USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 837 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 34 TYR OH : rot 15:sc= 1.01 USER MOD Set 1.2: A 42 SER OG : rot 73:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00125 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 74:sc= 1.07 USER MOD Single : A 8 MET CE :methyl 168:sc=-0.00144 (180deg=-0.17) USER MOD Single : A 9 MET CE :methyl -129:sc= -1.5 (180deg=-3.06!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0321 K(o=-0.032,f=-1.3) USER MOD Single : A 44 SER OG : rot 7:sc= 0.245 USER MOD Single : A 45 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.52) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 32:sc= -0.201 USER MOD Single : A 56 THR OG1 : rot -21:sc= 0.674 USER MOD Single : A 62 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.7!) USER MOD Single : A 64 HIS : no HD1:sc= -1.85! C(o=-1.9!,f=-2.1!) USER MOD Single : A 66 MET CE :methyl -118:sc= -1.12 (180deg=-4.13!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 109:sc= 1.03 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 85 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.39) USER MOD Single : A 86 THR OG1 : rot 145:sc= 0.0181 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0273) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 98 THR OG1 : rot 38:sc= 0.599 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.0359 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.790 2.485 -1.158 1.00 0.00 N ATOM 2 CA GLY A 1 -26.438 2.997 -1.284 1.00 0.00 C ATOM 3 C GLY A 1 -26.039 3.229 -2.728 1.00 0.00 C ATOM 4 O GLY A 1 -25.875 2.279 -3.494 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.015 2.343 -0.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.459 3.166 -1.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.866 1.578 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.354 3.933 -0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.742 2.294 -0.826 1.00 0.00 H new ATOM 8 N SER A 2 -25.883 4.495 -3.102 1.00 0.00 N ATOM 9 CA SER A 2 -25.506 4.849 -4.465 1.00 0.00 C ATOM 10 C SER A 2 -24.596 6.073 -4.477 1.00 0.00 C ATOM 11 O SER A 2 -24.866 7.068 -3.804 1.00 0.00 O ATOM 12 CB SER A 2 -26.754 5.119 -5.308 1.00 0.00 C ATOM 13 OG SER A 2 -27.669 4.041 -5.225 1.00 0.00 O ATOM 0 H SER A 2 -26.012 5.293 -2.480 1.00 0.00 H new ATOM 0 HA SER A 2 -24.961 4.009 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.235 6.036 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.467 5.277 -6.348 1.00 0.00 H new ATOM 0 HG SER A 2 -28.458 4.239 -5.771 1.00 0.00 H new ATOM 19 N SER A 3 -23.515 5.992 -5.246 1.00 0.00 N ATOM 20 CA SER A 3 -22.561 7.090 -5.343 1.00 0.00 C ATOM 21 C SER A 3 -22.493 7.626 -6.770 1.00 0.00 C ATOM 22 O SER A 3 -21.722 7.134 -7.593 1.00 0.00 O ATOM 23 CB SER A 3 -21.174 6.631 -4.892 1.00 0.00 C ATOM 24 OG SER A 3 -21.223 6.051 -3.600 1.00 0.00 O ATOM 0 H SER A 3 -23.278 5.177 -5.811 1.00 0.00 H new ATOM 0 HA SER A 3 -22.901 7.892 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.778 5.907 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.490 7.480 -4.887 1.00 0.00 H new ATOM 0 HG SER A 3 -20.324 5.764 -3.336 1.00 0.00 H new ATOM 30 N GLY A 4 -23.307 8.638 -7.056 1.00 0.00 N ATOM 31 CA GLY A 4 -23.324 9.224 -8.383 1.00 0.00 C ATOM 32 C GLY A 4 -22.654 10.583 -8.426 1.00 0.00 C ATOM 33 O GLY A 4 -23.274 11.577 -8.803 1.00 0.00 O ATOM 0 H GLY A 4 -23.955 9.062 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.822 8.553 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.356 9.320 -8.721 1.00 0.00 H new ATOM 37 N SER A 5 -21.383 10.627 -8.036 1.00 0.00 N ATOM 38 CA SER A 5 -20.630 11.875 -8.026 1.00 0.00 C ATOM 39 C SER A 5 -19.137 11.610 -8.200 1.00 0.00 C ATOM 40 O SER A 5 -18.637 10.550 -7.827 1.00 0.00 O ATOM 41 CB SER A 5 -20.876 12.634 -6.721 1.00 0.00 C ATOM 42 OG SER A 5 -20.216 12.007 -5.634 1.00 0.00 O ATOM 0 H SER A 5 -20.854 9.813 -7.723 1.00 0.00 H new ATOM 0 HA SER A 5 -20.973 12.484 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.523 13.660 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.946 12.683 -6.521 1.00 0.00 H new ATOM 0 HG SER A 5 -20.387 12.512 -4.812 1.00 0.00 H new ATOM 48 N SER A 6 -18.433 12.583 -8.769 1.00 0.00 N ATOM 49 CA SER A 6 -16.998 12.455 -8.997 1.00 0.00 C ATOM 50 C SER A 6 -16.383 13.803 -9.360 1.00 0.00 C ATOM 51 O SER A 6 -16.996 14.610 -10.057 1.00 0.00 O ATOM 52 CB SER A 6 -16.725 11.441 -10.110 1.00 0.00 C ATOM 53 OG SER A 6 -15.446 10.850 -9.959 1.00 0.00 O ATOM 0 H SER A 6 -18.832 13.468 -9.081 1.00 0.00 H new ATOM 0 HA SER A 6 -16.539 12.103 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.491 10.666 -10.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.789 11.935 -11.080 1.00 0.00 H new ATOM 0 HG SER A 6 -15.464 10.217 -9.211 1.00 0.00 H new ATOM 59 N GLY A 7 -15.165 14.039 -8.881 1.00 0.00 N ATOM 60 CA GLY A 7 -14.486 15.290 -9.165 1.00 0.00 C ATOM 61 C GLY A 7 -13.006 15.232 -8.843 1.00 0.00 C ATOM 62 O GLY A 7 -12.605 15.427 -7.696 1.00 0.00 O ATOM 0 H GLY A 7 -14.637 13.386 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.616 15.540 -10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.949 16.090 -8.588 1.00 0.00 H new ATOM 66 N MET A 8 -12.191 14.961 -9.858 1.00 0.00 N ATOM 67 CA MET A 8 -10.747 14.877 -9.676 1.00 0.00 C ATOM 68 C MET A 8 -10.401 14.076 -8.425 1.00 0.00 C ATOM 69 O MET A 8 -9.472 14.418 -7.695 1.00 0.00 O ATOM 70 CB MET A 8 -10.141 16.279 -9.582 1.00 0.00 C ATOM 71 CG MET A 8 -9.728 16.855 -10.926 1.00 0.00 C ATOM 72 SD MET A 8 -11.104 16.963 -12.087 1.00 0.00 S ATOM 73 CE MET A 8 -12.070 18.276 -11.345 1.00 0.00 C ATOM 0 H MET A 8 -12.506 14.796 -10.814 1.00 0.00 H new ATOM 0 HA MET A 8 -10.327 14.364 -10.541 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.865 16.948 -9.116 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.270 16.246 -8.927 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.305 17.848 -10.777 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.942 16.235 -11.357 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.835 18.607 -12.048 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.547 17.908 -10.436 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.417 19.113 -11.099 1.00 0.00 H new ATOM 83 N MET A 9 -11.156 13.009 -8.185 1.00 0.00 N ATOM 84 CA MET A 9 -10.928 12.159 -7.022 1.00 0.00 C ATOM 85 C MET A 9 -9.779 11.188 -7.275 1.00 0.00 C ATOM 86 O MET A 9 -9.957 10.159 -7.928 1.00 0.00 O ATOM 87 CB MET A 9 -12.200 11.383 -6.673 1.00 0.00 C ATOM 88 CG MET A 9 -13.396 12.275 -6.386 1.00 0.00 C ATOM 89 SD MET A 9 -13.441 12.846 -4.676 1.00 0.00 S ATOM 90 CE MET A 9 -12.430 14.321 -4.786 1.00 0.00 C ATOM 0 H MET A 9 -11.930 12.713 -8.779 1.00 0.00 H new ATOM 0 HA MET A 9 -10.660 12.800 -6.182 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.446 10.714 -7.498 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.007 10.757 -5.802 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.370 13.137 -7.052 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.313 11.729 -6.607 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.661 14.293 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.958 14.366 -5.768 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.055 15.202 -4.643 1.00 0.00 H new ATOM 100 N ILE A 10 -8.603 11.521 -6.755 1.00 0.00 N ATOM 101 CA ILE A 10 -7.426 10.678 -6.925 1.00 0.00 C ATOM 102 C ILE A 10 -7.646 9.299 -6.312 1.00 0.00 C ATOM 103 O ILE A 10 -7.254 8.283 -6.887 1.00 0.00 O ATOM 104 CB ILE A 10 -6.179 11.318 -6.288 1.00 0.00 C ATOM 105 CG1 ILE A 10 -5.643 12.440 -7.180 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.106 10.265 -6.051 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.523 13.671 -7.195 1.00 0.00 C ATOM 0 H ILE A 10 -8.440 12.369 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.263 10.575 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.460 11.746 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.646 12.720 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.538 12.065 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.231 10.733 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.492 9.496 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.826 9.811 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.083 14.425 -7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.514 13.406 -7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.608 14.070 -6.184 1.00 0.00 H new ATOM 119 N ARG A 11 -8.275 9.271 -5.142 1.00 0.00 N ATOM 120 CA ARG A 11 -8.547 8.016 -4.450 1.00 0.00 C ATOM 121 C ARG A 11 -9.139 6.985 -5.407 1.00 0.00 C ATOM 122 O ARG A 11 -8.844 5.795 -5.311 1.00 0.00 O ATOM 123 CB ARG A 11 -9.505 8.251 -3.281 1.00 0.00 C ATOM 124 CG ARG A 11 -10.666 9.171 -3.620 1.00 0.00 C ATOM 125 CD ARG A 11 -11.898 8.843 -2.791 1.00 0.00 C ATOM 126 NE ARG A 11 -12.988 9.783 -3.034 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.239 9.576 -2.639 1.00 0.00 C ATOM 128 NH1 ARG A 11 -14.556 8.468 -1.984 1.00 0.00 N ATOM 129 NH2 ARG A 11 -15.176 10.479 -2.898 1.00 0.00 N ATOM 0 H ARG A 11 -8.606 10.103 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.603 7.630 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.899 7.291 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.948 8.676 -2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.374 10.207 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.905 9.082 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.233 7.832 -3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.637 8.857 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.777 10.646 -3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.838 7.772 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.518 8.312 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.936 11.333 -3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.136 10.319 -2.594 1.00 0.00 H new ATOM 143 N GLU A 12 -9.975 7.453 -6.329 1.00 0.00 N ATOM 144 CA GLU A 12 -10.609 6.571 -7.302 1.00 0.00 C ATOM 145 C GLU A 12 -9.563 5.874 -8.167 1.00 0.00 C ATOM 146 O GLU A 12 -9.399 4.656 -8.101 1.00 0.00 O ATOM 147 CB GLU A 12 -11.575 7.361 -8.187 1.00 0.00 C ATOM 148 CG GLU A 12 -12.874 7.731 -7.491 1.00 0.00 C ATOM 149 CD GLU A 12 -13.939 8.209 -8.460 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.882 7.816 -9.644 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.828 8.975 -8.034 1.00 0.00 O ATOM 0 H GLU A 12 -10.229 8.437 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.168 5.811 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.082 8.272 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.804 6.773 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.248 6.866 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.679 8.513 -6.757 1.00 0.00 H new ATOM 158 N ARG A 13 -8.858 6.656 -8.978 1.00 0.00 N ATOM 159 CA ARG A 13 -7.830 6.115 -9.858 1.00 0.00 C ATOM 160 C ARG A 13 -6.902 5.174 -9.095 1.00 0.00 C ATOM 161 O ARG A 13 -6.407 4.192 -9.648 1.00 0.00 O ATOM 162 CB ARG A 13 -7.019 7.249 -10.488 1.00 0.00 C ATOM 163 CG ARG A 13 -7.859 8.220 -11.301 1.00 0.00 C ATOM 164 CD ARG A 13 -8.334 9.391 -10.454 1.00 0.00 C ATOM 165 NE ARG A 13 -8.448 10.620 -11.234 1.00 0.00 N ATOM 166 CZ ARG A 13 -9.515 10.932 -11.961 1.00 0.00 C ATOM 167 NH1 ARG A 13 -10.554 10.110 -12.007 1.00 0.00 N ATOM 168 NH2 ARG A 13 -9.545 12.070 -12.643 1.00 0.00 N ATOM 0 H ARG A 13 -8.980 7.667 -9.044 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.324 5.549 -10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.505 7.799 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.250 6.821 -11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.275 8.592 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.720 7.698 -11.717 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.301 9.151 -10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.638 9.548 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.666 11.275 -11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.536 9.235 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.372 10.353 -12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.748 12.706 -12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.365 12.309 -13.201 1.00 0.00 H new ATOM 182 N ILE A 14 -6.670 5.482 -7.824 1.00 0.00 N ATOM 183 CA ILE A 14 -5.803 4.664 -6.986 1.00 0.00 C ATOM 184 C ILE A 14 -6.315 3.231 -6.899 1.00 0.00 C ATOM 185 O ILE A 14 -5.656 2.297 -7.355 1.00 0.00 O ATOM 186 CB ILE A 14 -5.685 5.243 -5.563 1.00 0.00 C ATOM 187 CG1 ILE A 14 -4.890 6.550 -5.585 1.00 0.00 C ATOM 188 CG2 ILE A 14 -5.029 4.233 -4.633 1.00 0.00 C ATOM 189 CD1 ILE A 14 -4.642 7.129 -4.210 1.00 0.00 C ATOM 0 H ILE A 14 -7.071 6.293 -7.352 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.818 4.667 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.686 5.455 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.932 6.375 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.427 7.283 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.953 4.657 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.632 3.325 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.032 3.992 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.073 8.054 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.596 7.336 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.078 6.414 -3.611 1.00 0.00 H new ATOM 201 N GLU A 15 -7.496 3.065 -6.311 1.00 0.00 N ATOM 202 CA GLU A 15 -8.097 1.744 -6.165 1.00 0.00 C ATOM 203 C GLU A 15 -8.239 1.058 -7.521 1.00 0.00 C ATOM 204 O GLU A 15 -7.778 -0.067 -7.710 1.00 0.00 O ATOM 205 CB GLU A 15 -9.466 1.854 -5.491 1.00 0.00 C ATOM 206 CG GLU A 15 -9.390 2.051 -3.987 1.00 0.00 C ATOM 207 CD GLU A 15 -10.690 2.564 -3.399 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.006 3.755 -3.604 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.392 1.774 -2.734 1.00 0.00 O ATOM 0 H GLU A 15 -8.055 3.828 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.439 1.141 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.012 2.688 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.039 0.951 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.130 1.104 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.589 2.754 -3.756 1.00 0.00 H new ATOM 216 N GLU A 16 -8.881 1.745 -8.461 1.00 0.00 N ATOM 217 CA GLU A 16 -9.085 1.202 -9.799 1.00 0.00 C ATOM 218 C GLU A 16 -7.886 0.365 -10.234 1.00 0.00 C ATOM 219 O GLU A 16 -8.036 -0.643 -10.926 1.00 0.00 O ATOM 220 CB GLU A 16 -9.323 2.333 -10.802 1.00 0.00 C ATOM 221 CG GLU A 16 -10.759 2.829 -10.830 1.00 0.00 C ATOM 222 CD GLU A 16 -11.118 3.501 -12.141 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.696 2.994 -13.202 1.00 0.00 O ATOM 224 OE2 GLU A 16 -11.821 4.533 -12.107 1.00 0.00 O ATOM 0 H GLU A 16 -9.268 2.678 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.965 0.559 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.664 3.167 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.047 1.988 -11.798 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.433 1.989 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.913 3.532 -10.011 1.00 0.00 H new ATOM 231 N LYS A 17 -6.696 0.789 -9.825 1.00 0.00 N ATOM 232 CA LYS A 17 -5.469 0.080 -10.171 1.00 0.00 C ATOM 233 C LYS A 17 -5.216 -1.073 -9.205 1.00 0.00 C ATOM 234 O LYS A 17 -5.272 -2.242 -9.589 1.00 0.00 O ATOM 235 CB LYS A 17 -4.279 1.041 -10.157 1.00 0.00 C ATOM 236 CG LYS A 17 -4.115 1.824 -11.448 1.00 0.00 C ATOM 237 CD LYS A 17 -2.736 2.456 -11.546 1.00 0.00 C ATOM 238 CE LYS A 17 -2.474 3.008 -12.939 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.257 4.247 -13.201 1.00 0.00 N ATOM 0 H LYS A 17 -6.554 1.621 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.586 -0.329 -11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.398 1.741 -9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.367 0.475 -9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.274 1.162 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.877 2.601 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.649 3.258 -10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.976 1.715 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.411 3.220 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.729 2.253 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.051 4.592 -14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.273 4.040 -13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.995 4.976 -12.507 1.00 0.00 H new ATOM 253 N LEU A 18 -4.940 -0.737 -7.949 1.00 0.00 N ATOM 254 CA LEU A 18 -4.680 -1.745 -6.927 1.00 0.00 C ATOM 255 C LEU A 18 -5.547 -2.980 -7.147 1.00 0.00 C ATOM 256 O LEU A 18 -5.118 -4.106 -6.894 1.00 0.00 O ATOM 257 CB LEU A 18 -4.940 -1.166 -5.535 1.00 0.00 C ATOM 258 CG LEU A 18 -4.301 0.192 -5.242 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.679 0.670 -3.849 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.789 0.112 -5.390 1.00 0.00 C ATOM 0 H LEU A 18 -4.891 0.225 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.634 -2.041 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.017 -1.075 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.582 -1.881 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.679 0.914 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.215 1.638 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.762 0.767 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.331 -0.051 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.351 1.087 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.393 -0.624 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.538 -0.185 -6.408 1.00 0.00 H new ATOM 272 N ARG A 19 -6.769 -2.762 -7.622 1.00 0.00 N ATOM 273 CA ARG A 19 -7.697 -3.857 -7.877 1.00 0.00 C ATOM 274 C ARG A 19 -7.014 -4.978 -8.656 1.00 0.00 C ATOM 275 O ARG A 19 -6.913 -6.107 -8.179 1.00 0.00 O ATOM 276 CB ARG A 19 -8.915 -3.352 -8.652 1.00 0.00 C ATOM 277 CG ARG A 19 -10.019 -2.805 -7.762 1.00 0.00 C ATOM 278 CD ARG A 19 -11.368 -2.838 -8.464 1.00 0.00 C ATOM 279 NE ARG A 19 -11.495 -1.772 -9.454 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.661 -1.333 -9.916 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.794 -1.866 -9.479 1.00 0.00 N ATOM 282 NH2 ARG A 19 -12.695 -0.359 -10.816 1.00 0.00 N ATOM 0 H ARG A 19 -7.139 -1.837 -7.838 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.025 -4.253 -6.916 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.597 -2.572 -9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.316 -4.167 -9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.071 -3.390 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.782 -1.781 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.499 -3.804 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.164 -2.743 -7.725 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.642 -1.341 -9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.772 -2.615 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.688 -1.527 -9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.826 0.054 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.591 -0.023 -11.170 1.00 0.00 H new ATOM 296 N ALA A 20 -6.546 -4.656 -9.858 1.00 0.00 N ATOM 297 CA ALA A 20 -5.871 -5.634 -10.702 1.00 0.00 C ATOM 298 C ALA A 20 -4.376 -5.674 -10.408 1.00 0.00 C ATOM 299 O ALA A 20 -3.698 -6.653 -10.720 1.00 0.00 O ATOM 300 CB ALA A 20 -6.114 -5.320 -12.171 1.00 0.00 C ATOM 0 H ALA A 20 -6.622 -3.725 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.285 -6.617 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.604 -6.058 -12.790 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.184 -5.350 -12.377 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.728 -4.326 -12.399 1.00 0.00 H new ATOM 306 N ALA A 21 -3.867 -4.604 -9.807 1.00 0.00 N ATOM 307 CA ALA A 21 -2.451 -4.518 -9.470 1.00 0.00 C ATOM 308 C ALA A 21 -2.039 -5.652 -8.538 1.00 0.00 C ATOM 309 O ALA A 21 -0.958 -6.225 -8.681 1.00 0.00 O ATOM 310 CB ALA A 21 -2.141 -3.171 -8.834 1.00 0.00 C ATOM 0 H ALA A 21 -4.414 -3.784 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.877 -4.613 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.080 -3.121 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.389 -2.373 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.731 -3.054 -7.925 1.00 0.00 H new ATOM 316 N PHE A 22 -2.906 -5.972 -7.583 1.00 0.00 N ATOM 317 CA PHE A 22 -2.630 -7.037 -6.626 1.00 0.00 C ATOM 318 C PHE A 22 -3.842 -7.951 -6.466 1.00 0.00 C ATOM 319 O PHE A 22 -3.708 -9.174 -6.431 1.00 0.00 O ATOM 320 CB PHE A 22 -2.242 -6.446 -5.269 1.00 0.00 C ATOM 321 CG PHE A 22 -1.016 -5.579 -5.323 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.249 -6.138 -5.240 1.00 0.00 C ATOM 323 CD2 PHE A 22 -1.129 -4.204 -5.455 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.379 -5.344 -5.289 1.00 0.00 C ATOM 325 CE2 PHE A 22 -0.003 -3.404 -5.505 1.00 0.00 C ATOM 326 CZ PHE A 22 1.252 -3.975 -5.421 1.00 0.00 C ATOM 0 H PHE A 22 -3.805 -5.509 -7.451 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.798 -7.628 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.076 -5.859 -4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.072 -7.259 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.353 -7.208 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.108 -3.753 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.359 -5.793 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.104 -2.334 -5.610 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.133 -3.352 -5.459 1.00 0.00 H new ATOM 336 N GLN A 23 -5.022 -7.348 -6.369 1.00 0.00 N ATOM 337 CA GLN A 23 -6.257 -8.107 -6.212 1.00 0.00 C ATOM 338 C GLN A 23 -6.376 -8.667 -4.798 1.00 0.00 C ATOM 339 O GLN A 23 -6.592 -9.861 -4.594 1.00 0.00 O ATOM 340 CB GLN A 23 -6.313 -9.247 -7.231 1.00 0.00 C ATOM 341 CG GLN A 23 -5.845 -8.845 -8.620 1.00 0.00 C ATOM 342 CD GLN A 23 -5.610 -10.038 -9.525 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.251 -11.079 -9.378 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.688 -9.893 -10.470 1.00 0.00 N ATOM 0 H GLN A 23 -5.149 -6.336 -6.396 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.094 -7.431 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.697 -10.073 -6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.336 -9.617 -7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.589 -8.190 -9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.923 -8.270 -8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.180 -9.013 -10.556 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.488 -10.662 -11.109 1.00 0.00 H new ATOM 353 N PRO A 24 -6.230 -7.785 -3.798 1.00 0.00 N ATOM 354 CA PRO A 24 -6.317 -8.168 -2.386 1.00 0.00 C ATOM 355 C PRO A 24 -7.736 -8.549 -1.975 1.00 0.00 C ATOM 356 O PRO A 24 -8.611 -8.727 -2.822 1.00 0.00 O ATOM 357 CB PRO A 24 -5.868 -6.905 -1.647 1.00 0.00 C ATOM 358 CG PRO A 24 -6.170 -5.789 -2.586 1.00 0.00 C ATOM 359 CD PRO A 24 -5.970 -6.346 -3.969 1.00 0.00 C ATOM 0 HA PRO A 24 -5.711 -9.046 -2.164 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.404 -6.786 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.806 -6.944 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.191 -5.432 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.510 -4.940 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.656 -5.896 -4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.960 -6.161 -4.335 1.00 0.00 H new ATOM 367 N VAL A 25 -7.956 -8.672 -0.670 1.00 0.00 N ATOM 368 CA VAL A 25 -9.269 -9.030 -0.147 1.00 0.00 C ATOM 369 C VAL A 25 -10.011 -7.801 0.364 1.00 0.00 C ATOM 370 O VAL A 25 -11.240 -7.747 0.333 1.00 0.00 O ATOM 371 CB VAL A 25 -9.157 -10.060 0.994 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.409 -9.465 2.178 1.00 0.00 C ATOM 373 CG2 VAL A 25 -10.537 -10.543 1.412 1.00 0.00 C ATOM 0 H VAL A 25 -7.242 -8.529 0.044 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.828 -9.471 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.591 -10.919 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.339 -10.206 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.406 -9.173 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.945 -8.589 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.439 -11.270 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.130 -9.696 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.032 -11.010 0.561 1.00 0.00 H new ATOM 383 N PHE A 26 -9.255 -6.814 0.835 1.00 0.00 N ATOM 384 CA PHE A 26 -9.841 -5.583 1.354 1.00 0.00 C ATOM 385 C PHE A 26 -9.312 -4.368 0.599 1.00 0.00 C ATOM 386 O PHE A 26 -8.148 -4.332 0.195 1.00 0.00 O ATOM 387 CB PHE A 26 -9.541 -5.441 2.847 1.00 0.00 C ATOM 388 CG PHE A 26 -10.423 -4.445 3.544 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.651 -4.828 4.060 1.00 0.00 C ATOM 390 CD2 PHE A 26 -10.026 -3.124 3.682 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.465 -3.914 4.701 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.836 -2.206 4.323 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.057 -2.601 4.832 1.00 0.00 C ATOM 0 H PHE A 26 -8.236 -6.843 0.868 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.920 -5.635 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.655 -6.413 3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.500 -5.143 2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.975 -5.853 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.073 -2.809 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.419 -4.226 5.099 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.514 -1.180 4.426 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.692 -1.885 5.332 1.00 0.00 H new ATOM 403 N LEU A 27 -10.173 -3.374 0.411 1.00 0.00 N ATOM 404 CA LEU A 27 -9.793 -2.156 -0.296 1.00 0.00 C ATOM 405 C LEU A 27 -10.705 -0.996 0.089 1.00 0.00 C ATOM 406 O LEU A 27 -11.917 -1.053 -0.115 1.00 0.00 O ATOM 407 CB LEU A 27 -9.848 -2.382 -1.808 1.00 0.00 C ATOM 408 CG LEU A 27 -8.870 -1.559 -2.646 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.438 -2.000 -2.382 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.202 -1.680 -4.126 1.00 0.00 C ATOM 0 H LEU A 27 -11.139 -3.388 0.738 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.772 -1.903 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.664 -3.438 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.860 -2.166 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.966 -0.512 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.756 -1.403 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.203 -1.861 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.328 -3.053 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.495 -1.087 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.135 -2.725 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.214 -1.315 -4.303 1.00 0.00 H new ATOM 422 N GLU A 28 -10.113 0.057 0.645 1.00 0.00 N ATOM 423 CA GLU A 28 -10.873 1.231 1.058 1.00 0.00 C ATOM 424 C GLU A 28 -9.965 2.452 1.177 1.00 0.00 C ATOM 425 O GLU A 28 -8.918 2.400 1.823 1.00 0.00 O ATOM 426 CB GLU A 28 -11.574 0.969 2.392 1.00 0.00 C ATOM 427 CG GLU A 28 -12.465 2.113 2.846 1.00 0.00 C ATOM 428 CD GLU A 28 -13.864 2.027 2.268 1.00 0.00 C ATOM 429 OE1 GLU A 28 -14.015 2.228 1.045 1.00 0.00 O ATOM 430 OE2 GLU A 28 -14.809 1.759 3.040 1.00 0.00 O ATOM 0 H GLU A 28 -9.110 0.121 0.820 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.625 1.433 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.175 0.064 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.821 0.780 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.525 2.112 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.012 3.060 2.552 1.00 0.00 H new ATOM 437 N VAL A 29 -10.375 3.550 0.550 1.00 0.00 N ATOM 438 CA VAL A 29 -9.600 4.785 0.586 1.00 0.00 C ATOM 439 C VAL A 29 -10.363 5.891 1.306 1.00 0.00 C ATOM 440 O VAL A 29 -11.594 5.910 1.310 1.00 0.00 O ATOM 441 CB VAL A 29 -9.241 5.263 -0.833 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.515 6.599 -0.778 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.399 4.219 -1.550 1.00 0.00 C ATOM 0 H VAL A 29 -11.239 3.610 0.011 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.681 4.567 1.131 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.164 5.401 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.269 6.921 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.157 7.343 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.598 6.491 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.155 4.574 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.479 4.047 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.959 3.287 -1.622 1.00 0.00 H new ATOM 453 N VAL A 30 -9.623 6.813 1.915 1.00 0.00 N ATOM 454 CA VAL A 30 -10.229 7.924 2.637 1.00 0.00 C ATOM 455 C VAL A 30 -9.751 9.263 2.088 1.00 0.00 C ATOM 456 O VAL A 30 -8.648 9.715 2.397 1.00 0.00 O ATOM 457 CB VAL A 30 -9.910 7.856 4.143 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.517 9.045 4.872 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.408 6.546 4.734 1.00 0.00 C ATOM 0 H VAL A 30 -8.603 6.812 1.922 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.307 7.841 2.497 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.828 7.897 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.281 8.980 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.107 9.969 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.599 9.039 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.174 6.515 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.487 6.472 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.920 5.711 4.231 1.00 0.00 H new ATOM 469 N ASP A 31 -10.587 9.894 1.271 1.00 0.00 N ATOM 470 CA ASP A 31 -10.251 11.183 0.678 1.00 0.00 C ATOM 471 C ASP A 31 -10.920 12.323 1.440 1.00 0.00 C ATOM 472 O ASP A 31 -12.104 12.252 1.768 1.00 0.00 O ATOM 473 CB ASP A 31 -10.673 11.219 -0.791 1.00 0.00 C ATOM 474 CG ASP A 31 -10.378 12.554 -1.446 1.00 0.00 C ATOM 475 OD1 ASP A 31 -9.185 12.888 -1.603 1.00 0.00 O ATOM 476 OD2 ASP A 31 -11.341 13.265 -1.802 1.00 0.00 O ATOM 0 H ASP A 31 -11.503 9.533 1.004 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.171 11.313 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.155 10.429 -1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.740 11.009 -0.865 1.00 0.00 H new ATOM 481 N GLU A 32 -10.153 13.372 1.720 1.00 0.00 N ATOM 482 CA GLU A 32 -10.672 14.526 2.446 1.00 0.00 C ATOM 483 C GLU A 32 -10.381 15.819 1.690 1.00 0.00 C ATOM 484 O GLU A 32 -9.242 16.083 1.306 1.00 0.00 O ATOM 485 CB GLU A 32 -10.061 14.592 3.847 1.00 0.00 C ATOM 486 CG GLU A 32 -8.556 14.804 3.846 1.00 0.00 C ATOM 487 CD GLU A 32 -7.921 14.486 5.186 1.00 0.00 C ATOM 488 OE1 GLU A 32 -7.696 13.290 5.466 1.00 0.00 O ATOM 489 OE2 GLU A 32 -7.650 15.433 5.953 1.00 0.00 O ATOM 0 H GLU A 32 -9.171 13.447 1.455 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.752 14.412 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.533 15.403 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.289 13.667 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.105 14.177 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.339 15.839 3.582 1.00 0.00 H new ATOM 496 N SER A 33 -11.420 16.622 1.481 1.00 0.00 N ATOM 497 CA SER A 33 -11.278 17.886 0.768 1.00 0.00 C ATOM 498 C SER A 33 -11.452 19.067 1.717 1.00 0.00 C ATOM 499 O SER A 33 -12.570 19.407 2.105 1.00 0.00 O ATOM 500 CB SER A 33 -12.301 17.973 -0.366 1.00 0.00 C ATOM 501 OG SER A 33 -11.849 18.838 -1.394 1.00 0.00 O ATOM 0 H SER A 33 -12.369 16.419 1.795 1.00 0.00 H new ATOM 0 HA SER A 33 -10.274 17.927 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.481 16.979 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.253 18.333 0.025 1.00 0.00 H new ATOM 0 HG SER A 33 -12.519 18.876 -2.108 1.00 0.00 H new ATOM 507 N TYR A 34 -10.339 19.689 2.088 1.00 0.00 N ATOM 508 CA TYR A 34 -10.366 20.832 2.994 1.00 0.00 C ATOM 509 C TYR A 34 -9.477 21.959 2.477 1.00 0.00 C ATOM 510 O TYR A 34 -8.258 21.930 2.645 1.00 0.00 O ATOM 511 CB TYR A 34 -9.913 20.411 4.393 1.00 0.00 C ATOM 512 CG TYR A 34 -8.437 20.099 4.483 1.00 0.00 C ATOM 513 CD1 TYR A 34 -7.941 18.866 4.074 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.537 21.035 4.978 1.00 0.00 C ATOM 515 CE1 TYR A 34 -6.593 18.576 4.155 1.00 0.00 C ATOM 516 CE2 TYR A 34 -6.187 20.754 5.061 1.00 0.00 C ATOM 517 CZ TYR A 34 -5.720 19.523 4.649 1.00 0.00 C ATOM 518 OH TYR A 34 -4.376 19.239 4.731 1.00 0.00 O ATOM 0 H TYR A 34 -9.406 19.421 1.775 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.391 21.198 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.151 21.208 5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.481 19.533 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.621 18.122 3.686 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.899 21.999 5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.224 17.613 3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.501 21.494 5.446 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.176 18.445 4.193 1.00 0.00 H new ATOM 528 N ARG A 35 -10.098 22.951 1.847 1.00 0.00 N ATOM 529 CA ARG A 35 -9.364 24.088 1.304 1.00 0.00 C ATOM 530 C ARG A 35 -9.797 25.386 1.978 1.00 0.00 C ATOM 531 O ARG A 35 -8.965 26.222 2.333 1.00 0.00 O ATOM 532 CB ARG A 35 -9.582 24.188 -0.207 1.00 0.00 C ATOM 533 CG ARG A 35 -11.044 24.306 -0.605 1.00 0.00 C ATOM 534 CD ARG A 35 -11.203 24.424 -2.113 1.00 0.00 C ATOM 535 NE ARG A 35 -10.980 25.790 -2.581 1.00 0.00 N ATOM 536 CZ ARG A 35 -11.486 26.271 -3.712 1.00 0.00 C ATOM 537 NH1 ARG A 35 -12.239 25.501 -4.485 1.00 0.00 N ATOM 538 NH2 ARG A 35 -11.238 27.524 -4.070 1.00 0.00 N ATOM 0 H ARG A 35 -11.107 22.990 1.700 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.303 23.932 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.040 25.054 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.154 23.308 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.591 23.434 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.484 25.178 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.500 23.753 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.204 24.102 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.405 26.408 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.431 24.537 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.626 25.872 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.659 28.119 -3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.626 27.893 -4.938 1.00 0.00 H new ATOM 552 N HIS A 36 -11.105 25.550 2.152 1.00 0.00 N ATOM 553 CA HIS A 36 -11.649 26.746 2.783 1.00 0.00 C ATOM 554 C HIS A 36 -12.065 26.459 4.223 1.00 0.00 C ATOM 555 O HIS A 36 -12.425 25.333 4.562 1.00 0.00 O ATOM 556 CB HIS A 36 -12.847 27.268 1.989 1.00 0.00 C ATOM 557 CG HIS A 36 -14.121 26.533 2.274 1.00 0.00 C ATOM 558 ND1 HIS A 36 -15.164 27.084 2.988 1.00 0.00 N ATOM 559 CD2 HIS A 36 -14.517 25.285 1.934 1.00 0.00 C ATOM 560 CE1 HIS A 36 -16.146 26.205 3.077 1.00 0.00 C ATOM 561 NE2 HIS A 36 -15.779 25.105 2.445 1.00 0.00 N ATOM 0 H HIS A 36 -11.808 24.869 1.864 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.869 27.508 2.793 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.989 28.325 2.214 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.626 27.196 0.924 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.947 24.564 1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -17.089 26.360 3.581 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.341 24.259 2.352 1.00 0.00 H new ATOM 570 N ASN A 37 -12.011 27.486 5.065 1.00 0.00 N ATOM 571 CA ASN A 37 -12.380 27.344 6.469 1.00 0.00 C ATOM 572 C ASN A 37 -11.567 26.238 7.136 1.00 0.00 C ATOM 573 O ASN A 37 -12.121 25.352 7.788 1.00 0.00 O ATOM 574 CB ASN A 37 -13.875 27.041 6.596 1.00 0.00 C ATOM 575 CG ASN A 37 -14.440 27.475 7.935 1.00 0.00 C ATOM 576 OD1 ASN A 37 -13.706 27.920 8.817 1.00 0.00 O ATOM 577 ND2 ASN A 37 -15.753 27.348 8.091 1.00 0.00 N ATOM 0 H ASN A 37 -11.715 28.425 4.800 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.162 28.285 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -14.415 27.547 5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -14.039 25.971 6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.191 27.625 8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.323 26.974 7.332 1.00 0.00 H new ATOM 584 N VAL A 38 -10.250 26.297 6.969 1.00 0.00 N ATOM 585 CA VAL A 38 -9.360 25.302 7.556 1.00 0.00 C ATOM 586 C VAL A 38 -8.223 25.967 8.324 1.00 0.00 C ATOM 587 O VAL A 38 -7.806 27.085 8.020 1.00 0.00 O ATOM 588 CB VAL A 38 -8.764 24.377 6.478 1.00 0.00 C ATOM 589 CG1 VAL A 38 -9.802 24.061 5.412 1.00 0.00 C ATOM 590 CG2 VAL A 38 -7.526 25.009 5.858 1.00 0.00 C ATOM 0 H VAL A 38 -9.776 27.023 6.432 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.960 24.707 8.244 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.468 23.441 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.363 23.407 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.656 23.563 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.132 24.986 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.118 24.342 5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.794 25.960 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.777 25.178 6.632 1.00 0.00 H new ATOM 600 N PRO A 39 -7.708 25.265 9.344 1.00 0.00 N ATOM 601 CA PRO A 39 -6.611 25.767 10.176 1.00 0.00 C ATOM 602 C PRO A 39 -5.288 25.825 9.420 1.00 0.00 C ATOM 603 O PRO A 39 -5.259 25.726 8.194 1.00 0.00 O ATOM 604 CB PRO A 39 -6.532 24.745 11.313 1.00 0.00 C ATOM 605 CG PRO A 39 -7.096 23.493 10.737 1.00 0.00 C ATOM 606 CD PRO A 39 -8.156 23.926 9.762 1.00 0.00 C ATOM 0 HA PRO A 39 -6.790 26.788 10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.504 24.600 11.644 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.103 25.074 12.181 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.322 22.910 10.238 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.519 22.860 11.517 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.226 23.243 8.915 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.141 23.959 10.228 1.00 0.00 H new ATOM 614 N ALA A 40 -4.196 25.986 10.159 1.00 0.00 N ATOM 615 CA ALA A 40 -2.870 26.055 9.558 1.00 0.00 C ATOM 616 C ALA A 40 -2.038 24.829 9.921 1.00 0.00 C ATOM 617 O ALA A 40 -1.344 24.817 10.937 1.00 0.00 O ATOM 618 CB ALA A 40 -2.157 27.327 9.994 1.00 0.00 C ATOM 0 H ALA A 40 -4.203 26.071 11.175 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.990 26.073 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.168 27.365 9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.736 28.195 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.056 27.334 11.079 1.00 0.00 H new ATOM 624 N GLY A 41 -2.113 23.799 9.084 1.00 0.00 N ATOM 625 CA GLY A 41 -1.363 22.583 9.335 1.00 0.00 C ATOM 626 C GLY A 41 -1.696 21.481 8.349 1.00 0.00 C ATOM 627 O GLY A 41 -2.802 20.942 8.361 1.00 0.00 O ATOM 0 H GLY A 41 -2.680 23.785 8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.296 22.801 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.570 22.235 10.347 1.00 0.00 H new ATOM 631 N SER A 42 -0.738 21.148 7.490 1.00 0.00 N ATOM 632 CA SER A 42 -0.937 20.107 6.488 1.00 0.00 C ATOM 633 C SER A 42 0.255 19.156 6.448 1.00 0.00 C ATOM 634 O SER A 42 1.327 19.508 5.957 1.00 0.00 O ATOM 635 CB SER A 42 -1.151 20.733 5.108 1.00 0.00 C ATOM 636 OG SER A 42 -1.713 19.796 4.205 1.00 0.00 O ATOM 0 H SER A 42 0.184 21.584 7.468 1.00 0.00 H new ATOM 0 HA SER A 42 -1.825 19.537 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.808 21.598 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.200 21.094 4.717 1.00 0.00 H new ATOM 0 HG SER A 42 -2.655 19.650 4.430 1.00 0.00 H new ATOM 642 N GLU A 43 0.058 17.949 6.969 1.00 0.00 N ATOM 643 CA GLU A 43 1.117 16.946 6.994 1.00 0.00 C ATOM 644 C GLU A 43 0.673 15.668 6.289 1.00 0.00 C ATOM 645 O GLU A 43 1.401 15.116 5.465 1.00 0.00 O ATOM 646 CB GLU A 43 1.520 16.633 8.436 1.00 0.00 C ATOM 647 CG GLU A 43 0.384 16.073 9.277 1.00 0.00 C ATOM 648 CD GLU A 43 0.809 15.763 10.699 1.00 0.00 C ATOM 649 OE1 GLU A 43 0.909 16.710 11.507 1.00 0.00 O ATOM 650 OE2 GLU A 43 1.043 14.575 11.004 1.00 0.00 O ATOM 0 H GLU A 43 -0.824 17.642 7.379 1.00 0.00 H new ATOM 0 HA GLU A 43 1.979 17.352 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.342 15.917 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.894 17.543 8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.437 16.790 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.004 15.165 8.809 1.00 0.00 H new ATOM 657 N SER A 44 -0.528 15.203 6.620 1.00 0.00 N ATOM 658 CA SER A 44 -1.068 13.988 6.022 1.00 0.00 C ATOM 659 C SER A 44 -2.592 14.044 5.961 1.00 0.00 C ATOM 660 O SER A 44 -3.266 14.054 6.991 1.00 0.00 O ATOM 661 CB SER A 44 -0.624 12.761 6.821 1.00 0.00 C ATOM 662 OG SER A 44 0.752 12.490 6.616 1.00 0.00 O ATOM 0 H SER A 44 -1.145 15.649 7.299 1.00 0.00 H new ATOM 0 HA SER A 44 -0.683 13.910 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.811 12.927 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.217 11.896 6.524 1.00 0.00 H new ATOM 0 HG SER A 44 1.153 13.213 6.089 1.00 0.00 H new ATOM 668 N HIS A 45 -3.128 14.080 4.745 1.00 0.00 N ATOM 669 CA HIS A 45 -4.572 14.134 4.547 1.00 0.00 C ATOM 670 C HIS A 45 -5.026 13.059 3.565 1.00 0.00 C ATOM 671 O HIS A 45 -5.829 13.321 2.670 1.00 0.00 O ATOM 672 CB HIS A 45 -4.986 15.515 4.037 1.00 0.00 C ATOM 673 CG HIS A 45 -4.429 15.847 2.687 1.00 0.00 C ATOM 674 ND1 HIS A 45 -5.201 15.898 1.546 1.00 0.00 N ATOM 675 CD2 HIS A 45 -3.167 16.147 2.299 1.00 0.00 C ATOM 676 CE1 HIS A 45 -4.438 16.213 0.514 1.00 0.00 C ATOM 677 NE2 HIS A 45 -3.199 16.370 0.945 1.00 0.00 N ATOM 0 H HIS A 45 -2.584 14.073 3.882 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.053 13.950 5.508 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.074 15.566 3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.659 16.270 4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.297 16.201 2.936 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.771 16.323 -0.508 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.397 16.617 0.366 1.00 0.00 H new ATOM 686 N PHE A 46 -4.507 11.848 3.740 1.00 0.00 N ATOM 687 CA PHE A 46 -4.859 10.733 2.868 1.00 0.00 C ATOM 688 C PHE A 46 -4.527 9.399 3.531 1.00 0.00 C ATOM 689 O PHE A 46 -3.461 9.235 4.125 1.00 0.00 O ATOM 690 CB PHE A 46 -4.121 10.849 1.533 1.00 0.00 C ATOM 691 CG PHE A 46 -4.874 10.255 0.377 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.776 11.020 -0.345 1.00 0.00 C ATOM 693 CD2 PHE A 46 -4.682 8.932 0.013 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.471 10.476 -1.408 1.00 0.00 C ATOM 695 CE2 PHE A 46 -5.374 8.383 -1.049 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.269 9.157 -1.762 1.00 0.00 C ATOM 0 H PHE A 46 -3.842 11.614 4.477 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.933 10.772 2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.925 11.901 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.153 10.355 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.938 12.053 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.983 8.323 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.172 11.083 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.216 7.350 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.809 8.731 -2.594 1.00 0.00 H new ATOM 706 N LYS A 47 -5.449 8.447 3.426 1.00 0.00 N ATOM 707 CA LYS A 47 -5.256 7.127 4.013 1.00 0.00 C ATOM 708 C LYS A 47 -5.839 6.041 3.114 1.00 0.00 C ATOM 709 O LYS A 47 -6.931 6.194 2.567 1.00 0.00 O ATOM 710 CB LYS A 47 -5.907 7.062 5.397 1.00 0.00 C ATOM 711 CG LYS A 47 -5.692 5.737 6.108 1.00 0.00 C ATOM 712 CD LYS A 47 -6.850 5.409 7.037 1.00 0.00 C ATOM 713 CE LYS A 47 -7.938 4.627 6.316 1.00 0.00 C ATOM 714 NZ LYS A 47 -9.114 4.375 7.194 1.00 0.00 N ATOM 0 H LYS A 47 -6.338 8.566 2.939 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.184 6.954 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.507 7.866 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.977 7.241 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.579 4.942 5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.765 5.776 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.485 4.829 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.269 6.332 7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.257 5.179 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.533 3.676 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.833 3.840 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.815 3.826 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.516 5.282 7.504 1.00 0.00 H new ATOM 728 N VAL A 48 -5.104 4.943 2.967 1.00 0.00 N ATOM 729 CA VAL A 48 -5.550 3.831 2.137 1.00 0.00 C ATOM 730 C VAL A 48 -5.373 2.500 2.859 1.00 0.00 C ATOM 731 O VAL A 48 -4.306 2.214 3.404 1.00 0.00 O ATOM 732 CB VAL A 48 -4.782 3.784 0.802 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.934 2.420 0.146 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.262 4.888 -0.127 1.00 0.00 C ATOM 0 H VAL A 48 -4.197 4.800 3.412 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.609 3.993 1.934 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.724 3.946 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.385 2.406 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.537 1.651 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.989 2.224 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.709 4.840 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.326 4.759 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.096 5.857 0.343 1.00 0.00 H new ATOM 744 N VAL A 49 -6.425 1.688 2.860 1.00 0.00 N ATOM 745 CA VAL A 49 -6.386 0.386 3.514 1.00 0.00 C ATOM 746 C VAL A 49 -6.337 -0.742 2.490 1.00 0.00 C ATOM 747 O VAL A 49 -7.181 -0.820 1.595 1.00 0.00 O ATOM 748 CB VAL A 49 -7.607 0.181 4.430 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.448 -1.086 5.256 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.808 1.392 5.329 1.00 0.00 C ATOM 0 H VAL A 49 -7.316 1.909 2.415 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.480 0.363 4.119 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.493 0.070 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.320 -1.214 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.357 -1.945 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.553 -1.008 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.675 1.230 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.922 1.537 5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.971 2.278 4.715 1.00 0.00 H new ATOM 760 N LEU A 50 -5.346 -1.616 2.627 1.00 0.00 N ATOM 761 CA LEU A 50 -5.187 -2.742 1.713 1.00 0.00 C ATOM 762 C LEU A 50 -4.620 -3.957 2.441 1.00 0.00 C ATOM 763 O LEU A 50 -3.456 -3.967 2.841 1.00 0.00 O ATOM 764 CB LEU A 50 -4.270 -2.356 0.551 1.00 0.00 C ATOM 765 CG LEU A 50 -4.243 -3.324 -0.633 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.899 -2.586 -1.917 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.251 -4.449 -0.379 1.00 0.00 C ATOM 0 H LEU A 50 -4.641 -1.567 3.362 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.170 -3.002 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.573 -1.375 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.255 -2.254 0.934 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.235 -3.761 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.884 -3.290 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.648 -1.817 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.918 -2.121 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.245 -5.128 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.254 -4.031 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.542 -4.995 0.518 1.00 0.00 H new ATOM 779 N VAL A 51 -5.450 -4.982 2.606 1.00 0.00 N ATOM 780 CA VAL A 51 -5.032 -6.204 3.282 1.00 0.00 C ATOM 781 C VAL A 51 -4.420 -7.194 2.297 1.00 0.00 C ATOM 782 O VAL A 51 -5.015 -7.508 1.266 1.00 0.00 O ATOM 783 CB VAL A 51 -6.212 -6.878 4.005 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.776 -8.198 4.624 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.790 -5.949 5.062 1.00 0.00 C ATOM 0 H VAL A 51 -6.417 -4.990 2.280 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.282 -5.918 4.019 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.992 -7.088 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.623 -8.660 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.414 -8.865 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.978 -8.016 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.623 -6.442 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.019 -5.706 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.142 -5.033 4.588 1.00 0.00 H new ATOM 795 N SER A 52 -3.228 -7.685 2.623 1.00 0.00 N ATOM 796 CA SER A 52 -2.534 -8.638 1.765 1.00 0.00 C ATOM 797 C SER A 52 -1.384 -9.305 2.515 1.00 0.00 C ATOM 798 O SER A 52 -0.889 -8.778 3.511 1.00 0.00 O ATOM 799 CB SER A 52 -2.003 -7.937 0.513 1.00 0.00 C ATOM 800 OG SER A 52 -2.972 -7.936 -0.520 1.00 0.00 O ATOM 0 H SER A 52 -2.723 -7.439 3.475 1.00 0.00 H new ATOM 0 HA SER A 52 -3.246 -9.407 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.725 -6.911 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.099 -8.438 0.167 1.00 0.00 H new ATOM 0 HG SER A 52 -3.869 -7.890 -0.127 1.00 0.00 H new ATOM 806 N ASP A 53 -0.965 -10.468 2.027 1.00 0.00 N ATOM 807 CA ASP A 53 0.127 -11.208 2.649 1.00 0.00 C ATOM 808 C ASP A 53 1.479 -10.658 2.204 1.00 0.00 C ATOM 809 O ASP A 53 2.479 -10.799 2.908 1.00 0.00 O ATOM 810 CB ASP A 53 0.027 -12.694 2.301 1.00 0.00 C ATOM 811 CG ASP A 53 -0.509 -12.926 0.902 1.00 0.00 C ATOM 812 OD1 ASP A 53 -1.747 -12.974 0.742 1.00 0.00 O ATOM 813 OD2 ASP A 53 0.308 -13.061 -0.032 1.00 0.00 O ATOM 0 H ASP A 53 -1.365 -10.918 1.203 1.00 0.00 H new ATOM 0 HA ASP A 53 0.045 -11.089 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.012 -13.152 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.622 -13.190 3.023 1.00 0.00 H new ATOM 818 N ARG A 54 1.501 -10.033 1.032 1.00 0.00 N ATOM 819 CA ARG A 54 2.730 -9.464 0.492 1.00 0.00 C ATOM 820 C ARG A 54 3.452 -8.630 1.546 1.00 0.00 C ATOM 821 O ARG A 54 4.663 -8.421 1.465 1.00 0.00 O ATOM 822 CB ARG A 54 2.423 -8.601 -0.733 1.00 0.00 C ATOM 823 CG ARG A 54 1.632 -9.329 -1.808 1.00 0.00 C ATOM 824 CD ARG A 54 2.429 -10.480 -2.403 1.00 0.00 C ATOM 825 NE ARG A 54 1.720 -11.124 -3.506 1.00 0.00 N ATOM 826 CZ ARG A 54 2.107 -12.268 -4.058 1.00 0.00 C ATOM 827 NH1 ARG A 54 3.189 -12.892 -3.613 1.00 0.00 N ATOM 828 NH2 ARG A 54 1.409 -12.792 -5.058 1.00 0.00 N ATOM 0 H ARG A 54 0.682 -9.908 0.438 1.00 0.00 H new ATOM 0 HA ARG A 54 3.381 -10.286 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.864 -7.721 -0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.360 -8.246 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.703 -9.710 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.358 -8.629 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.391 -10.110 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.637 -11.216 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 54 0.883 -10.671 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.727 -12.493 -2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.483 -13.771 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.575 -12.316 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.706 -13.671 -5.482 1.00 0.00 H new ATOM 842 N PHE A 55 2.701 -8.157 2.535 1.00 0.00 N ATOM 843 CA PHE A 55 3.269 -7.344 3.605 1.00 0.00 C ATOM 844 C PHE A 55 3.679 -8.215 4.789 1.00 0.00 C ATOM 845 O PHE A 55 3.452 -7.858 5.946 1.00 0.00 O ATOM 846 CB PHE A 55 2.262 -6.286 4.060 1.00 0.00 C ATOM 847 CG PHE A 55 1.502 -5.655 2.928 1.00 0.00 C ATOM 848 CD1 PHE A 55 2.171 -4.990 1.913 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.119 -5.728 2.879 1.00 0.00 C ATOM 850 CE1 PHE A 55 1.475 -4.409 0.870 1.00 0.00 C ATOM 851 CE2 PHE A 55 -0.582 -5.149 1.838 1.00 0.00 C ATOM 852 CZ PHE A 55 0.097 -4.488 0.833 1.00 0.00 C ATOM 0 H PHE A 55 1.698 -8.322 2.618 1.00 0.00 H new ATOM 0 HA PHE A 55 4.158 -6.846 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.554 -6.743 4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.789 -5.508 4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.249 -4.925 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.417 -6.243 3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.008 -3.894 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.660 -5.213 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.449 -4.034 0.020 1.00 0.00 H new ATOM 862 N THR A 56 4.285 -9.360 4.492 1.00 0.00 N ATOM 863 CA THR A 56 4.726 -10.283 5.531 1.00 0.00 C ATOM 864 C THR A 56 5.575 -9.569 6.577 1.00 0.00 C ATOM 865 O THR A 56 5.503 -9.879 7.765 1.00 0.00 O ATOM 866 CB THR A 56 5.538 -11.450 4.937 1.00 0.00 C ATOM 867 OG1 THR A 56 4.993 -11.830 3.669 1.00 0.00 O ATOM 868 CG2 THR A 56 5.532 -12.646 5.877 1.00 0.00 C ATOM 0 H THR A 56 4.482 -9.671 3.541 1.00 0.00 H new ATOM 0 HA THR A 56 3.828 -10.678 6.005 1.00 0.00 H new ATOM 0 HB THR A 56 6.568 -11.118 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.066 -11.518 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.111 -13.458 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.974 -12.361 6.832 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.506 -12.978 6.037 1.00 0.00 H new ATOM 876 N GLY A 57 6.378 -8.610 6.126 1.00 0.00 N ATOM 877 CA GLY A 57 7.228 -7.866 7.038 1.00 0.00 C ATOM 878 C GLY A 57 8.703 -8.073 6.754 1.00 0.00 C ATOM 879 O GLY A 57 9.539 -7.272 7.169 1.00 0.00 O ATOM 0 H GLY A 57 6.455 -8.335 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.992 -6.804 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.012 -8.171 8.062 1.00 0.00 H new ATOM 883 N GLU A 58 9.022 -9.152 6.045 1.00 0.00 N ATOM 884 CA GLU A 58 10.406 -9.462 5.709 1.00 0.00 C ATOM 885 C GLU A 58 11.197 -8.187 5.429 1.00 0.00 C ATOM 886 O GLU A 58 12.357 -8.064 5.823 1.00 0.00 O ATOM 887 CB GLU A 58 10.464 -10.388 4.492 1.00 0.00 C ATOM 888 CG GLU A 58 9.632 -9.903 3.318 1.00 0.00 C ATOM 889 CD GLU A 58 9.396 -10.985 2.282 1.00 0.00 C ATOM 890 OE1 GLU A 58 10.154 -11.978 2.280 1.00 0.00 O ATOM 891 OE2 GLU A 58 8.456 -10.840 1.474 1.00 0.00 O ATOM 0 H GLU A 58 8.341 -9.825 5.693 1.00 0.00 H new ATOM 0 HA GLU A 58 10.855 -9.968 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.501 -10.491 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.121 -11.380 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.671 -9.540 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.134 -9.058 2.847 1.00 0.00 H new ATOM 898 N ARG A 59 10.561 -7.241 4.745 1.00 0.00 N ATOM 899 CA ARG A 59 11.204 -5.977 4.411 1.00 0.00 C ATOM 900 C ARG A 59 10.216 -4.819 4.516 1.00 0.00 C ATOM 901 O ARG A 59 9.055 -4.942 4.124 1.00 0.00 O ATOM 902 CB ARG A 59 11.788 -6.035 2.998 1.00 0.00 C ATOM 903 CG ARG A 59 13.220 -6.543 2.951 1.00 0.00 C ATOM 904 CD ARG A 59 14.184 -5.550 3.582 1.00 0.00 C ATOM 905 NE ARG A 59 14.354 -5.787 5.013 1.00 0.00 N ATOM 906 CZ ARG A 59 15.105 -6.763 5.512 1.00 0.00 C ATOM 907 NH1 ARG A 59 15.751 -7.588 4.699 1.00 0.00 N ATOM 908 NH2 ARG A 59 15.211 -6.915 6.826 1.00 0.00 N ATOM 0 H ARG A 59 9.601 -7.327 4.412 1.00 0.00 H new ATOM 0 HA ARG A 59 12.011 -5.810 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.162 -6.680 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.750 -5.039 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.286 -7.498 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.509 -6.725 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.152 -5.619 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.816 -4.536 3.424 1.00 0.00 H new ATOM 0 HE ARG A 59 13.870 -5.170 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.672 -7.474 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.327 -8.337 5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.716 -6.282 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.788 -7.665 7.208 1.00 0.00 H new ATOM 922 N PHE A 60 10.684 -3.695 5.049 1.00 0.00 N ATOM 923 CA PHE A 60 9.841 -2.516 5.208 1.00 0.00 C ATOM 924 C PHE A 60 9.530 -1.883 3.855 1.00 0.00 C ATOM 925 O PHE A 60 8.375 -1.841 3.427 1.00 0.00 O ATOM 926 CB PHE A 60 10.526 -1.492 6.117 1.00 0.00 C ATOM 927 CG PHE A 60 9.738 -0.226 6.293 1.00 0.00 C ATOM 928 CD1 PHE A 60 9.714 0.736 5.296 1.00 0.00 C ATOM 929 CD2 PHE A 60 9.021 0.003 7.457 1.00 0.00 C ATOM 930 CE1 PHE A 60 8.990 1.902 5.456 1.00 0.00 C ATOM 931 CE2 PHE A 60 8.296 1.168 7.623 1.00 0.00 C ATOM 932 CZ PHE A 60 8.279 2.118 6.620 1.00 0.00 C ATOM 0 H PHE A 60 11.642 -3.576 5.378 1.00 0.00 H new ATOM 0 HA PHE A 60 8.903 -2.830 5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.697 -1.943 7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.504 -1.247 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.268 0.573 4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.029 -0.737 8.243 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.980 2.644 4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.743 1.335 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.711 3.028 6.746 1.00 0.00 H new ATOM 942 N LEU A 61 10.567 -1.392 3.186 1.00 0.00 N ATOM 943 CA LEU A 61 10.405 -0.761 1.881 1.00 0.00 C ATOM 944 C LEU A 61 9.754 -1.719 0.889 1.00 0.00 C ATOM 945 O LEU A 61 8.974 -1.306 0.032 1.00 0.00 O ATOM 946 CB LEU A 61 11.761 -0.298 1.345 1.00 0.00 C ATOM 947 CG LEU A 61 12.355 0.947 2.006 1.00 0.00 C ATOM 948 CD1 LEU A 61 13.041 0.581 3.314 1.00 0.00 C ATOM 949 CD2 LEU A 61 13.331 1.637 1.065 1.00 0.00 C ATOM 0 H LEU A 61 11.529 -1.419 3.525 1.00 0.00 H new ATOM 0 HA LEU A 61 9.754 0.105 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.472 -1.117 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.660 -0.105 0.277 1.00 0.00 H new ATOM 0 HG LEU A 61 11.543 1.640 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.458 1.479 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.315 0.133 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.842 -0.131 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.743 2.520 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.140 0.951 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.810 1.935 0.155 1.00 0.00 H new ATOM 961 N ASN A 62 10.080 -3.002 1.013 1.00 0.00 N ATOM 962 CA ASN A 62 9.525 -4.020 0.128 1.00 0.00 C ATOM 963 C ASN A 62 8.007 -3.899 0.043 1.00 0.00 C ATOM 964 O ASN A 62 7.384 -4.409 -0.888 1.00 0.00 O ATOM 965 CB ASN A 62 9.910 -5.417 0.620 1.00 0.00 C ATOM 966 CG ASN A 62 9.329 -6.516 -0.249 1.00 0.00 C ATOM 967 OD1 ASN A 62 8.863 -6.263 -1.360 1.00 0.00 O ATOM 968 ND2 ASN A 62 9.354 -7.744 0.255 1.00 0.00 N ATOM 0 H ASN A 62 10.725 -3.361 1.717 1.00 0.00 H new ATOM 0 HA ASN A 62 9.940 -3.865 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.996 -5.507 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.563 -5.547 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.977 -8.524 -0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.750 -7.907 1.181 1.00 0.00 H new ATOM 975 N ARG A 63 7.418 -3.219 1.022 1.00 0.00 N ATOM 976 CA ARG A 63 5.972 -3.031 1.058 1.00 0.00 C ATOM 977 C ARG A 63 5.564 -1.796 0.261 1.00 0.00 C ATOM 978 O ARG A 63 4.658 -1.852 -0.571 1.00 0.00 O ATOM 979 CB ARG A 63 5.490 -2.900 2.504 1.00 0.00 C ATOM 980 CG ARG A 63 5.733 -4.145 3.342 1.00 0.00 C ATOM 981 CD ARG A 63 5.114 -4.015 4.725 1.00 0.00 C ATOM 982 NE ARG A 63 6.034 -3.405 5.681 1.00 0.00 N ATOM 983 CZ ARG A 63 5.647 -2.856 6.827 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.363 -2.841 7.158 1.00 0.00 N ATOM 985 NH2 ARG A 63 6.544 -2.321 7.645 1.00 0.00 N ATOM 0 H ARG A 63 7.919 -2.790 1.800 1.00 0.00 H new ATOM 0 HA ARG A 63 5.506 -3.905 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.994 -2.054 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.423 -2.675 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.314 -5.014 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.805 -4.318 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.207 -3.414 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.819 -5.001 5.084 1.00 0.00 H new ATOM 0 HE ARG A 63 7.029 -3.400 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.670 -3.252 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.068 -2.419 8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.533 -2.331 7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.245 -1.900 8.525 1.00 0.00 H new ATOM 999 N HIS A 64 6.240 -0.681 0.521 1.00 0.00 N ATOM 1000 CA HIS A 64 5.948 0.569 -0.173 1.00 0.00 C ATOM 1001 C HIS A 64 6.263 0.451 -1.661 1.00 0.00 C ATOM 1002 O HIS A 64 5.409 0.711 -2.508 1.00 0.00 O ATOM 1003 CB HIS A 64 6.750 1.717 0.441 1.00 0.00 C ATOM 1004 CG HIS A 64 6.166 2.240 1.718 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.303 3.314 1.766 1.00 0.00 N ATOM 1006 CD2 HIS A 64 6.325 1.828 2.997 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.958 3.542 3.021 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.564 2.654 3.788 1.00 0.00 N ATOM 0 H HIS A 64 6.993 -0.617 1.206 1.00 0.00 H new ATOM 0 HA HIS A 64 4.884 0.778 -0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.769 1.378 0.629 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.813 2.532 -0.280 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.936 1.004 3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.293 4.322 3.362 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.481 2.592 4.803 1.00 0.00 H new ATOM 1017 N ARG A 65 7.494 0.058 -1.970 1.00 0.00 N ATOM 1018 CA ARG A 65 7.922 -0.092 -3.356 1.00 0.00 C ATOM 1019 C ARG A 65 6.804 -0.682 -4.210 1.00 0.00 C ATOM 1020 O ARG A 65 6.649 -0.328 -5.378 1.00 0.00 O ATOM 1021 CB ARG A 65 9.163 -0.984 -3.435 1.00 0.00 C ATOM 1022 CG ARG A 65 8.872 -2.455 -3.189 1.00 0.00 C ATOM 1023 CD ARG A 65 10.027 -3.334 -3.642 1.00 0.00 C ATOM 1024 NE ARG A 65 10.110 -3.422 -5.098 1.00 0.00 N ATOM 1025 CZ ARG A 65 11.181 -3.862 -5.748 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.255 -4.254 -5.075 1.00 0.00 N ATOM 1027 NH2 ARG A 65 11.180 -3.912 -7.074 1.00 0.00 N ATOM 0 H ARG A 65 8.212 -0.162 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 65 8.168 0.897 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.619 -0.872 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.895 -0.640 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.684 -2.617 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.965 -2.742 -3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.962 -2.935 -3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.907 -4.334 -3.225 1.00 0.00 H new ATOM 0 HE ARG A 65 9.301 -3.129 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.259 -4.218 -4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.076 -4.592 -5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.356 -3.612 -7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.003 -4.250 -7.572 1.00 0.00 H new ATOM 1041 N MET A 66 6.028 -1.584 -3.618 1.00 0.00 N ATOM 1042 CA MET A 66 4.923 -2.222 -4.324 1.00 0.00 C ATOM 1043 C MET A 66 3.789 -1.231 -4.570 1.00 0.00 C ATOM 1044 O MET A 66 3.323 -1.075 -5.698 1.00 0.00 O ATOM 1045 CB MET A 66 4.405 -3.421 -3.528 1.00 0.00 C ATOM 1046 CG MET A 66 5.380 -4.586 -3.479 1.00 0.00 C ATOM 1047 SD MET A 66 4.609 -6.115 -2.914 1.00 0.00 S ATOM 1048 CE MET A 66 4.135 -5.660 -1.248 1.00 0.00 C ATOM 0 H MET A 66 6.144 -1.889 -2.652 1.00 0.00 H new ATOM 0 HA MET A 66 5.294 -2.569 -5.289 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.182 -3.102 -2.510 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.467 -3.761 -3.968 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.803 -4.742 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.207 -4.334 -2.816 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.656 -6.299 -0.534 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.402 -4.619 -1.065 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.059 -5.785 -1.129 1.00 0.00 H new ATOM 1058 N ILE A 67 3.351 -0.566 -3.506 1.00 0.00 N ATOM 1059 CA ILE A 67 2.273 0.410 -3.608 1.00 0.00 C ATOM 1060 C ILE A 67 2.695 1.611 -4.447 1.00 0.00 C ATOM 1061 O ILE A 67 2.129 1.868 -5.510 1.00 0.00 O ATOM 1062 CB ILE A 67 1.826 0.901 -2.218 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.412 -0.284 -1.343 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.681 1.894 -2.351 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.162 -0.985 -1.827 1.00 0.00 C ATOM 0 H ILE A 67 3.725 -0.685 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 67 1.437 -0.093 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 67 2.665 1.405 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.231 -1.002 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.251 0.066 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.376 2.232 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.008 2.750 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.162 1.413 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.072 -1.814 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.670 -0.281 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.326 -1.366 -2.835 1.00 0.00 H new ATOM 1077 N TYR A 68 3.694 2.341 -3.965 1.00 0.00 N ATOM 1078 CA TYR A 68 4.193 3.516 -4.670 1.00 0.00 C ATOM 1079 C TYR A 68 4.347 3.231 -6.161 1.00 0.00 C ATOM 1080 O TYR A 68 3.640 3.804 -6.990 1.00 0.00 O ATOM 1081 CB TYR A 68 5.534 3.959 -4.083 1.00 0.00 C ATOM 1082 CG TYR A 68 5.400 4.936 -2.937 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.317 4.875 -2.069 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.357 5.920 -2.722 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.190 5.767 -1.021 1.00 0.00 C ATOM 1086 CE2 TYR A 68 6.240 6.815 -1.676 1.00 0.00 C ATOM 1087 CZ TYR A 68 5.154 6.734 -0.829 1.00 0.00 C ATOM 1088 OH TYR A 68 5.033 7.623 0.215 1.00 0.00 O ATOM 0 H TYR A 68 4.175 2.140 -3.088 1.00 0.00 H new ATOM 0 HA TYR A 68 3.467 4.319 -4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.078 3.080 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.133 4.416 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.561 4.117 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.207 5.986 -3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.341 5.707 -0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.994 7.573 -1.522 1.00 0.00 H new ATOM 0 HH TYR A 68 5.796 8.238 0.211 1.00 0.00 H new ATOM 1098 N SER A 69 5.276 2.341 -6.494 1.00 0.00 N ATOM 1099 CA SER A 69 5.527 1.981 -7.884 1.00 0.00 C ATOM 1100 C SER A 69 4.229 1.974 -8.686 1.00 0.00 C ATOM 1101 O SER A 69 4.168 2.503 -9.797 1.00 0.00 O ATOM 1102 CB SER A 69 6.197 0.608 -7.965 1.00 0.00 C ATOM 1103 OG SER A 69 6.266 0.152 -9.305 1.00 0.00 O ATOM 0 H SER A 69 5.868 1.856 -5.820 1.00 0.00 H new ATOM 0 HA SER A 69 6.195 2.729 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.201 0.665 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.639 -0.108 -7.362 1.00 0.00 H new ATOM 0 HG SER A 69 6.700 -0.727 -9.330 1.00 0.00 H new ATOM 1109 N THR A 70 3.191 1.371 -8.115 1.00 0.00 N ATOM 1110 CA THR A 70 1.894 1.293 -8.776 1.00 0.00 C ATOM 1111 C THR A 70 1.299 2.681 -8.983 1.00 0.00 C ATOM 1112 O THR A 70 0.764 2.985 -10.050 1.00 0.00 O ATOM 1113 CB THR A 70 0.902 0.437 -7.966 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.442 -0.872 -7.756 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.434 0.331 -8.686 1.00 0.00 C ATOM 0 H THR A 70 3.223 0.929 -7.196 1.00 0.00 H new ATOM 0 HA THR A 70 2.060 0.824 -9.746 1.00 0.00 H new ATOM 0 HB THR A 70 0.740 0.921 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.089 -0.845 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.118 -0.278 -8.095 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.856 1.327 -8.818 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.286 -0.132 -9.661 1.00 0.00 H new ATOM 1123 N LEU A 71 1.395 3.520 -7.958 1.00 0.00 N ATOM 1124 CA LEU A 71 0.866 4.878 -8.028 1.00 0.00 C ATOM 1125 C LEU A 71 1.992 5.905 -7.966 1.00 0.00 C ATOM 1126 O LEU A 71 1.845 6.965 -7.359 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.124 5.120 -6.888 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.166 4.025 -6.659 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.603 3.998 -5.203 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.365 4.230 -7.574 1.00 0.00 C ATOM 0 H LEU A 71 1.834 3.284 -7.068 1.00 0.00 H new ATOM 0 HA LEU A 71 0.348 4.991 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.441 5.254 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.647 6.057 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.712 3.063 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.345 3.212 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.739 3.802 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.039 4.961 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.097 3.441 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.819 5.199 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.039 4.196 -8.614 1.00 0.00 H new ATOM 1142 N ALA A 72 3.116 5.582 -8.598 1.00 0.00 N ATOM 1143 CA ALA A 72 4.265 6.478 -8.618 1.00 0.00 C ATOM 1144 C ALA A 72 3.898 7.829 -9.225 1.00 0.00 C ATOM 1145 O ALA A 72 4.357 8.872 -8.761 1.00 0.00 O ATOM 1146 CB ALA A 72 5.414 5.846 -9.390 1.00 0.00 C ATOM 0 H ALA A 72 3.255 4.707 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 72 4.581 6.645 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.266 6.526 -9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.702 4.909 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.099 5.649 -10.415 1.00 0.00 H new ATOM 1152 N GLU A 73 3.068 7.800 -10.263 1.00 0.00 N ATOM 1153 CA GLU A 73 2.642 9.023 -10.932 1.00 0.00 C ATOM 1154 C GLU A 73 1.376 9.582 -10.290 1.00 0.00 C ATOM 1155 O GLU A 73 1.327 10.750 -9.904 1.00 0.00 O ATOM 1156 CB GLU A 73 2.398 8.758 -12.420 1.00 0.00 C ATOM 1157 CG GLU A 73 3.658 8.402 -13.189 1.00 0.00 C ATOM 1158 CD GLU A 73 3.412 8.262 -14.679 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.530 7.465 -15.062 1.00 0.00 O ATOM 1160 OE2 GLU A 73 4.102 8.948 -15.462 1.00 0.00 O ATOM 0 H GLU A 73 2.678 6.944 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 73 3.438 9.760 -10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.678 7.946 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.946 9.643 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.412 9.171 -13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.063 7.467 -12.802 1.00 0.00 H new ATOM 1167 N GLU A 74 0.353 8.740 -10.179 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.913 9.150 -9.585 1.00 0.00 C ATOM 1169 C GLU A 74 -0.680 9.965 -8.316 1.00 0.00 C ATOM 1170 O GLU A 74 -1.140 11.102 -8.201 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.773 7.925 -9.266 1.00 0.00 C ATOM 1172 CG GLU A 74 -2.025 7.030 -10.467 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.830 7.720 -11.551 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.352 8.742 -12.086 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -3.938 7.238 -11.865 1.00 0.00 O ATOM 0 H GLU A 74 0.377 7.770 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.438 9.776 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.285 7.342 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.730 8.258 -8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.070 6.705 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.553 6.133 -10.143 1.00 0.00 H new ATOM 1182 N LEU A 75 0.036 9.376 -7.365 1.00 0.00 N ATOM 1183 CA LEU A 75 0.331 10.046 -6.103 1.00 0.00 C ATOM 1184 C LEU A 75 1.058 11.366 -6.344 1.00 0.00 C ATOM 1185 O LEU A 75 0.645 12.413 -5.847 1.00 0.00 O ATOM 1186 CB LEU A 75 1.178 9.141 -5.207 1.00 0.00 C ATOM 1187 CG LEU A 75 0.605 7.752 -4.923 1.00 0.00 C ATOM 1188 CD1 LEU A 75 1.683 6.831 -4.374 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -0.564 7.846 -3.953 1.00 0.00 C ATOM 0 H LEU A 75 0.423 8.436 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.614 10.258 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.158 9.020 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.334 9.649 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 75 0.241 7.332 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.256 5.847 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.488 6.738 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.079 7.246 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.960 6.848 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.225 8.287 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.346 8.470 -4.385 1.00 0.00 H new ATOM 1201 N SER A 76 2.142 11.307 -7.111 1.00 0.00 N ATOM 1202 CA SER A 76 2.927 12.497 -7.417 1.00 0.00 C ATOM 1203 C SER A 76 2.025 13.642 -7.866 1.00 0.00 C ATOM 1204 O SER A 76 2.378 14.815 -7.734 1.00 0.00 O ATOM 1205 CB SER A 76 3.957 12.188 -8.505 1.00 0.00 C ATOM 1206 OG SER A 76 4.633 13.363 -8.916 1.00 0.00 O ATOM 0 H SER A 76 2.496 10.448 -7.532 1.00 0.00 H new ATOM 0 HA SER A 76 3.448 12.802 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.679 11.462 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.460 11.732 -9.361 1.00 0.00 H new ATOM 0 HG SER A 76 5.287 13.138 -9.611 1.00 0.00 H new ATOM 1212 N THR A 77 0.858 13.295 -8.398 1.00 0.00 N ATOM 1213 CA THR A 77 -0.096 14.292 -8.868 1.00 0.00 C ATOM 1214 C THR A 77 -0.306 15.385 -7.827 1.00 0.00 C ATOM 1215 O THR A 77 0.176 16.507 -7.983 1.00 0.00 O ATOM 1216 CB THR A 77 -1.455 13.653 -9.208 1.00 0.00 C ATOM 1217 OG1 THR A 77 -1.289 12.657 -10.223 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.445 14.707 -9.681 1.00 0.00 C ATOM 0 H THR A 77 0.550 12.330 -8.514 1.00 0.00 H new ATOM 0 HA THR A 77 0.326 14.732 -9.772 1.00 0.00 H new ATOM 0 HB THR A 77 -1.848 13.187 -8.305 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.420 11.768 -9.833 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.398 14.232 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.592 15.447 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.055 15.198 -10.573 1.00 0.00 H new ATOM 1226 N THR A 78 -1.029 15.050 -6.762 1.00 0.00 N ATOM 1227 CA THR A 78 -1.304 16.004 -5.695 1.00 0.00 C ATOM 1228 C THR A 78 -0.973 15.411 -4.330 1.00 0.00 C ATOM 1229 O THR A 78 -0.584 16.128 -3.408 1.00 0.00 O ATOM 1230 CB THR A 78 -2.778 16.449 -5.705 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.009 17.403 -4.662 1.00 0.00 O ATOM 1232 CG2 THR A 78 -3.705 15.256 -5.522 1.00 0.00 C ATOM 0 H THR A 78 -1.434 14.125 -6.616 1.00 0.00 H new ATOM 0 HA THR A 78 -0.670 16.872 -5.875 1.00 0.00 H new ATOM 0 HB THR A 78 -2.989 16.908 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.948 17.682 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.741 15.595 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.548 14.545 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.491 14.772 -4.569 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.130 14.097 -4.207 1.00 0.00 N ATOM 1241 CA VAL A 79 -0.846 13.407 -2.954 1.00 0.00 C ATOM 1242 C VAL A 79 0.641 13.465 -2.619 1.00 0.00 C ATOM 1243 O VAL A 79 1.492 13.330 -3.499 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.291 11.933 -3.011 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -0.845 11.192 -1.760 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -2.799 11.839 -3.188 1.00 0.00 C ATOM 0 H VAL A 79 -1.452 13.489 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.411 13.920 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.817 11.461 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.168 10.153 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.242 11.230 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.288 11.661 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.096 10.791 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.295 12.326 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.088 12.332 -4.116 1.00 0.00 H new ATOM 1256 N HIS A 80 0.947 13.666 -1.341 1.00 0.00 N ATOM 1257 CA HIS A 80 2.331 13.740 -0.889 1.00 0.00 C ATOM 1258 C HIS A 80 2.609 12.694 0.186 1.00 0.00 C ATOM 1259 O HIS A 80 3.422 11.791 -0.009 1.00 0.00 O ATOM 1260 CB HIS A 80 2.639 15.137 -0.350 1.00 0.00 C ATOM 1261 CG HIS A 80 4.104 15.439 -0.269 1.00 0.00 C ATOM 1262 ND1 HIS A 80 4.912 14.978 0.749 1.00 0.00 N ATOM 1263 CD2 HIS A 80 4.906 16.159 -1.088 1.00 0.00 C ATOM 1264 CE1 HIS A 80 6.148 15.402 0.554 1.00 0.00 C ATOM 1265 NE2 HIS A 80 6.171 16.121 -0.555 1.00 0.00 N ATOM 0 H HIS A 80 0.255 13.780 -0.601 1.00 0.00 H new ATOM 0 HA HIS A 80 2.977 13.537 -1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.159 15.878 -0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.200 15.239 0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.607 16.668 -1.992 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.995 15.196 1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.995 16.574 -0.951 1.00 0.00 H new ATOM 1274 N ALA A 81 1.929 12.824 1.320 1.00 0.00 N ATOM 1275 CA ALA A 81 2.101 11.889 2.425 1.00 0.00 C ATOM 1276 C ALA A 81 0.869 11.007 2.596 1.00 0.00 C ATOM 1277 O ALA A 81 -0.182 11.470 3.040 1.00 0.00 O ATOM 1278 CB ALA A 81 2.395 12.643 3.714 1.00 0.00 C ATOM 0 H ALA A 81 1.254 13.568 1.498 1.00 0.00 H new ATOM 0 HA ALA A 81 2.948 11.244 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.521 11.932 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.309 13.225 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.566 13.313 3.941 1.00 0.00 H new ATOM 1284 N LEU A 82 1.005 9.734 2.240 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.098 8.786 2.353 1.00 0.00 C ATOM 1286 C LEU A 82 0.174 7.762 3.450 1.00 0.00 C ATOM 1287 O LEU A 82 1.219 7.112 3.460 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.324 8.074 1.019 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.191 6.815 1.067 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.422 7.049 1.929 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.593 6.390 -0.337 1.00 0.00 C ATOM 0 H LEU A 82 1.868 9.335 1.871 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.997 9.343 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.782 8.780 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.648 7.806 0.604 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.607 6.011 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.028 6.143 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.113 7.305 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.009 7.867 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.209 5.493 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.159 7.191 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.699 6.181 -0.924 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.774 7.621 4.371 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.637 6.673 5.469 1.00 0.00 C ATOM 1305 C ALA A 83 -1.114 5.284 5.057 1.00 0.00 C ATOM 1306 O ALA A 83 -2.277 4.931 5.257 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.411 7.159 6.685 1.00 0.00 C ATOM 0 H ALA A 83 -1.645 8.152 4.378 1.00 0.00 H new ATOM 0 HA ALA A 83 0.420 6.604 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.300 6.441 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.022 8.127 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.466 7.257 6.429 1.00 0.00 H new ATOM 1313 N LEU A 84 -0.210 4.500 4.480 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.539 3.149 4.039 1.00 0.00 C ATOM 1315 C LEU A 84 -0.728 2.217 5.232 1.00 0.00 C ATOM 1316 O LEU A 84 0.241 1.801 5.868 1.00 0.00 O ATOM 1317 CB LEU A 84 0.561 2.608 3.124 1.00 0.00 C ATOM 1318 CG LEU A 84 0.827 3.408 1.849 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.049 2.867 1.124 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.391 3.380 0.938 1.00 0.00 C ATOM 0 H LEU A 84 0.756 4.777 4.307 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.476 3.193 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.488 2.555 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.302 1.588 2.841 1.00 0.00 H new ATOM 0 HG LEU A 84 1.024 4.443 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.222 3.449 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.920 2.940 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.882 1.823 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.183 3.955 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.619 2.349 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.244 3.816 1.458 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.982 1.892 5.530 1.00 0.00 N ATOM 1333 CA HIS A 85 -2.298 1.007 6.645 1.00 0.00 C ATOM 1334 C HIS A 85 -2.657 -0.389 6.146 1.00 0.00 C ATOM 1335 O HIS A 85 -3.833 -0.741 6.043 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.452 1.580 7.468 1.00 0.00 C ATOM 1337 CG HIS A 85 -3.035 2.663 8.413 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.836 2.647 9.094 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.663 3.802 8.788 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.746 3.728 9.849 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.842 4.446 9.681 1.00 0.00 N ATOM 0 H HIS A 85 -2.796 2.228 5.015 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.414 0.931 7.278 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.210 1.973 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.918 0.774 8.035 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.630 4.141 8.448 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.917 3.981 10.494 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.045 5.334 10.140 1.00 0.00 H new ATOM 1350 N THR A 86 -1.636 -1.183 5.836 1.00 0.00 N ATOM 1351 CA THR A 86 -1.843 -2.539 5.346 1.00 0.00 C ATOM 1352 C THR A 86 -1.851 -3.543 6.493 1.00 0.00 C ATOM 1353 O THR A 86 -1.106 -3.399 7.463 1.00 0.00 O ATOM 1354 CB THR A 86 -0.756 -2.943 4.333 1.00 0.00 C ATOM 1355 OG1 THR A 86 0.536 -2.873 4.946 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.792 -2.038 3.110 1.00 0.00 C ATOM 0 H THR A 86 -0.657 -0.909 5.916 1.00 0.00 H new ATOM 0 HA THR A 86 -2.813 -2.550 4.850 1.00 0.00 H new ATOM 0 HB THR A 86 -0.951 -3.967 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.106 -3.587 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.015 -2.343 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.767 -2.116 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.620 -1.006 3.416 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.697 -4.561 6.376 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.802 -5.589 7.405 1.00 0.00 C ATOM 1366 C TYR A 87 -2.760 -6.984 6.788 1.00 0.00 C ATOM 1367 O TYR A 87 -3.326 -7.222 5.720 1.00 0.00 O ATOM 1368 CB TYR A 87 -4.095 -5.411 8.202 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.943 -4.515 9.410 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.503 -3.203 9.276 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -4.237 -4.979 10.686 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -3.362 -2.381 10.377 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -4.101 -4.163 11.793 1.00 0.00 C ATOM 1374 CZ TYR A 87 -3.662 -2.865 11.633 1.00 0.00 C ATOM 1375 OH TYR A 87 -3.523 -2.049 12.732 1.00 0.00 O ATOM 0 H TYR A 87 -3.320 -4.696 5.579 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.950 -5.483 8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.862 -4.997 7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.449 -6.389 8.528 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.267 -2.820 8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.578 -5.996 10.815 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.019 -1.364 10.255 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.337 -4.539 12.777 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.776 -2.542 13.540 1.00 0.00 H new ATOM 1385 N THR A 88 -2.085 -7.905 7.469 1.00 0.00 N ATOM 1386 CA THR A 88 -1.967 -9.276 6.989 1.00 0.00 C ATOM 1387 C THR A 88 -3.201 -10.094 7.353 1.00 0.00 C ATOM 1388 O THR A 88 -3.775 -9.924 8.430 1.00 0.00 O ATOM 1389 CB THR A 88 -0.718 -9.968 7.567 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.565 -9.627 8.950 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.530 -9.562 6.798 1.00 0.00 C ATOM 0 H THR A 88 -1.612 -7.726 8.355 1.00 0.00 H new ATOM 0 HA THR A 88 -1.876 -9.224 5.904 1.00 0.00 H new ATOM 0 HB THR A 88 -0.850 -11.046 7.471 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.230 -10.072 9.311 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.399 -10.063 7.224 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.422 -9.849 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.664 -8.482 6.866 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.605 -10.981 6.451 1.00 0.00 N ATOM 1400 CA ILE A 89 -4.770 -11.826 6.678 1.00 0.00 C ATOM 1401 C ILE A 89 -4.903 -12.193 8.153 1.00 0.00 C ATOM 1402 O ILE A 89 -5.900 -11.869 8.797 1.00 0.00 O ATOM 1403 CB ILE A 89 -4.700 -13.119 5.844 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -4.658 -12.786 4.351 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -5.887 -14.017 6.158 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.257 -12.585 3.816 1.00 0.00 C ATOM 0 H ILE A 89 -3.142 -11.133 5.555 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.642 -11.251 6.368 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.786 -13.653 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.139 -13.590 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.240 -11.882 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.823 -14.927 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.877 -14.277 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.813 -13.492 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.304 -12.352 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.779 -11.762 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.677 -13.496 3.963 1.00 0.00 H new ATOM 1418 N LYS A 90 -3.890 -12.871 8.682 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.890 -13.280 10.081 1.00 0.00 C ATOM 1420 C LYS A 90 -4.174 -12.093 10.995 1.00 0.00 C ATOM 1421 O LYS A 90 -5.197 -12.054 11.677 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.546 -13.912 10.449 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.487 -15.408 10.195 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.459 -15.720 8.708 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.580 -17.214 8.450 1.00 0.00 C ATOM 1426 NZ LYS A 90 -3.969 -17.705 8.668 1.00 0.00 N ATOM 0 H LYS A 90 -3.058 -13.149 8.162 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.681 -14.018 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.756 -13.424 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.341 -13.723 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.600 -15.824 10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.351 -15.890 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.275 -15.196 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.530 -15.349 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.275 -17.431 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.897 -17.752 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.033 -18.704 8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.215 -17.614 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.630 -17.141 8.097 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.261 -11.126 11.002 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.415 -9.937 11.833 1.00 0.00 C ATOM 1442 C GLU A 91 -4.860 -9.447 11.818 1.00 0.00 C ATOM 1443 O GLU A 91 -5.393 -9.023 12.844 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.482 -8.825 11.348 1.00 0.00 C ATOM 1445 CG GLU A 91 -1.041 -9.001 11.797 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.902 -9.049 13.306 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.709 -8.393 13.998 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.015 -9.742 13.795 1.00 0.00 O ATOM 0 H GLU A 91 -2.408 -11.143 10.442 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.150 -10.203 12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.512 -8.786 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.853 -7.867 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.641 -9.920 11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.440 -8.180 11.406 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.487 -9.507 10.649 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.870 -9.068 10.500 1.00 0.00 C ATOM 1457 C TRP A 92 -7.828 -10.059 11.150 1.00 0.00 C ATOM 1458 O TRP A 92 -8.801 -9.665 11.792 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.216 -8.900 9.019 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.277 -7.871 8.771 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.404 -8.021 8.013 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.309 -6.533 9.280 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.134 -6.857 8.021 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.484 -5.929 8.791 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.461 -5.787 10.102 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.829 -4.616 9.098 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.804 -4.483 10.405 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.980 -3.908 9.905 1.00 0.00 C ATOM 0 H TRP A 92 -5.060 -9.855 9.791 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.977 -8.106 11.002 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.315 -8.622 8.472 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.549 -9.858 8.620 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.680 -8.922 7.485 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.017 -6.708 7.533 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.553 -6.222 10.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.735 -4.171 8.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.154 -3.897 11.038 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.221 -2.887 10.161 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.547 -11.347 10.979 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.386 -12.394 11.550 1.00 0.00 C ATOM 1481 C GLU A 93 -8.749 -12.072 12.996 1.00 0.00 C ATOM 1482 O GLU A 93 -9.748 -12.563 13.521 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.672 -13.746 11.480 1.00 0.00 C ATOM 1484 CG GLU A 93 -7.492 -14.267 10.064 1.00 0.00 C ATOM 1485 CD GLU A 93 -7.367 -15.777 10.009 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -6.438 -16.318 10.645 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -8.198 -16.417 9.332 1.00 0.00 O ATOM 0 H GLU A 93 -6.745 -11.690 10.450 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.305 -12.446 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.694 -13.655 11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.238 -14.477 12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.340 -13.954 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.602 -13.816 9.626 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.929 -11.244 13.636 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.179 -10.871 15.016 1.00 0.00 C ATOM 1496 C GLY A 94 -7.144 -9.902 15.552 1.00 0.00 C ATOM 1497 O GLY A 94 -6.349 -10.251 16.426 1.00 0.00 O ATOM 0 H GLY A 94 -7.096 -10.825 13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.168 -10.420 15.094 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.188 -11.768 15.636 1.00 0.00 H new ATOM 1501 N LEU A 95 -7.150 -8.682 15.026 1.00 0.00 N ATOM 1502 CA LEU A 95 -6.203 -7.659 15.456 1.00 0.00 C ATOM 1503 C LEU A 95 -6.184 -7.538 16.976 1.00 0.00 C ATOM 1504 O LEU A 95 -5.120 -7.528 17.594 1.00 0.00 O ATOM 1505 CB LEU A 95 -6.561 -6.310 14.830 1.00 0.00 C ATOM 1506 CG LEU A 95 -8.030 -6.113 14.454 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -8.414 -4.644 14.554 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -8.298 -6.642 13.053 1.00 0.00 C ATOM 0 H LEU A 95 -7.800 -8.377 14.301 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.209 -7.956 15.122 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.276 -5.522 15.527 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.956 -6.176 13.933 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.644 -6.677 15.157 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.463 -4.523 14.283 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.261 -4.297 15.576 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.794 -4.059 13.875 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.348 -6.493 12.803 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.675 -6.107 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.063 -7.706 13.015 1.00 0.00 H new ATOM 1520 N GLN A 96 -7.369 -7.449 17.572 1.00 0.00 N ATOM 1521 CA GLN A 96 -7.488 -7.331 19.021 1.00 0.00 C ATOM 1522 C GLN A 96 -7.782 -8.686 19.655 1.00 0.00 C ATOM 1523 O GLN A 96 -8.658 -8.804 20.512 1.00 0.00 O ATOM 1524 CB GLN A 96 -8.590 -6.334 19.383 1.00 0.00 C ATOM 1525 CG GLN A 96 -8.516 -5.841 20.819 1.00 0.00 C ATOM 1526 CD GLN A 96 -9.871 -5.436 21.368 1.00 0.00 C ATOM 1527 OE1 GLN A 96 -10.751 -6.275 21.560 1.00 0.00 O ATOM 1528 NE2 GLN A 96 -10.044 -4.145 21.623 1.00 0.00 N ATOM 0 H GLN A 96 -8.259 -7.456 17.075 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.537 -6.968 19.411 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.530 -5.478 18.710 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.561 -6.802 19.218 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.093 -6.625 21.447 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.837 -4.990 20.872 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.286 -3.485 21.448 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.935 -3.813 21.994 1.00 0.00 H new ATOM 1537 N ASP A 97 -7.045 -9.706 19.229 1.00 0.00 N ATOM 1538 CA ASP A 97 -7.226 -11.053 19.756 1.00 0.00 C ATOM 1539 C ASP A 97 -5.886 -11.668 20.149 1.00 0.00 C ATOM 1540 O ASP A 97 -4.826 -11.138 19.816 1.00 0.00 O ATOM 1541 CB ASP A 97 -7.924 -11.939 18.723 1.00 0.00 C ATOM 1542 CG ASP A 97 -8.763 -13.026 19.364 1.00 0.00 C ATOM 1543 OD1 ASP A 97 -8.544 -13.317 20.558 1.00 0.00 O ATOM 1544 OD2 ASP A 97 -9.639 -13.586 18.671 1.00 0.00 O ATOM 0 H ASP A 97 -6.316 -9.625 18.520 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.850 -10.986 20.647 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.559 -11.321 18.089 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.175 -12.396 18.076 1.00 0.00 H new ATOM 1549 N THR A 98 -5.941 -12.789 20.862 1.00 0.00 N ATOM 1550 CA THR A 98 -4.733 -13.474 21.303 1.00 0.00 C ATOM 1551 C THR A 98 -4.740 -14.935 20.868 1.00 0.00 C ATOM 1552 O THR A 98 -5.560 -15.728 21.333 1.00 0.00 O ATOM 1553 CB THR A 98 -4.576 -13.407 22.834 1.00 0.00 C ATOM 1554 OG1 THR A 98 -5.728 -13.970 23.470 1.00 0.00 O ATOM 1555 CG2 THR A 98 -4.387 -11.970 23.296 1.00 0.00 C ATOM 0 H THR A 98 -6.810 -13.241 21.146 1.00 0.00 H new ATOM 0 HA THR A 98 -3.891 -12.962 20.836 1.00 0.00 H new ATOM 0 HB THR A 98 -3.692 -13.981 23.112 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.033 -14.751 22.963 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.278 -11.948 24.380 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.492 -11.554 22.833 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.255 -11.377 23.006 1.00 0.00 H new ATOM 1563 N VAL A 99 -3.822 -15.286 19.974 1.00 0.00 N ATOM 1564 CA VAL A 99 -3.722 -16.653 19.477 1.00 0.00 C ATOM 1565 C VAL A 99 -2.306 -17.196 19.643 1.00 0.00 C ATOM 1566 O VAL A 99 -1.338 -16.580 19.197 1.00 0.00 O ATOM 1567 CB VAL A 99 -4.123 -16.743 17.993 1.00 0.00 C ATOM 1568 CG1 VAL A 99 -3.978 -18.169 17.485 1.00 0.00 C ATOM 1569 CG2 VAL A 99 -5.545 -16.239 17.795 1.00 0.00 C ATOM 0 H VAL A 99 -3.136 -14.642 19.579 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.412 -17.255 20.069 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.452 -16.108 17.414 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.266 -18.212 16.435 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.941 -18.489 17.590 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.623 -18.829 18.065 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.813 -16.309 16.741 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.232 -16.846 18.385 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.611 -15.200 18.117 1.00 0.00 H new ATOM 1579 N PHE A 100 -2.194 -18.353 20.287 1.00 0.00 N ATOM 1580 CA PHE A 100 -0.896 -18.979 20.512 1.00 0.00 C ATOM 1581 C PHE A 100 -0.483 -19.822 19.309 1.00 0.00 C ATOM 1582 O PHE A 100 -1.281 -20.066 18.405 1.00 0.00 O ATOM 1583 CB PHE A 100 -0.938 -19.850 21.769 1.00 0.00 C ATOM 1584 CG PHE A 100 0.388 -19.959 22.467 1.00 0.00 C ATOM 1585 CD1 PHE A 100 1.068 -18.823 22.873 1.00 0.00 C ATOM 1586 CD2 PHE A 100 0.954 -21.199 22.715 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.288 -18.920 23.516 1.00 0.00 C ATOM 1588 CE2 PHE A 100 2.174 -21.303 23.358 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.842 -20.162 23.757 1.00 0.00 C ATOM 0 H PHE A 100 -2.985 -18.876 20.662 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.158 -18.189 20.650 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.672 -19.439 22.462 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.280 -20.849 21.498 1.00 0.00 H new ATOM 0 HD1 PHE A 100 0.640 -17.849 22.685 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.437 -22.094 22.403 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.807 -18.026 23.829 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.604 -22.275 23.548 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.796 -20.241 24.257 1.00 0.00 H new ATOM 1599 N ALA A 101 0.771 -20.264 19.307 1.00 0.00 N ATOM 1600 CA ALA A 101 1.290 -21.081 18.217 1.00 0.00 C ATOM 1601 C ALA A 101 0.577 -22.427 18.152 1.00 0.00 C ATOM 1602 O ALA A 101 0.147 -22.861 17.083 1.00 0.00 O ATOM 1603 CB ALA A 101 2.790 -21.283 18.378 1.00 0.00 C ATOM 0 H ALA A 101 1.445 -20.070 20.047 1.00 0.00 H new ATOM 0 HA ALA A 101 1.103 -20.555 17.281 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.165 -21.895 17.557 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.291 -20.315 18.367 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.990 -21.784 19.325 1.00 0.00 H new ATOM 1609 N SER A 102 0.455 -23.084 19.301 1.00 0.00 N ATOM 1610 CA SER A 102 -0.203 -24.383 19.373 1.00 0.00 C ATOM 1611 C SER A 102 -0.853 -24.588 20.737 1.00 0.00 C ATOM 1612 O SER A 102 -0.336 -24.163 21.771 1.00 0.00 O ATOM 1613 CB SER A 102 0.804 -25.503 19.102 1.00 0.00 C ATOM 1614 OG SER A 102 1.900 -25.431 19.997 1.00 0.00 O ATOM 0 H SER A 102 0.803 -22.738 20.195 1.00 0.00 H new ATOM 0 HA SER A 102 -0.982 -24.411 18.611 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.312 -26.471 19.202 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.164 -25.432 18.075 1.00 0.00 H new ATOM 0 HG SER A 102 2.528 -26.158 19.804 1.00 0.00 H new ATOM 1620 N PRO A 103 -2.017 -25.255 20.743 1.00 0.00 N ATOM 1621 CA PRO A 103 -2.765 -25.532 21.973 1.00 0.00 C ATOM 1622 C PRO A 103 -2.062 -26.554 22.860 1.00 0.00 C ATOM 1623 O PRO A 103 -1.207 -27.318 22.412 1.00 0.00 O ATOM 1624 CB PRO A 103 -4.094 -26.092 21.461 1.00 0.00 C ATOM 1625 CG PRO A 103 -3.775 -26.662 20.122 1.00 0.00 C ATOM 1626 CD PRO A 103 -2.692 -25.790 19.549 1.00 0.00 C ATOM 0 HA PRO A 103 -2.873 -24.643 22.594 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.487 -26.855 22.133 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.851 -25.311 21.389 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.440 -27.696 20.208 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.655 -26.665 19.479 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.007 -26.360 18.922 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.103 -24.993 18.929 1.00 0.00 H new ATOM 1634 N PRO A 104 -2.430 -26.572 24.150 1.00 0.00 N ATOM 1635 CA PRO A 104 -1.848 -27.497 25.127 1.00 0.00 C ATOM 1636 C PRO A 104 -2.274 -28.941 24.884 1.00 0.00 C ATOM 1637 O PRO A 104 -2.929 -29.245 23.886 1.00 0.00 O ATOM 1638 CB PRO A 104 -2.399 -26.994 26.464 1.00 0.00 C ATOM 1639 CG PRO A 104 -3.667 -26.296 26.112 1.00 0.00 C ATOM 1640 CD PRO A 104 -3.444 -25.690 24.754 1.00 0.00 C ATOM 0 HA PRO A 104 -0.759 -27.510 25.077 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.579 -27.819 27.153 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -1.697 -26.318 26.952 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.504 -26.993 26.095 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.907 -25.528 26.847 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.362 -25.671 24.166 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.091 -24.661 24.826 1.00 0.00 H new ATOM 1648 N CYS A 105 -1.900 -29.825 25.802 1.00 0.00 N ATOM 1649 CA CYS A 105 -2.244 -31.238 25.686 1.00 0.00 C ATOM 1650 C CYS A 105 -1.873 -31.778 24.309 1.00 0.00 C ATOM 1651 O CYS A 105 -2.670 -32.457 23.662 1.00 0.00 O ATOM 1652 CB CYS A 105 -3.738 -31.443 25.942 1.00 0.00 C ATOM 1653 SG CYS A 105 -4.198 -33.155 26.298 1.00 0.00 S ATOM 0 H CYS A 105 -1.359 -29.589 26.634 1.00 0.00 H new ATOM 0 HA CYS A 105 -1.675 -31.787 26.436 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.042 -30.815 26.779 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.295 -31.102 25.069 1.00 0.00 H new ATOM 0 HG CYS A 105 -5.480 -33.226 26.502 1.00 0.00 H new ATOM 1659 N ARG A 106 -0.659 -31.469 23.866 1.00 0.00 N ATOM 1660 CA ARG A 106 -0.183 -31.921 22.564 1.00 0.00 C ATOM 1661 C ARG A 106 -0.382 -33.425 22.404 1.00 0.00 C ATOM 1662 O ARG A 106 -0.003 -34.208 23.274 1.00 0.00 O ATOM 1663 CB ARG A 106 1.296 -31.570 22.388 1.00 0.00 C ATOM 1664 CG ARG A 106 1.528 -30.196 21.782 1.00 0.00 C ATOM 1665 CD ARG A 106 1.547 -29.112 22.848 1.00 0.00 C ATOM 1666 NE ARG A 106 2.715 -29.222 23.719 1.00 0.00 N ATOM 1667 CZ ARG A 106 3.165 -28.225 24.473 1.00 0.00 C ATOM 1668 NH1 ARG A 106 2.549 -27.051 24.463 1.00 0.00 N ATOM 1669 NH2 ARG A 106 4.234 -28.402 25.239 1.00 0.00 N ATOM 0 H ARG A 106 0.013 -30.908 24.389 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.765 -31.411 21.796 1.00 0.00 H new ATOM 0 HB2 ARG A 106 1.790 -31.618 23.358 1.00 0.00 H new ATOM 0 HB3 ARG A 106 1.766 -32.322 21.754 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.474 -30.191 21.240 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.744 -29.980 21.056 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.542 -28.133 22.369 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.640 -29.178 23.448 1.00 0.00 H new ATOM 0 HE ARG A 106 3.212 -30.112 23.750 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.727 -26.911 23.875 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.897 -26.288 25.043 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.711 -29.304 25.249 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.579 -27.636 25.818 1.00 0.00 H new ATOM 1683 N GLY A 107 -0.982 -33.822 21.285 1.00 0.00 N ATOM 1684 CA GLY A 107 -1.222 -35.230 21.032 1.00 0.00 C ATOM 1685 C GLY A 107 0.056 -36.045 21.030 1.00 0.00 C ATOM 1686 O GLY A 107 0.467 -36.565 19.993 1.00 0.00 O ATOM 0 H GLY A 107 -1.306 -33.193 20.550 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.898 -35.622 21.792 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.723 -35.343 20.070 1.00 0.00 H new TER 1690 GLY A 107