USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 747 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 29 HIS :FLIP no HE2:sc= -2.1 F(o=-2.9!,f=-2.1) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 47 SER OG : rot -51:sc= 0.684 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 SER OG : rot 170:sc= 0.477 USER MOD Set 3.2: A 36 ASN : amide:sc= -0.972 K(o=-0.49,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.0597 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 9 SER OG : rot 21:sc= 0.901 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.104 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -40:sc= 1.24 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 3:sc= 0.151 USER MOD Single : A 37 SER OG : rot 180:sc= -1.84! USER MOD Single : A 38 ASN : amide:sc= -4.09 K(o=-4.1,f=-7.8!) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= 0.879 (180deg=-1.29!) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc=-0.00161 (180deg=-0.661) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.483 F(o=-1.7,f=-0.48) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -1.69 F(o=-3!,f=-1.7) USER MOD Single : A 52 CYS SG : rot 120:sc= -0.688 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -41:sc= 0.7 USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= 0.0267 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.428 USER MOD Single : A 74 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.25) USER MOD Single : A 81 SER OG : rot 69:sc= 0.817! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0482 X(o=-0.048,f=-0.49) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.823 5.025 37.432 1.00 0.00 N ATOM 2 CA GLY A 1 -7.022 5.354 36.030 1.00 0.00 C ATOM 3 C GLY A 1 -5.914 6.278 35.521 1.00 0.00 C ATOM 4 O GLY A 1 -5.282 6.985 36.305 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.746 4.878 37.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.257 4.156 37.508 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.323 5.805 37.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.039 4.440 35.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.991 5.836 35.900 1.00 0.00 H new ATOM 8 N SER A 2 -5.711 6.241 34.213 1.00 0.00 N ATOM 9 CA SER A 2 -4.690 7.066 33.590 1.00 0.00 C ATOM 10 C SER A 2 -5.225 7.667 32.288 1.00 0.00 C ATOM 11 O SER A 2 -5.262 8.887 32.133 1.00 0.00 O ATOM 12 CB SER A 2 -3.419 6.259 33.319 1.00 0.00 C ATOM 13 OG SER A 2 -2.614 6.123 34.487 1.00 0.00 O ATOM 0 H SER A 2 -6.236 5.652 33.567 1.00 0.00 H new ATOM 0 HA SER A 2 -4.436 7.873 34.278 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.689 5.270 32.948 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.840 6.747 32.535 1.00 0.00 H new ATOM 0 HG SER A 2 -1.813 5.600 34.273 1.00 0.00 H new ATOM 19 N SER A 3 -5.625 6.783 31.386 1.00 0.00 N ATOM 20 CA SER A 3 -6.156 7.211 30.103 1.00 0.00 C ATOM 21 C SER A 3 -7.323 6.311 29.693 1.00 0.00 C ATOM 22 O SER A 3 -7.118 5.167 29.290 1.00 0.00 O ATOM 23 CB SER A 3 -5.070 7.195 29.025 1.00 0.00 C ATOM 24 OG SER A 3 -4.150 8.273 29.178 1.00 0.00 O ATOM 0 H SER A 3 -5.592 5.772 31.518 1.00 0.00 H new ATOM 0 HA SER A 3 -6.514 8.235 30.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.530 6.249 29.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.535 7.252 28.041 1.00 0.00 H new ATOM 0 HG SER A 3 -3.472 8.227 28.472 1.00 0.00 H new ATOM 30 N GLY A 4 -8.522 6.861 29.812 1.00 0.00 N ATOM 31 CA GLY A 4 -9.723 6.122 29.459 1.00 0.00 C ATOM 32 C GLY A 4 -10.598 6.926 28.494 1.00 0.00 C ATOM 33 O GLY A 4 -10.405 8.130 28.333 1.00 0.00 O ATOM 0 H GLY A 4 -8.688 7.810 30.148 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.448 5.172 29.001 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.289 5.889 30.361 1.00 0.00 H new ATOM 37 N SER A 5 -11.540 6.227 27.878 1.00 0.00 N ATOM 38 CA SER A 5 -12.444 6.861 26.934 1.00 0.00 C ATOM 39 C SER A 5 -11.649 7.490 25.788 1.00 0.00 C ATOM 40 O SER A 5 -10.426 7.599 25.864 1.00 0.00 O ATOM 41 CB SER A 5 -13.308 7.918 27.624 1.00 0.00 C ATOM 42 OG SER A 5 -14.528 7.372 28.118 1.00 0.00 O ATOM 0 H SER A 5 -11.697 5.228 28.014 1.00 0.00 H new ATOM 0 HA SER A 5 -13.107 6.096 26.530 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.749 8.361 28.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.529 8.721 26.921 1.00 0.00 H new ATOM 0 HG SER A 5 -15.050 8.078 28.553 1.00 0.00 H new ATOM 48 N SER A 6 -12.376 7.887 24.754 1.00 0.00 N ATOM 49 CA SER A 6 -11.753 8.503 23.595 1.00 0.00 C ATOM 50 C SER A 6 -12.509 9.776 23.209 1.00 0.00 C ATOM 51 O SER A 6 -13.722 9.862 23.392 1.00 0.00 O ATOM 52 CB SER A 6 -11.710 7.532 22.413 1.00 0.00 C ATOM 53 OG SER A 6 -10.453 7.564 21.742 1.00 0.00 O ATOM 0 H SER A 6 -13.390 7.794 24.695 1.00 0.00 H new ATOM 0 HA SER A 6 -10.727 8.763 23.855 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.906 6.520 22.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.503 7.782 21.709 1.00 0.00 H new ATOM 0 HG SER A 6 -10.465 6.930 20.995 1.00 0.00 H new ATOM 59 N GLY A 7 -11.760 10.734 22.682 1.00 0.00 N ATOM 60 CA GLY A 7 -12.344 11.998 22.269 1.00 0.00 C ATOM 61 C GLY A 7 -11.918 12.360 20.845 1.00 0.00 C ATOM 62 O GLY A 7 -10.800 12.824 20.626 1.00 0.00 O ATOM 0 H GLY A 7 -10.754 10.660 22.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.431 11.935 22.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.036 12.786 22.956 1.00 0.00 H new ATOM 66 N VAL A 8 -12.831 12.133 19.912 1.00 0.00 N ATOM 67 CA VAL A 8 -12.564 12.430 18.515 1.00 0.00 C ATOM 68 C VAL A 8 -12.719 13.933 18.278 1.00 0.00 C ATOM 69 O VAL A 8 -13.219 14.653 19.141 1.00 0.00 O ATOM 70 CB VAL A 8 -13.473 11.586 17.618 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.194 10.093 17.805 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.946 11.906 17.876 1.00 0.00 C ATOM 0 H VAL A 8 -13.757 11.747 20.096 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.538 12.165 18.258 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.252 11.840 16.581 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.853 9.516 17.156 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.156 9.882 17.548 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.374 9.817 18.844 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.571 11.293 17.226 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.188 11.693 18.917 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.131 12.960 17.669 1.00 0.00 H new ATOM 82 N SER A 9 -12.280 14.363 17.104 1.00 0.00 N ATOM 83 CA SER A 9 -12.364 15.768 16.743 1.00 0.00 C ATOM 84 C SER A 9 -11.902 15.965 15.298 1.00 0.00 C ATOM 85 O SER A 9 -10.728 15.768 14.986 1.00 0.00 O ATOM 86 CB SER A 9 -11.528 16.631 17.690 1.00 0.00 C ATOM 87 OG SER A 9 -10.131 16.409 17.522 1.00 0.00 O ATOM 0 H SER A 9 -11.865 13.763 16.391 1.00 0.00 H new ATOM 0 HA SER A 9 -13.404 16.082 16.831 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.752 17.683 17.514 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.808 16.414 18.721 1.00 0.00 H new ATOM 0 HG SER A 9 -9.966 16.019 16.638 1.00 0.00 H new ATOM 93 N GLY A 10 -12.848 16.352 14.455 1.00 0.00 N ATOM 94 CA GLY A 10 -12.552 16.579 13.051 1.00 0.00 C ATOM 95 C GLY A 10 -11.958 15.324 12.406 1.00 0.00 C ATOM 96 O GLY A 10 -12.500 14.230 12.555 1.00 0.00 O ATOM 0 H GLY A 10 -13.820 16.514 14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.463 16.866 12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.852 17.409 12.953 1.00 0.00 H new ATOM 100 N ARG A 11 -10.853 15.525 11.705 1.00 0.00 N ATOM 101 CA ARG A 11 -10.179 14.424 11.037 1.00 0.00 C ATOM 102 C ARG A 11 -8.784 14.217 11.630 1.00 0.00 C ATOM 103 O ARG A 11 -7.961 15.131 11.624 1.00 0.00 O ATOM 104 CB ARG A 11 -10.054 14.684 9.535 1.00 0.00 C ATOM 105 CG ARG A 11 -11.174 13.986 8.762 1.00 0.00 C ATOM 106 CD ARG A 11 -10.835 12.514 8.515 1.00 0.00 C ATOM 107 NE ARG A 11 -12.020 11.805 7.981 1.00 0.00 N ATOM 108 CZ ARG A 11 -13.027 11.350 8.739 1.00 0.00 C ATOM 109 NH1 ARG A 11 -13.000 11.528 10.066 1.00 0.00 N ATOM 110 NH2 ARG A 11 -14.062 10.717 8.168 1.00 0.00 N ATOM 0 H ARG A 11 -10.407 16.434 11.585 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.779 13.527 11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.089 15.757 9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.087 14.329 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.107 14.059 9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.333 14.491 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.006 12.436 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.509 12.046 9.444 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.073 11.654 6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.213 12.010 10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.767 11.182 10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.082 10.582 7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.829 10.370 8.744 1.00 0.00 H new ATOM 124 N GLU A 12 -8.561 13.009 12.128 1.00 0.00 N ATOM 125 CA GLU A 12 -7.280 12.671 12.724 1.00 0.00 C ATOM 126 C GLU A 12 -6.702 11.418 12.063 1.00 0.00 C ATOM 127 O GLU A 12 -7.440 10.616 11.492 1.00 0.00 O ATOM 128 CB GLU A 12 -7.411 12.482 14.236 1.00 0.00 C ATOM 129 CG GLU A 12 -7.843 13.783 14.916 1.00 0.00 C ATOM 130 CD GLU A 12 -6.647 14.716 15.124 1.00 0.00 C ATOM 131 OE1 GLU A 12 -6.341 15.466 14.172 1.00 0.00 O ATOM 132 OE2 GLU A 12 -6.067 14.657 16.229 1.00 0.00 O ATOM 0 H GLU A 12 -9.246 12.253 12.131 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.592 13.499 12.553 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.139 11.698 14.446 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.458 12.151 14.649 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.597 14.283 14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.306 13.559 15.877 1.00 0.00 H new ATOM 139 N PRO A 13 -5.352 11.285 12.165 1.00 0.00 N ATOM 140 CA PRO A 13 -4.666 10.143 11.584 1.00 0.00 C ATOM 141 C PRO A 13 -4.888 8.884 12.424 1.00 0.00 C ATOM 142 O PRO A 13 -5.264 8.972 13.593 1.00 0.00 O ATOM 143 CB PRO A 13 -3.206 10.557 11.509 1.00 0.00 C ATOM 144 CG PRO A 13 -3.054 11.724 12.471 1.00 0.00 C ATOM 145 CD PRO A 13 -4.446 12.215 12.833 1.00 0.00 C ATOM 0 HA PRO A 13 -5.044 9.884 10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.551 9.732 11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.934 10.849 10.495 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.514 11.413 13.366 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.475 12.525 12.011 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.599 12.211 13.912 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.606 13.238 12.492 1.00 0.00 H new ATOM 153 N SER A 14 -4.647 7.742 11.797 1.00 0.00 N ATOM 154 CA SER A 14 -4.816 6.467 12.473 1.00 0.00 C ATOM 155 C SER A 14 -3.480 6.005 13.060 1.00 0.00 C ATOM 156 O SER A 14 -2.493 5.875 12.337 1.00 0.00 O ATOM 157 CB SER A 14 -5.372 5.408 11.520 1.00 0.00 C ATOM 158 OG SER A 14 -6.559 4.804 12.027 1.00 0.00 O ATOM 0 H SER A 14 -4.336 7.673 10.828 1.00 0.00 H new ATOM 0 HA SER A 14 -5.534 6.601 13.282 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.582 5.865 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.617 4.640 11.352 1.00 0.00 H new ATOM 0 HG SER A 14 -6.884 4.135 11.389 1.00 0.00 H new ATOM 164 N SER A 15 -3.493 5.769 14.363 1.00 0.00 N ATOM 165 CA SER A 15 -2.295 5.324 15.055 1.00 0.00 C ATOM 166 C SER A 15 -1.097 6.174 14.626 1.00 0.00 C ATOM 167 O SER A 15 -1.267 7.243 14.041 1.00 0.00 O ATOM 168 CB SER A 15 -2.020 3.844 14.783 1.00 0.00 C ATOM 169 OG SER A 15 -3.211 3.063 14.822 1.00 0.00 O ATOM 0 H SER A 15 -4.314 5.877 14.958 1.00 0.00 H new ATOM 0 HA SER A 15 -2.454 5.445 16.127 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.548 3.737 13.806 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.314 3.465 15.522 1.00 0.00 H new ATOM 0 HG SER A 15 -3.020 2.159 14.495 1.00 0.00 H new ATOM 175 N ARG A 16 0.088 5.667 14.934 1.00 0.00 N ATOM 176 CA ARG A 16 1.314 6.366 14.588 1.00 0.00 C ATOM 177 C ARG A 16 1.577 6.263 13.084 1.00 0.00 C ATOM 178 O ARG A 16 1.771 5.168 12.558 1.00 0.00 O ATOM 179 CB ARG A 16 2.510 5.791 15.349 1.00 0.00 C ATOM 180 CG ARG A 16 3.047 6.798 16.368 1.00 0.00 C ATOM 181 CD ARG A 16 4.341 7.445 15.869 1.00 0.00 C ATOM 182 NE ARG A 16 5.312 7.557 16.981 1.00 0.00 N ATOM 183 CZ ARG A 16 6.414 8.318 16.942 1.00 0.00 C ATOM 184 NH1 ARG A 16 6.692 9.039 15.847 1.00 0.00 N ATOM 185 NH2 ARG A 16 7.238 8.359 17.998 1.00 0.00 N ATOM 0 H ARG A 16 0.225 4.780 15.419 1.00 0.00 H new ATOM 0 HA ARG A 16 1.190 7.412 14.868 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.214 4.874 15.859 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.299 5.524 14.646 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.298 7.569 16.553 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.230 6.297 17.319 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.767 6.850 15.062 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.129 8.433 15.459 1.00 0.00 H new ATOM 0 HE ARG A 16 5.131 7.021 17.830 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.065 9.008 15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.531 9.618 15.817 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.026 7.811 18.832 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.077 8.938 17.968 1.00 0.00 H new ATOM 199 N ILE A 17 1.577 7.418 12.435 1.00 0.00 N ATOM 200 CA ILE A 17 1.813 7.471 11.002 1.00 0.00 C ATOM 201 C ILE A 17 3.320 7.480 10.738 1.00 0.00 C ATOM 202 O ILE A 17 4.101 7.892 11.595 1.00 0.00 O ATOM 203 CB ILE A 17 1.073 8.658 10.381 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.355 8.757 10.920 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.105 8.584 8.853 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.254 7.691 10.290 1.00 0.00 C ATOM 0 H ILE A 17 1.417 8.324 12.875 1.00 0.00 H new ATOM 0 HA ILE A 17 1.409 6.583 10.516 1.00 0.00 H new ATOM 0 HB ILE A 17 1.590 9.573 10.671 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.348 8.638 12.003 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.758 9.748 10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.572 9.439 8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.139 8.598 8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.626 7.662 8.523 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.264 7.783 10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.278 7.828 9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.861 6.701 10.521 1.00 0.00 H new ATOM 218 N ILE A 18 3.683 7.021 9.550 1.00 0.00 N ATOM 219 CA ILE A 18 5.083 6.971 9.163 1.00 0.00 C ATOM 220 C ILE A 18 5.216 7.370 7.692 1.00 0.00 C ATOM 221 O ILE A 18 4.252 7.283 6.932 1.00 0.00 O ATOM 222 CB ILE A 18 5.679 5.598 9.483 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.781 4.475 8.961 1.00 0.00 C ATOM 224 CG2 ILE A 18 5.959 5.458 10.981 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.559 3.163 8.837 1.00 0.00 C ATOM 0 H ILE A 18 3.032 6.680 8.842 1.00 0.00 H new ATOM 0 HA ILE A 18 5.664 7.689 9.743 1.00 0.00 H new ATOM 0 HB ILE A 18 6.635 5.512 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.935 4.338 9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.373 4.753 7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.382 4.474 11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.666 6.227 11.292 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.029 5.573 11.537 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.897 2.381 8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.390 3.297 8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.945 2.875 9.815 1.00 0.00 H new ATOM 237 N ARG A 19 6.417 7.800 7.335 1.00 0.00 N ATOM 238 CA ARG A 19 6.688 8.214 5.968 1.00 0.00 C ATOM 239 C ARG A 19 7.267 7.047 5.166 1.00 0.00 C ATOM 240 O ARG A 19 8.444 6.719 5.302 1.00 0.00 O ATOM 241 CB ARG A 19 7.670 9.386 5.932 1.00 0.00 C ATOM 242 CG ARG A 19 7.972 9.804 4.492 1.00 0.00 C ATOM 243 CD ARG A 19 8.734 11.130 4.454 1.00 0.00 C ATOM 244 NE ARG A 19 10.000 10.965 3.704 1.00 0.00 N ATOM 245 CZ ARG A 19 10.979 11.878 3.673 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.846 13.027 4.349 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.093 11.643 2.965 1.00 0.00 N ATOM 0 H ARG A 19 7.214 7.871 7.968 1.00 0.00 H new ATOM 0 HA ARG A 19 5.745 8.532 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.253 10.231 6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.596 9.105 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.560 9.029 4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.040 9.900 3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.120 11.898 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.944 11.467 5.469 1.00 0.00 H new ATOM 0 HE ARG A 19 10.135 10.102 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.999 13.207 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.592 13.722 4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.195 10.769 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.839 12.339 2.942 1.00 0.00 H new ATOM 261 N VAL A 20 6.412 6.452 4.346 1.00 0.00 N ATOM 262 CA VAL A 20 6.825 5.329 3.521 1.00 0.00 C ATOM 263 C VAL A 20 6.970 5.793 2.071 1.00 0.00 C ATOM 264 O VAL A 20 5.986 6.165 1.433 1.00 0.00 O ATOM 265 CB VAL A 20 5.837 4.171 3.683 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.270 2.962 2.851 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.672 3.793 5.156 1.00 0.00 C ATOM 0 H VAL A 20 5.436 6.726 4.236 1.00 0.00 H new ATOM 0 HA VAL A 20 7.798 4.956 3.841 1.00 0.00 H new ATOM 0 HB VAL A 20 4.867 4.503 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.552 2.153 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.312 3.241 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.255 2.629 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.965 2.968 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.636 3.489 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.297 4.652 5.712 1.00 0.00 H new ATOM 277 N SER A 21 8.204 5.756 1.592 1.00 0.00 N ATOM 278 CA SER A 21 8.491 6.168 0.228 1.00 0.00 C ATOM 279 C SER A 21 8.070 5.070 -0.750 1.00 0.00 C ATOM 280 O SER A 21 8.696 4.013 -0.809 1.00 0.00 O ATOM 281 CB SER A 21 9.975 6.495 0.052 1.00 0.00 C ATOM 282 OG SER A 21 10.428 7.451 1.006 1.00 0.00 O ATOM 0 H SER A 21 9.018 5.447 2.124 1.00 0.00 H new ATOM 0 HA SER A 21 7.920 7.072 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.561 5.581 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.145 6.878 -0.954 1.00 0.00 H new ATOM 0 HG SER A 21 11.380 7.632 0.861 1.00 0.00 H new ATOM 288 N VAL A 22 7.011 5.358 -1.493 1.00 0.00 N ATOM 289 CA VAL A 22 6.499 4.408 -2.466 1.00 0.00 C ATOM 290 C VAL A 22 7.199 4.631 -3.808 1.00 0.00 C ATOM 291 O VAL A 22 7.142 5.725 -4.367 1.00 0.00 O ATOM 292 CB VAL A 22 4.976 4.524 -2.559 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.456 3.894 -3.853 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.302 3.900 -1.336 1.00 0.00 C ATOM 0 H VAL A 22 6.494 6.236 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 22 6.715 3.387 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 22 4.722 5.584 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.371 3.990 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.898 4.404 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.728 2.839 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.220 3.996 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.568 2.845 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.637 4.413 -0.435 1.00 0.00 H new ATOM 304 N LYS A 23 7.843 3.576 -4.285 1.00 0.00 N ATOM 305 CA LYS A 23 8.553 3.643 -5.551 1.00 0.00 C ATOM 306 C LYS A 23 7.658 3.093 -6.663 1.00 0.00 C ATOM 307 O LYS A 23 7.285 1.921 -6.642 1.00 0.00 O ATOM 308 CB LYS A 23 9.906 2.936 -5.445 1.00 0.00 C ATOM 309 CG LYS A 23 11.006 3.752 -6.125 1.00 0.00 C ATOM 310 CD LYS A 23 11.767 4.603 -5.106 1.00 0.00 C ATOM 311 CE LYS A 23 13.195 4.087 -4.918 1.00 0.00 C ATOM 312 NZ LYS A 23 14.087 5.182 -4.475 1.00 0.00 N ATOM 0 H LYS A 23 7.888 2.670 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 23 8.779 4.678 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.159 2.782 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.842 1.950 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.699 3.082 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.567 4.396 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.792 5.640 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.242 4.588 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.204 3.283 -4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.562 3.667 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.052 4.815 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.092 5.937 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.744 5.565 -3.571 1.00 0.00 H new ATOM 326 N THR A 24 7.338 3.965 -7.608 1.00 0.00 N ATOM 327 CA THR A 24 6.494 3.581 -8.726 1.00 0.00 C ATOM 328 C THR A 24 7.304 3.559 -10.024 1.00 0.00 C ATOM 329 O THR A 24 8.362 4.182 -10.110 1.00 0.00 O ATOM 330 CB THR A 24 5.302 4.540 -8.770 1.00 0.00 C ATOM 331 OG1 THR A 24 5.821 5.709 -9.398 1.00 0.00 O ATOM 332 CG2 THR A 24 4.885 5.018 -7.378 1.00 0.00 C ATOM 0 H THR A 24 7.648 4.937 -7.622 1.00 0.00 H new ATOM 0 HA THR A 24 6.111 2.568 -8.602 1.00 0.00 H new ATOM 0 HB THR A 24 4.457 4.049 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.727 5.882 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.036 5.696 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.603 4.160 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.718 5.540 -6.908 1.00 0.00 H new ATOM 340 N PRO A 25 6.763 2.817 -11.027 1.00 0.00 N ATOM 341 CA PRO A 25 7.424 2.706 -12.316 1.00 0.00 C ATOM 342 C PRO A 25 7.258 3.991 -13.130 1.00 0.00 C ATOM 343 O PRO A 25 6.650 3.978 -14.199 1.00 0.00 O ATOM 344 CB PRO A 25 6.790 1.495 -12.981 1.00 0.00 C ATOM 345 CG PRO A 25 5.482 1.253 -12.244 1.00 0.00 C ATOM 346 CD PRO A 25 5.513 2.067 -10.961 1.00 0.00 C ATOM 0 HA PRO A 25 8.502 2.575 -12.226 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.613 1.679 -14.041 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.443 0.625 -12.913 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.635 1.548 -12.863 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.360 0.193 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.654 2.735 -10.895 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.484 1.422 -10.082 1.00 0.00 H new ATOM 354 N GLN A 26 7.808 5.069 -12.593 1.00 0.00 N ATOM 355 CA GLN A 26 7.728 6.360 -13.256 1.00 0.00 C ATOM 356 C GLN A 26 8.385 7.441 -12.395 1.00 0.00 C ATOM 357 O GLN A 26 9.140 8.269 -12.902 1.00 0.00 O ATOM 358 CB GLN A 26 6.277 6.722 -13.578 1.00 0.00 C ATOM 359 CG GLN A 26 6.094 6.974 -15.076 1.00 0.00 C ATOM 360 CD GLN A 26 4.825 7.785 -15.345 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.843 9.002 -15.436 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.726 7.047 -15.465 1.00 0.00 N ATOM 0 H GLN A 26 8.311 5.076 -11.706 1.00 0.00 H new ATOM 0 HA GLN A 26 8.270 6.296 -14.200 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.618 5.915 -13.258 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.987 7.611 -13.018 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.960 7.507 -15.467 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.040 6.022 -15.605 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.781 6.032 -15.378 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.828 7.495 -15.644 1.00 0.00 H new ATOM 371 N ASP A 27 8.074 7.397 -11.108 1.00 0.00 N ATOM 372 CA ASP A 27 8.625 8.362 -10.172 1.00 0.00 C ATOM 373 C ASP A 27 8.478 7.825 -8.747 1.00 0.00 C ATOM 374 O ASP A 27 8.221 6.639 -8.550 1.00 0.00 O ATOM 375 CB ASP A 27 7.879 9.696 -10.254 1.00 0.00 C ATOM 376 CG ASP A 27 8.774 10.936 -10.292 1.00 0.00 C ATOM 377 OD1 ASP A 27 9.871 10.826 -10.881 1.00 0.00 O ATOM 378 OD2 ASP A 27 8.341 11.966 -9.732 1.00 0.00 O ATOM 0 H ASP A 27 7.448 6.708 -10.691 1.00 0.00 H new ATOM 0 HA ASP A 27 9.673 8.518 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.253 9.691 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.211 9.775 -9.396 1.00 0.00 H new ATOM 383 N CYS A 28 8.649 8.725 -7.789 1.00 0.00 N ATOM 384 CA CYS A 28 8.539 8.356 -6.388 1.00 0.00 C ATOM 385 C CYS A 28 7.379 9.143 -5.774 1.00 0.00 C ATOM 386 O CYS A 28 7.087 10.259 -6.200 1.00 0.00 O ATOM 387 CB CYS A 28 9.850 8.592 -5.636 1.00 0.00 C ATOM 388 SG CYS A 28 10.050 10.374 -5.271 1.00 0.00 S ATOM 0 H CYS A 28 8.863 9.708 -7.956 1.00 0.00 H new ATOM 0 HA CYS A 28 8.337 7.288 -6.305 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.855 8.020 -4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.690 8.238 -6.233 1.00 0.00 H new ATOM 0 HG CYS A 28 9.003 11.022 -5.687 1.00 0.00 H new ATOM 394 N HIS A 29 6.750 8.530 -4.782 1.00 0.00 N ATOM 395 CA HIS A 29 5.628 9.159 -4.105 1.00 0.00 C ATOM 396 C HIS A 29 5.643 8.776 -2.624 1.00 0.00 C ATOM 397 O HIS A 29 5.462 7.610 -2.278 1.00 0.00 O ATOM 398 CB HIS A 29 4.309 8.806 -4.795 1.00 0.00 C ATOM 399 CG HIS A 29 4.154 9.412 -6.170 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.550 10.621 -6.661 1.00 0.00 N flip ATOM 401 CD2 HIS A 29 3.527 8.753 -7.213 1.00 0.00 C flip ATOM 402 CE1 HIS A 29 4.185 10.697 -7.935 1.00 0.00 C flip ATOM 403 NE2 HIS A 29 3.551 9.539 -8.279 1.00 0.00 N flip ATOM 0 H HIS A 29 6.996 7.604 -4.431 1.00 0.00 H new ATOM 0 HA HIS A 29 5.723 10.243 -4.166 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.232 7.722 -4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.482 9.138 -4.167 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.043 11.344 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.092 7.766 -7.166 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.361 11.537 -8.591 1.00 0.00 H new ATOM 411 N GLU A 30 5.862 9.781 -1.788 1.00 0.00 N ATOM 412 CA GLU A 30 5.903 9.565 -0.352 1.00 0.00 C ATOM 413 C GLU A 30 4.488 9.601 0.231 1.00 0.00 C ATOM 414 O GLU A 30 3.707 10.498 -0.082 1.00 0.00 O ATOM 415 CB GLU A 30 6.804 10.595 0.332 1.00 0.00 C ATOM 416 CG GLU A 30 8.145 9.974 0.726 1.00 0.00 C ATOM 417 CD GLU A 30 8.951 9.578 -0.512 1.00 0.00 C ATOM 418 OE1 GLU A 30 8.441 8.730 -1.275 1.00 0.00 O ATOM 419 OE2 GLU A 30 10.061 10.133 -0.668 1.00 0.00 O ATOM 0 H GLU A 30 6.013 10.747 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 30 6.327 8.579 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.972 11.438 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.306 10.987 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.716 10.683 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.974 9.096 1.349 1.00 0.00 H new ATOM 426 N PHE A 31 4.202 8.614 1.067 1.00 0.00 N ATOM 427 CA PHE A 31 2.896 8.521 1.697 1.00 0.00 C ATOM 428 C PHE A 31 3.019 8.542 3.222 1.00 0.00 C ATOM 429 O PHE A 31 4.113 8.387 3.762 1.00 0.00 O ATOM 430 CB PHE A 31 2.285 7.187 1.264 1.00 0.00 C ATOM 431 CG PHE A 31 1.756 7.181 -0.172 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.618 7.323 -1.214 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.425 7.032 -0.405 1.00 0.00 C ATOM 434 CE1 PHE A 31 2.128 7.318 -2.546 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.065 7.026 -1.738 1.00 0.00 C ATOM 436 CZ PHE A 31 0.796 7.169 -2.780 1.00 0.00 C ATOM 0 H PHE A 31 4.853 7.871 1.323 1.00 0.00 H new ATOM 0 HA PHE A 31 2.278 9.368 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.037 6.405 1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.469 6.936 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.675 7.440 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.259 6.918 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.812 7.432 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.122 6.908 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.423 7.164 -3.793 1.00 0.00 H new ATOM 446 N PHE A 32 1.882 8.735 3.873 1.00 0.00 N ATOM 447 CA PHE A 32 1.848 8.778 5.325 1.00 0.00 C ATOM 448 C PHE A 32 0.623 8.040 5.867 1.00 0.00 C ATOM 449 O PHE A 32 -0.486 8.571 5.845 1.00 0.00 O ATOM 450 CB PHE A 32 1.760 10.252 5.727 1.00 0.00 C ATOM 451 CG PHE A 32 3.106 10.980 5.723 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.882 10.979 6.839 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.526 11.627 4.603 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.131 11.654 6.836 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.775 12.302 4.599 1.00 0.00 C ATOM 456 CZ PHE A 32 5.551 12.302 5.716 1.00 0.00 C ATOM 0 H PHE A 32 0.976 8.864 3.421 1.00 0.00 H new ATOM 0 HA PHE A 32 2.738 8.298 5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.080 10.764 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.324 10.321 6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.548 10.465 7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.909 11.627 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.748 11.653 7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.109 12.815 3.709 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.501 12.816 5.714 1.00 0.00 H new ATOM 466 N LEU A 33 0.865 6.827 6.341 1.00 0.00 N ATOM 467 CA LEU A 33 -0.205 6.010 6.889 1.00 0.00 C ATOM 468 C LEU A 33 0.266 5.370 8.197 1.00 0.00 C ATOM 469 O LEU A 33 1.459 5.363 8.494 1.00 0.00 O ATOM 470 CB LEU A 33 -0.691 4.997 5.850 1.00 0.00 C ATOM 471 CG LEU A 33 0.328 3.944 5.410 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.589 4.603 4.846 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.649 2.981 6.555 1.00 0.00 C ATOM 0 H LEU A 33 1.786 6.390 6.357 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.071 6.627 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.563 4.483 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.023 5.543 4.967 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.115 3.355 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.297 3.832 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.325 5.215 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.045 5.231 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.376 2.242 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.063 3.539 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.263 2.474 6.871 1.00 0.00 H new ATOM 485 N ALA A 34 -0.697 4.849 8.943 1.00 0.00 N ATOM 486 CA ALA A 34 -0.396 4.209 10.212 1.00 0.00 C ATOM 487 C ALA A 34 0.740 3.203 10.015 1.00 0.00 C ATOM 488 O ALA A 34 0.711 2.403 9.081 1.00 0.00 O ATOM 489 CB ALA A 34 -1.663 3.555 10.767 1.00 0.00 C ATOM 0 H ALA A 34 -1.686 4.857 8.693 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.061 4.945 10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.437 3.075 11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.429 4.316 10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.026 2.808 10.061 1.00 0.00 H new ATOM 495 N GLU A 35 1.715 3.278 10.909 1.00 0.00 N ATOM 496 CA GLU A 35 2.859 2.384 10.845 1.00 0.00 C ATOM 497 C GLU A 35 2.435 0.954 11.184 1.00 0.00 C ATOM 498 O GLU A 35 3.178 0.006 10.932 1.00 0.00 O ATOM 499 CB GLU A 35 3.979 2.859 11.773 1.00 0.00 C ATOM 500 CG GLU A 35 3.577 2.704 13.241 1.00 0.00 C ATOM 501 CD GLU A 35 4.791 2.365 14.109 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.860 2.956 13.844 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.621 1.524 15.018 1.00 0.00 O ATOM 0 H GLU A 35 1.736 3.944 11.681 1.00 0.00 H new ATOM 0 HA GLU A 35 3.247 2.395 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.885 2.286 11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.211 3.903 11.564 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.118 3.627 13.596 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.827 1.919 13.335 1.00 0.00 H new ATOM 510 N ASN A 36 1.243 0.843 11.751 1.00 0.00 N ATOM 511 CA ASN A 36 0.711 -0.456 12.127 1.00 0.00 C ATOM 512 C ASN A 36 -0.505 -0.776 11.257 1.00 0.00 C ATOM 513 O ASN A 36 -1.491 -1.331 11.741 1.00 0.00 O ATOM 514 CB ASN A 36 0.262 -0.464 13.590 1.00 0.00 C ATOM 515 CG ASN A 36 -0.268 0.909 14.008 1.00 0.00 C ATOM 516 OD1 ASN A 36 -1.379 1.298 13.690 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.588 1.619 14.738 1.00 0.00 N ATOM 0 H ASN A 36 0.630 1.631 11.959 1.00 0.00 H new ATOM 0 HA ASN A 36 1.499 -1.196 11.987 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.514 -1.216 13.732 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.099 -0.745 14.229 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.329 2.549 15.067 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.504 1.233 14.969 1.00 0.00 H new ATOM 524 N SER A 37 -0.397 -0.413 9.987 1.00 0.00 N ATOM 525 CA SER A 37 -1.476 -0.655 9.045 1.00 0.00 C ATOM 526 C SER A 37 -1.124 -1.837 8.139 1.00 0.00 C ATOM 527 O SER A 37 -0.196 -1.753 7.336 1.00 0.00 O ATOM 528 CB SER A 37 -1.763 0.591 8.205 1.00 0.00 C ATOM 529 OG SER A 37 -2.824 1.370 8.749 1.00 0.00 O ATOM 0 H SER A 37 0.422 0.047 9.589 1.00 0.00 H new ATOM 0 HA SER A 37 -2.377 -0.894 9.610 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.862 1.201 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.018 0.292 7.188 1.00 0.00 H new ATOM 0 HG SER A 37 -2.975 2.157 8.185 1.00 0.00 H new ATOM 535 N ASN A 38 -1.885 -2.910 8.298 1.00 0.00 N ATOM 536 CA ASN A 38 -1.665 -4.107 7.504 1.00 0.00 C ATOM 537 C ASN A 38 -1.325 -3.706 6.067 1.00 0.00 C ATOM 538 O ASN A 38 -1.755 -2.655 5.594 1.00 0.00 O ATOM 539 CB ASN A 38 -2.921 -4.980 7.466 1.00 0.00 C ATOM 540 CG ASN A 38 -4.187 -4.125 7.552 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.417 -3.406 8.511 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.992 -4.243 6.500 1.00 0.00 N ATOM 0 H ASN A 38 -2.654 -2.975 8.965 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.848 -4.668 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.934 -5.564 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.900 -5.689 8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.863 -3.713 6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.739 -4.863 5.731 1.00 0.00 H new ATOM 549 N VAL A 39 -0.555 -4.564 5.414 1.00 0.00 N ATOM 550 CA VAL A 39 -0.152 -4.312 4.041 1.00 0.00 C ATOM 551 C VAL A 39 -1.355 -3.802 3.246 1.00 0.00 C ATOM 552 O VAL A 39 -1.244 -2.832 2.498 1.00 0.00 O ATOM 553 CB VAL A 39 0.471 -5.573 3.439 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.457 -5.515 1.910 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.891 -5.788 3.967 1.00 0.00 C ATOM 0 H VAL A 39 -0.200 -5.434 5.810 1.00 0.00 H new ATOM 0 HA VAL A 39 0.614 -3.537 4.004 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.134 -6.426 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.905 -6.423 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.571 -5.431 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.027 -4.649 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.311 -6.691 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.511 -4.931 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.864 -5.895 5.051 1.00 0.00 H new ATOM 565 N ARG A 40 -2.479 -4.479 3.435 1.00 0.00 N ATOM 566 CA ARG A 40 -3.702 -4.106 2.744 1.00 0.00 C ATOM 567 C ARG A 40 -3.966 -2.608 2.904 1.00 0.00 C ATOM 568 O ARG A 40 -3.933 -1.860 1.928 1.00 0.00 O ATOM 569 CB ARG A 40 -4.900 -4.889 3.285 1.00 0.00 C ATOM 570 CG ARG A 40 -5.790 -5.386 2.144 1.00 0.00 C ATOM 571 CD ARG A 40 -6.645 -6.573 2.593 1.00 0.00 C ATOM 572 NE ARG A 40 -8.080 -6.258 2.420 1.00 0.00 N ATOM 573 CZ ARG A 40 -8.815 -5.586 3.317 1.00 0.00 C ATOM 574 NH1 ARG A 40 -8.254 -5.155 4.455 1.00 0.00 N ATOM 575 NH2 ARG A 40 -10.111 -5.345 3.075 1.00 0.00 N ATOM 0 H ARG A 40 -2.568 -5.283 4.056 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.573 -4.345 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.549 -5.737 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.481 -4.255 3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.435 -4.577 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.171 -5.679 1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.386 -7.458 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.439 -6.806 3.638 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.539 -6.572 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.268 -5.338 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.813 -4.644 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.538 -5.673 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.671 -4.834 3.757 1.00 0.00 H new ATOM 589 N ARG A 41 -4.224 -2.214 4.143 1.00 0.00 N ATOM 590 CA ARG A 41 -4.494 -0.818 4.444 1.00 0.00 C ATOM 591 C ARG A 41 -3.560 0.088 3.639 1.00 0.00 C ATOM 592 O ARG A 41 -4.019 0.966 2.908 1.00 0.00 O ATOM 593 CB ARG A 41 -4.311 -0.531 5.935 1.00 0.00 C ATOM 594 CG ARG A 41 -5.537 -0.979 6.734 1.00 0.00 C ATOM 595 CD ARG A 41 -5.856 0.015 7.853 1.00 0.00 C ATOM 596 NE ARG A 41 -7.065 -0.420 8.587 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.317 -0.231 8.152 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.534 0.387 6.983 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.354 -0.660 8.885 1.00 0.00 N ATOM 0 H ARG A 41 -4.252 -2.837 4.950 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.529 -0.614 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.424 -1.048 6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.144 0.535 6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.395 -1.071 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.357 -1.966 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.011 0.088 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.013 1.009 7.434 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.936 -0.894 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.745 0.713 6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.488 0.531 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.190 -1.131 9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.308 -0.516 8.553 1.00 0.00 H new ATOM 613 N PHE A 42 -2.268 -0.154 3.800 1.00 0.00 N ATOM 614 CA PHE A 42 -1.266 0.629 3.097 1.00 0.00 C ATOM 615 C PHE A 42 -1.591 0.723 1.605 1.00 0.00 C ATOM 616 O PHE A 42 -1.473 1.791 1.006 1.00 0.00 O ATOM 617 CB PHE A 42 0.071 -0.095 3.271 1.00 0.00 C ATOM 618 CG PHE A 42 1.277 0.696 2.760 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.120 1.978 2.335 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.507 0.116 2.730 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.240 2.711 1.861 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.627 0.849 2.256 1.00 0.00 C ATOM 623 CZ PHE A 42 3.469 2.131 1.831 1.00 0.00 C ATOM 0 H PHE A 42 -1.891 -0.882 4.407 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.236 1.642 3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.217 -0.318 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.027 -1.050 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.143 2.439 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.632 -0.903 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.115 3.730 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.604 0.389 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.320 2.689 1.469 1.00 0.00 H new ATOM 633 N LYS A 43 -1.993 -0.409 1.047 1.00 0.00 N ATOM 634 CA LYS A 43 -2.336 -0.468 -0.364 1.00 0.00 C ATOM 635 C LYS A 43 -3.528 0.453 -0.634 1.00 0.00 C ATOM 636 O LYS A 43 -3.513 1.231 -1.586 1.00 0.00 O ATOM 637 CB LYS A 43 -2.567 -1.916 -0.800 1.00 0.00 C ATOM 638 CG LYS A 43 -1.268 -2.723 -0.732 1.00 0.00 C ATOM 639 CD LYS A 43 -1.558 -4.215 -0.560 1.00 0.00 C ATOM 640 CE LYS A 43 -0.835 -5.040 -1.627 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.697 -6.147 -2.099 1.00 0.00 N ATOM 0 H LYS A 43 -2.089 -1.293 1.546 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.508 -0.105 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.319 -2.377 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.959 -1.935 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.689 -2.564 -1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.659 -2.369 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.242 -4.539 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.632 -4.390 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.562 -4.401 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.092 -5.442 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.481 -6.355 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.521 -6.994 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.696 -5.870 -2.012 1.00 0.00 H new ATOM 655 N LYS A 44 -4.532 0.334 0.222 1.00 0.00 N ATOM 656 CA LYS A 44 -5.730 1.145 0.089 1.00 0.00 C ATOM 657 C LYS A 44 -5.332 2.579 -0.266 1.00 0.00 C ATOM 658 O LYS A 44 -5.816 3.137 -1.250 1.00 0.00 O ATOM 659 CB LYS A 44 -6.592 1.040 1.348 1.00 0.00 C ATOM 660 CG LYS A 44 -7.014 -0.408 1.605 1.00 0.00 C ATOM 661 CD LYS A 44 -8.421 -0.673 1.065 1.00 0.00 C ATOM 662 CE LYS A 44 -8.828 -2.130 1.289 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.011 -2.208 2.175 1.00 0.00 N ATOM 0 H LYS A 44 -4.540 -0.312 1.011 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.352 0.775 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.036 1.418 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.477 1.667 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.305 -1.087 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.986 -0.614 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.134 -0.012 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.456 -0.441 0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.051 -2.602 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.998 -2.682 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.533 -3.086 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.702 -2.202 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.630 -1.391 2.000 1.00 0.00 H new ATOM 677 N GLN A 45 -4.453 3.136 0.555 1.00 0.00 N ATOM 678 CA GLN A 45 -3.985 4.495 0.340 1.00 0.00 C ATOM 679 C GLN A 45 -3.496 4.666 -1.100 1.00 0.00 C ATOM 680 O GLN A 45 -3.809 5.661 -1.751 1.00 0.00 O ATOM 681 CB GLN A 45 -2.885 4.860 1.339 1.00 0.00 C ATOM 682 CG GLN A 45 -3.253 6.123 2.121 1.00 0.00 C ATOM 683 CD GLN A 45 -2.178 7.200 1.960 1.00 0.00 C ATOM 684 OE1 GLN A 45 -1.038 6.924 2.586 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 -2.371 8.214 1.310 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.053 2.671 1.370 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.820 5.177 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.727 4.032 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.945 5.016 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.212 6.506 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.374 5.879 3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.271 8.364 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.632 8.912 1.222 1.00 0.00 H new ATOM 694 N ILE A 46 -2.736 3.680 -1.554 1.00 0.00 N ATOM 695 CA ILE A 46 -2.200 3.709 -2.905 1.00 0.00 C ATOM 696 C ILE A 46 -3.354 3.647 -3.908 1.00 0.00 C ATOM 697 O ILE A 46 -3.458 4.494 -4.794 1.00 0.00 O ATOM 698 CB ILE A 46 -1.162 2.602 -3.093 1.00 0.00 C ATOM 699 CG1 ILE A 46 0.008 2.776 -2.122 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.693 2.532 -4.548 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.504 1.421 -1.613 1.00 0.00 C ATOM 0 H ILE A 46 -2.479 2.856 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.670 4.645 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.635 1.648 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.823 3.302 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.303 3.394 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.045 1.737 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.545 2.326 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.244 3.484 -4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.336 1.573 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.306 0.908 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.837 0.815 -2.456 1.00 0.00 H new ATOM 713 N SER A 47 -4.193 2.636 -3.734 1.00 0.00 N ATOM 714 CA SER A 47 -5.336 2.453 -4.613 1.00 0.00 C ATOM 715 C SER A 47 -6.045 3.790 -4.836 1.00 0.00 C ATOM 716 O SER A 47 -6.536 4.062 -5.930 1.00 0.00 O ATOM 717 CB SER A 47 -6.312 1.424 -4.039 1.00 0.00 C ATOM 718 OG SER A 47 -7.100 1.966 -2.983 1.00 0.00 O ATOM 0 H SER A 47 -4.104 1.936 -2.998 1.00 0.00 H new ATOM 0 HA SER A 47 -4.975 2.077 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.967 1.064 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.755 0.563 -3.670 1.00 0.00 H new ATOM 0 HG SER A 47 -6.515 2.400 -2.328 1.00 0.00 H new ATOM 724 N LYS A 48 -6.075 4.591 -3.780 1.00 0.00 N ATOM 725 CA LYS A 48 -6.716 5.893 -3.847 1.00 0.00 C ATOM 726 C LYS A 48 -5.917 6.802 -4.784 1.00 0.00 C ATOM 727 O LYS A 48 -6.374 7.125 -5.880 1.00 0.00 O ATOM 728 CB LYS A 48 -6.904 6.470 -2.443 1.00 0.00 C ATOM 729 CG LYS A 48 -8.264 6.076 -1.865 1.00 0.00 C ATOM 730 CD LYS A 48 -8.432 4.555 -1.848 1.00 0.00 C ATOM 731 CE LYS A 48 -9.886 4.167 -1.568 1.00 0.00 C ATOM 732 NZ LYS A 48 -10.249 2.944 -2.317 1.00 0.00 N ATOM 0 H LYS A 48 -5.666 4.363 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.718 5.804 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.109 6.111 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.821 7.556 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.360 6.468 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.060 6.527 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.119 4.140 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.783 4.122 -1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.025 4.001 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.548 4.985 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.238 2.695 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.135 3.115 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.629 2.162 -2.026 1.00 0.00 H new ATOM 746 N TYR A 49 -4.739 7.189 -4.318 1.00 0.00 N ATOM 747 CA TYR A 49 -3.873 8.054 -5.101 1.00 0.00 C ATOM 748 C TYR A 49 -3.652 7.485 -6.504 1.00 0.00 C ATOM 749 O TYR A 49 -4.071 8.083 -7.494 1.00 0.00 O ATOM 750 CB TYR A 49 -2.534 8.091 -4.362 1.00 0.00 C ATOM 751 CG TYR A 49 -1.500 9.026 -4.992 1.00 0.00 C ATOM 752 CD1 TYR A 49 -1.475 10.361 -4.643 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.593 8.535 -5.909 1.00 0.00 C ATOM 754 CE1 TYR A 49 -0.502 11.242 -5.236 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.380 9.416 -6.502 1.00 0.00 C ATOM 756 CZ TYR A 49 0.377 10.726 -6.136 1.00 0.00 C ATOM 757 OH TYR A 49 1.296 11.558 -6.696 1.00 0.00 O ATOM 0 H TYR A 49 -4.364 6.920 -3.409 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.317 9.043 -5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.708 8.401 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.122 7.082 -4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.185 10.745 -3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.613 7.490 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.471 12.289 -4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.096 9.045 -7.221 1.00 0.00 H new ATOM 0 HH TYR A 49 1.516 12.275 -6.065 1.00 0.00 H new ATOM 767 N LEU A 50 -2.994 6.336 -6.545 1.00 0.00 N ATOM 768 CA LEU A 50 -2.712 5.679 -7.810 1.00 0.00 C ATOM 769 C LEU A 50 -4.005 5.566 -8.620 1.00 0.00 C ATOM 770 O LEU A 50 -3.966 5.446 -9.843 1.00 0.00 O ATOM 771 CB LEU A 50 -2.015 4.337 -7.574 1.00 0.00 C ATOM 772 CG LEU A 50 -0.486 4.372 -7.547 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.026 5.004 -6.251 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.098 2.975 -7.773 1.00 0.00 C ATOM 0 H LEU A 50 -2.648 5.843 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.016 6.274 -8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.366 3.929 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.329 3.644 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.144 5.002 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.116 5.016 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.348 6.025 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.325 4.422 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.186 3.027 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.250 2.304 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.226 2.598 -8.743 1.00 0.00 H new ATOM 786 N HIS A 51 -5.119 5.609 -7.905 1.00 0.00 N ATOM 787 CA HIS A 51 -6.421 5.513 -8.542 1.00 0.00 C ATOM 788 C HIS A 51 -6.546 4.164 -9.254 1.00 0.00 C ATOM 789 O HIS A 51 -6.901 4.110 -10.431 1.00 0.00 O ATOM 790 CB HIS A 51 -6.658 6.701 -9.476 1.00 0.00 C ATOM 791 CG HIS A 51 -6.890 8.010 -8.759 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.107 9.122 -8.659 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -8.041 8.276 -8.038 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -6.745 10.019 -7.918 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.944 9.496 -7.532 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.147 5.709 -6.890 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.204 5.559 -7.785 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.798 6.808 -10.136 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.520 6.487 -10.108 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.187 9.244 -9.082 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.876 7.603 -7.910 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.376 11.001 -7.663 1.00 0.00 H new ATOM 803 N CYS A 52 -6.247 3.109 -8.511 1.00 0.00 N ATOM 804 CA CYS A 52 -6.321 1.764 -9.057 1.00 0.00 C ATOM 805 C CYS A 52 -6.973 0.857 -8.012 1.00 0.00 C ATOM 806 O CYS A 52 -7.518 1.339 -7.020 1.00 0.00 O ATOM 807 CB CYS A 52 -4.945 1.249 -9.481 1.00 0.00 C ATOM 808 SG CYS A 52 -5.021 0.590 -11.187 1.00 0.00 S ATOM 0 H CYS A 52 -5.953 3.158 -7.536 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.928 1.769 -9.962 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.213 2.055 -9.426 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.612 0.469 -8.796 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.203 1.256 -11.946 1.00 0.00 H new ATOM 814 N ASN A 53 -6.896 -0.440 -8.271 1.00 0.00 N ATOM 815 CA ASN A 53 -7.472 -1.419 -7.364 1.00 0.00 C ATOM 816 C ASN A 53 -6.359 -2.046 -6.523 1.00 0.00 C ATOM 817 O ASN A 53 -5.343 -2.485 -7.060 1.00 0.00 O ATOM 818 CB ASN A 53 -8.170 -2.541 -8.137 1.00 0.00 C ATOM 819 CG ASN A 53 -9.691 -2.413 -8.035 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.339 -1.757 -8.833 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.222 -3.075 -7.011 1.00 0.00 N ATOM 0 H ASN A 53 -6.444 -0.836 -9.095 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.199 -0.908 -6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.868 -2.509 -9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.856 -3.508 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.230 -3.052 -6.857 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.621 -3.605 -6.380 1.00 0.00 H new ATOM 828 N ALA A 54 -6.587 -2.067 -5.218 1.00 0.00 N ATOM 829 CA ALA A 54 -5.616 -2.633 -4.297 1.00 0.00 C ATOM 830 C ALA A 54 -5.496 -4.137 -4.550 1.00 0.00 C ATOM 831 O ALA A 54 -4.530 -4.767 -4.122 1.00 0.00 O ATOM 832 CB ALA A 54 -6.030 -2.315 -2.859 1.00 0.00 C ATOM 0 H ALA A 54 -7.430 -1.701 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.632 -2.192 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.302 -2.740 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.072 -1.234 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.012 -2.744 -2.660 1.00 0.00 H new ATOM 838 N ASP A 55 -6.491 -4.669 -5.245 1.00 0.00 N ATOM 839 CA ASP A 55 -6.508 -6.088 -5.560 1.00 0.00 C ATOM 840 C ASP A 55 -5.386 -6.400 -6.552 1.00 0.00 C ATOM 841 O ASP A 55 -4.882 -7.521 -6.592 1.00 0.00 O ATOM 842 CB ASP A 55 -7.836 -6.492 -6.205 1.00 0.00 C ATOM 843 CG ASP A 55 -8.209 -7.967 -6.046 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.279 -8.764 -5.793 1.00 0.00 O ATOM 845 OD2 ASP A 55 -9.415 -8.266 -6.181 1.00 0.00 O ATOM 0 H ASP A 55 -7.291 -4.144 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.375 -6.642 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.631 -5.883 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.793 -6.256 -7.268 1.00 0.00 H new ATOM 850 N ARG A 56 -5.029 -5.388 -7.330 1.00 0.00 N ATOM 851 CA ARG A 56 -3.976 -5.540 -8.319 1.00 0.00 C ATOM 852 C ARG A 56 -2.667 -4.945 -7.797 1.00 0.00 C ATOM 853 O ARG A 56 -1.641 -5.005 -8.473 1.00 0.00 O ATOM 854 CB ARG A 56 -4.352 -4.853 -9.634 1.00 0.00 C ATOM 855 CG ARG A 56 -5.670 -5.402 -10.182 1.00 0.00 C ATOM 856 CD ARG A 56 -5.426 -6.617 -11.081 1.00 0.00 C ATOM 857 NE ARG A 56 -6.316 -6.559 -12.262 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.627 -6.835 -12.229 1.00 0.00 C ATOM 859 NH1 ARG A 56 -8.209 -7.189 -11.075 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.356 -6.757 -13.351 1.00 0.00 N ATOM 0 H ARG A 56 -5.451 -4.460 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.846 -6.606 -8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.440 -3.778 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.559 -5.003 -10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.323 -5.682 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.185 -4.625 -10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.384 -6.640 -11.401 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.608 -7.535 -10.523 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.906 -6.292 -13.157 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.654 -7.248 -10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.207 -7.399 -11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.913 -6.488 -14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.354 -6.967 -13.326 1.00 0.00 H new ATOM 874 N LEU A 57 -2.745 -4.385 -6.599 1.00 0.00 N ATOM 875 CA LEU A 57 -1.579 -3.780 -5.979 1.00 0.00 C ATOM 876 C LEU A 57 -0.826 -4.842 -5.175 1.00 0.00 C ATOM 877 O LEU A 57 -1.441 -5.704 -4.550 1.00 0.00 O ATOM 878 CB LEU A 57 -1.985 -2.557 -5.153 1.00 0.00 C ATOM 879 CG LEU A 57 -2.514 -1.359 -5.945 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.162 -0.331 -5.016 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.410 -0.739 -6.804 1.00 0.00 C ATOM 0 H LEU A 57 -3.598 -4.338 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.893 -3.409 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.751 -2.863 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.121 -2.231 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.289 -1.714 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.530 0.510 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.994 -0.794 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.425 0.024 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.812 0.110 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.596 -0.402 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.034 -1.483 -7.506 1.00 0.00 H new ATOM 893 N VAL A 58 0.495 -4.743 -5.217 1.00 0.00 N ATOM 894 CA VAL A 58 1.338 -5.685 -4.500 1.00 0.00 C ATOM 895 C VAL A 58 2.371 -4.913 -3.676 1.00 0.00 C ATOM 896 O VAL A 58 3.042 -4.021 -4.193 1.00 0.00 O ATOM 897 CB VAL A 58 1.974 -6.671 -5.482 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.729 -7.775 -4.739 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.922 -7.263 -6.422 1.00 0.00 C ATOM 0 H VAL A 58 1.002 -4.026 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 58 0.743 -6.277 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 58 2.695 -6.122 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.171 -8.462 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.517 -7.331 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.037 -8.320 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.400 -7.960 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.167 -7.789 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.448 -6.462 -6.989 1.00 0.00 H new ATOM 909 N LEU A 59 2.466 -5.284 -2.408 1.00 0.00 N ATOM 910 CA LEU A 59 3.406 -4.638 -1.507 1.00 0.00 C ATOM 911 C LEU A 59 4.752 -5.361 -1.577 1.00 0.00 C ATOM 912 O LEU A 59 4.816 -6.578 -1.414 1.00 0.00 O ATOM 913 CB LEU A 59 2.824 -4.556 -0.095 1.00 0.00 C ATOM 914 CG LEU A 59 2.737 -3.155 0.515 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.116 -2.666 0.964 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.069 -2.177 -0.453 1.00 0.00 C ATOM 0 H LEU A 59 1.907 -6.024 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 59 3.582 -3.607 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.823 -4.987 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.429 -5.180 0.563 1.00 0.00 H new ATOM 0 HG LEU A 59 2.109 -3.207 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.026 -1.668 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.518 -3.349 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.787 -2.632 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.020 -1.189 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.650 -2.122 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.061 -2.522 -0.681 1.00 0.00 H new ATOM 928 N ILE A 60 5.795 -4.580 -1.820 1.00 0.00 N ATOM 929 CA ILE A 60 7.136 -5.131 -1.913 1.00 0.00 C ATOM 930 C ILE A 60 8.117 -4.196 -1.204 1.00 0.00 C ATOM 931 O ILE A 60 8.409 -3.107 -1.697 1.00 0.00 O ATOM 932 CB ILE A 60 7.500 -5.412 -3.373 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.564 -6.461 -3.979 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.971 -5.812 -3.504 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.544 -5.810 -4.915 1.00 0.00 C ATOM 0 H ILE A 60 5.738 -3.571 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 60 7.188 -6.094 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 60 7.365 -4.492 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.147 -7.200 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.044 -6.993 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.203 -6.006 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.602 -5.003 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.157 -6.712 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.891 -6.577 -5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.946 -5.089 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.067 -5.299 -5.724 1.00 0.00 H new ATOM 947 N PHE A 61 8.600 -4.654 -0.059 1.00 0.00 N ATOM 948 CA PHE A 61 9.543 -3.872 0.723 1.00 0.00 C ATOM 949 C PHE A 61 10.953 -4.456 0.625 1.00 0.00 C ATOM 950 O PHE A 61 11.146 -5.657 0.809 1.00 0.00 O ATOM 951 CB PHE A 61 9.077 -3.935 2.179 1.00 0.00 C ATOM 952 CG PHE A 61 10.137 -3.495 3.191 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.421 -2.174 3.347 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.795 -4.425 3.934 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.405 -1.766 4.286 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.778 -4.016 4.873 1.00 0.00 C ATOM 957 CZ PHE A 61 12.063 -2.695 5.029 1.00 0.00 C ATOM 0 H PHE A 61 8.356 -5.557 0.347 1.00 0.00 H new ATOM 0 HA PHE A 61 9.576 -2.848 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.195 -3.305 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.772 -4.956 2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.898 -1.436 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.570 -5.474 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.631 -0.717 4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.300 -4.754 5.464 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.812 -2.384 5.743 1.00 0.00 H new ATOM 967 N THR A 62 11.904 -3.579 0.337 1.00 0.00 N ATOM 968 CA THR A 62 13.291 -3.992 0.213 1.00 0.00 C ATOM 969 C THR A 62 13.412 -5.172 -0.754 1.00 0.00 C ATOM 970 O THR A 62 14.400 -5.904 -0.726 1.00 0.00 O ATOM 971 CB THR A 62 13.820 -4.299 1.615 1.00 0.00 C ATOM 972 OG1 THR A 62 15.225 -4.448 1.431 1.00 0.00 O ATOM 973 CG2 THR A 62 13.364 -5.668 2.126 1.00 0.00 C ATOM 0 H THR A 62 11.741 -2.584 0.186 1.00 0.00 H new ATOM 0 HA THR A 62 13.903 -3.198 -0.215 1.00 0.00 H new ATOM 0 HB THR A 62 13.488 -3.524 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.395 -4.954 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.767 -5.836 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.275 -5.698 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.725 -6.446 1.453 1.00 0.00 H new ATOM 981 N GLY A 63 12.392 -5.319 -1.587 1.00 0.00 N ATOM 982 CA GLY A 63 12.371 -6.397 -2.561 1.00 0.00 C ATOM 983 C GLY A 63 11.512 -7.564 -2.070 1.00 0.00 C ATOM 984 O GLY A 63 11.000 -8.343 -2.872 1.00 0.00 O ATOM 0 H GLY A 63 11.574 -4.710 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.981 -6.027 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.388 -6.743 -2.748 1.00 0.00 H new ATOM 988 N LYS A 64 11.381 -7.647 -0.754 1.00 0.00 N ATOM 989 CA LYS A 64 10.592 -8.705 -0.146 1.00 0.00 C ATOM 990 C LYS A 64 9.107 -8.352 -0.249 1.00 0.00 C ATOM 991 O LYS A 64 8.687 -7.284 0.195 1.00 0.00 O ATOM 992 CB LYS A 64 11.064 -8.969 1.286 1.00 0.00 C ATOM 993 CG LYS A 64 12.400 -9.714 1.294 1.00 0.00 C ATOM 994 CD LYS A 64 13.570 -8.743 1.125 1.00 0.00 C ATOM 995 CE LYS A 64 14.881 -9.499 0.899 1.00 0.00 C ATOM 996 NZ LYS A 64 15.974 -8.555 0.573 1.00 0.00 N ATOM 0 H LYS A 64 11.808 -6.999 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 64 10.734 -9.643 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.167 -8.024 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.314 -9.554 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.510 -10.262 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.415 -10.450 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.378 -8.080 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.657 -8.114 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.138 -10.068 1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.759 -10.217 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.631 -9.003 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.574 -7.695 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.486 -8.303 1.442 1.00 0.00 H new ATOM 1010 N ILE A 65 8.353 -9.269 -0.837 1.00 0.00 N ATOM 1011 CA ILE A 65 6.924 -9.068 -1.004 1.00 0.00 C ATOM 1012 C ILE A 65 6.220 -9.308 0.334 1.00 0.00 C ATOM 1013 O ILE A 65 6.654 -10.142 1.127 1.00 0.00 O ATOM 1014 CB ILE A 65 6.390 -9.937 -2.144 1.00 0.00 C ATOM 1015 CG1 ILE A 65 7.073 -9.586 -3.467 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.866 -9.839 -2.242 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.929 -10.750 -3.969 1.00 0.00 C ATOM 0 H ILE A 65 8.705 -10.153 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 65 6.716 -8.038 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 65 6.632 -10.977 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.320 -9.336 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.697 -8.702 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.513 -10.466 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.419 -10.177 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.579 -8.804 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.403 -10.473 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.697 -10.982 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.298 -11.625 -4.124 1.00 0.00 H new ATOM 1029 N LEU A 66 5.145 -8.562 0.542 1.00 0.00 N ATOM 1030 CA LEU A 66 4.377 -8.683 1.770 1.00 0.00 C ATOM 1031 C LEU A 66 3.002 -9.272 1.450 1.00 0.00 C ATOM 1032 O LEU A 66 2.768 -9.742 0.337 1.00 0.00 O ATOM 1033 CB LEU A 66 4.315 -7.338 2.498 1.00 0.00 C ATOM 1034 CG LEU A 66 5.614 -6.530 2.525 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.361 -5.101 3.011 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.683 -7.238 3.360 1.00 0.00 C ATOM 0 H LEU A 66 4.788 -7.872 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 66 4.867 -9.371 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.541 -6.729 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.001 -7.518 3.526 1.00 0.00 H new ATOM 0 HG LEU A 66 5.994 -6.461 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.300 -4.548 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.657 -4.608 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.945 -5.128 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.596 -6.643 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.325 -7.358 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.890 -8.218 2.930 1.00 0.00 H new ATOM 1048 N ARG A 67 2.129 -9.229 2.445 1.00 0.00 N ATOM 1049 CA ARG A 67 0.783 -9.753 2.284 1.00 0.00 C ATOM 1050 C ARG A 67 -0.209 -8.934 3.111 1.00 0.00 C ATOM 1051 O ARG A 67 0.087 -8.552 4.243 1.00 0.00 O ATOM 1052 CB ARG A 67 0.708 -11.219 2.715 1.00 0.00 C ATOM 1053 CG ARG A 67 1.267 -12.140 1.629 1.00 0.00 C ATOM 1054 CD ARG A 67 0.276 -12.288 0.472 1.00 0.00 C ATOM 1055 NE ARG A 67 0.700 -13.390 -0.420 1.00 0.00 N ATOM 1056 CZ ARG A 67 0.260 -13.551 -1.676 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.618 -12.682 -2.195 1.00 0.00 N ATOM 1058 NH2 ARG A 67 0.700 -14.580 -2.413 1.00 0.00 N ATOM 0 H ARG A 67 2.327 -8.839 3.366 1.00 0.00 H new ATOM 0 HA ARG A 67 0.524 -9.683 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.269 -11.359 3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.327 -11.487 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.209 -11.739 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.484 -13.120 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.722 -12.488 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.219 -11.356 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 67 1.369 -14.069 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.952 -11.898 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.953 -12.805 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.370 -15.241 -2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.365 -14.703 -3.369 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.366 -8.687 2.515 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.403 -7.919 3.183 1.00 0.00 C ATOM 1074 C ASP A 68 -2.497 -8.360 4.645 1.00 0.00 C ATOM 1075 O ASP A 68 -2.760 -7.545 5.527 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.767 -8.152 2.530 1.00 0.00 C ATOM 1077 CG ASP A 68 -4.223 -9.612 2.489 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -4.879 -10.030 3.468 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -3.906 -10.277 1.479 1.00 0.00 O ATOM 0 H ASP A 68 -1.608 -9.005 1.577 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.142 -6.863 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.515 -7.568 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.735 -7.768 1.510 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.276 -9.650 4.856 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.332 -10.209 6.196 1.00 0.00 C ATOM 1086 C GLN A 69 -0.969 -10.085 6.880 1.00 0.00 C ATOM 1087 O GLN A 69 -0.535 -11.001 7.576 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.798 -11.666 6.162 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.720 -12.574 5.568 1.00 0.00 C ATOM 1090 CD GLN A 69 -2.314 -13.909 5.117 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.969 -14.612 5.869 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -2.051 -14.218 3.850 1.00 0.00 N ATOM 0 H GLN A 69 -2.058 -10.323 4.122 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.060 -9.642 6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.041 -11.997 7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.711 -11.746 5.572 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.248 -12.077 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.940 -12.751 6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.496 -13.584 3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.404 -15.089 3.454 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.333 -8.944 6.658 1.00 0.00 N ATOM 1102 CA ASP A 70 0.972 -8.689 7.245 1.00 0.00 C ATOM 1103 C ASP A 70 1.117 -7.191 7.522 1.00 0.00 C ATOM 1104 O ASP A 70 0.755 -6.363 6.687 1.00 0.00 O ATOM 1105 CB ASP A 70 2.095 -9.104 6.293 1.00 0.00 C ATOM 1106 CG ASP A 70 2.177 -10.604 6.005 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.098 -11.208 5.824 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.319 -11.114 5.973 1.00 0.00 O ATOM 0 H ASP A 70 -0.697 -8.186 6.080 1.00 0.00 H new ATOM 0 HA ASP A 70 1.047 -9.268 8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.965 -8.575 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.046 -8.777 6.713 1.00 0.00 H new ATOM 1113 N ILE A 71 1.646 -6.888 8.699 1.00 0.00 N ATOM 1114 CA ILE A 71 1.843 -5.505 9.097 1.00 0.00 C ATOM 1115 C ILE A 71 3.140 -4.980 8.477 1.00 0.00 C ATOM 1116 O ILE A 71 4.013 -5.761 8.101 1.00 0.00 O ATOM 1117 CB ILE A 71 1.792 -5.373 10.620 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.355 -5.482 11.132 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.469 -4.081 11.082 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.376 -6.652 10.469 1.00 0.00 C ATOM 0 H ILE A 71 1.944 -7.577 9.389 1.00 0.00 H new ATOM 0 HA ILE A 71 1.033 -4.881 8.719 1.00 0.00 H new ATOM 0 HB ILE A 71 2.352 -6.202 11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.360 -5.617 12.214 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.179 -4.553 10.929 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.419 -4.012 12.169 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.512 -4.084 10.767 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.959 -3.225 10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.396 -6.707 10.851 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.400 -6.501 9.390 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.146 -7.582 10.694 1.00 0.00 H new ATOM 1132 N LEU A 72 3.226 -3.661 8.390 1.00 0.00 N ATOM 1133 CA LEU A 72 4.401 -3.023 7.822 1.00 0.00 C ATOM 1134 C LEU A 72 5.571 -3.157 8.799 1.00 0.00 C ATOM 1135 O LEU A 72 6.570 -3.806 8.492 1.00 0.00 O ATOM 1136 CB LEU A 72 4.090 -1.577 7.430 1.00 0.00 C ATOM 1137 CG LEU A 72 2.696 -1.324 6.853 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.537 0.136 6.424 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.392 -2.294 5.709 1.00 0.00 C ATOM 0 H LEU A 72 2.501 -3.016 8.704 1.00 0.00 H new ATOM 0 HA LEU A 72 4.696 -3.522 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.217 -0.947 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.829 -1.253 6.697 1.00 0.00 H new ATOM 0 HG LEU A 72 1.962 -1.511 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.537 0.289 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.681 0.786 7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.279 0.374 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.395 -2.093 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.128 -2.163 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.436 -3.318 6.079 1.00 0.00 H new ATOM 1151 N SER A 73 5.408 -2.533 9.957 1.00 0.00 N ATOM 1152 CA SER A 73 6.438 -2.574 10.981 1.00 0.00 C ATOM 1153 C SER A 73 6.910 -4.015 11.190 1.00 0.00 C ATOM 1154 O SER A 73 8.094 -4.311 11.041 1.00 0.00 O ATOM 1155 CB SER A 73 5.929 -1.986 12.298 1.00 0.00 C ATOM 1156 OG SER A 73 5.026 -2.866 12.963 1.00 0.00 O ATOM 0 H SER A 73 4.578 -1.996 10.208 1.00 0.00 H new ATOM 0 HA SER A 73 7.279 -1.968 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.775 -1.774 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.431 -1.036 12.102 1.00 0.00 H new ATOM 0 HG SER A 73 4.725 -2.455 13.800 1.00 0.00 H new ATOM 1162 N GLN A 74 5.959 -4.871 11.533 1.00 0.00 N ATOM 1163 CA GLN A 74 6.262 -6.273 11.764 1.00 0.00 C ATOM 1164 C GLN A 74 7.176 -6.808 10.659 1.00 0.00 C ATOM 1165 O GLN A 74 8.144 -7.513 10.937 1.00 0.00 O ATOM 1166 CB GLN A 74 4.981 -7.102 11.866 1.00 0.00 C ATOM 1167 CG GLN A 74 4.364 -6.990 13.261 1.00 0.00 C ATOM 1168 CD GLN A 74 3.711 -8.309 13.680 1.00 0.00 C ATOM 1169 OE1 GLN A 74 4.297 -9.376 13.594 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.469 -8.177 14.136 1.00 0.00 N ATOM 0 H GLN A 74 4.978 -4.621 11.657 1.00 0.00 H new ATOM 0 HA GLN A 74 6.787 -6.359 12.716 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.264 -6.762 11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.201 -8.146 11.645 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.134 -6.716 13.982 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.621 -6.193 13.271 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.038 -7.254 14.182 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.947 -8.999 14.440 1.00 0.00 H new ATOM 1179 N ARG A 75 6.834 -6.452 9.430 1.00 0.00 N ATOM 1180 CA ARG A 75 7.611 -6.887 8.282 1.00 0.00 C ATOM 1181 C ARG A 75 8.979 -6.202 8.276 1.00 0.00 C ATOM 1182 O ARG A 75 9.959 -6.767 7.793 1.00 0.00 O ATOM 1183 CB ARG A 75 6.884 -6.571 6.973 1.00 0.00 C ATOM 1184 CG ARG A 75 5.753 -7.569 6.720 1.00 0.00 C ATOM 1185 CD ARG A 75 6.305 -8.919 6.256 1.00 0.00 C ATOM 1186 NE ARG A 75 5.347 -9.567 5.333 1.00 0.00 N ATOM 1187 CZ ARG A 75 5.588 -10.716 4.686 1.00 0.00 C ATOM 1188 NH1 ARG A 75 6.756 -11.349 4.858 1.00 0.00 N ATOM 1189 NH2 ARG A 75 4.661 -11.230 3.867 1.00 0.00 N ATOM 0 H ARG A 75 6.029 -5.867 9.204 1.00 0.00 H new ATOM 0 HA ARG A 75 7.742 -7.966 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.479 -5.560 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.591 -6.599 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.172 -7.704 7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.074 -7.171 5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.264 -8.777 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.485 -9.563 7.117 1.00 0.00 H new ATOM 0 HE ARG A 75 4.448 -9.111 5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.462 -10.957 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.940 -12.223 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.772 -10.747 3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.844 -12.104 3.374 1.00 0.00 H new ATOM 1203 N GLY A 76 9.002 -4.993 8.818 1.00 0.00 N ATOM 1204 CA GLY A 76 10.234 -4.225 8.881 1.00 0.00 C ATOM 1205 C GLY A 76 9.992 -2.768 8.480 1.00 0.00 C ATOM 1206 O GLY A 76 10.652 -1.863 8.988 1.00 0.00 O ATOM 0 H GLY A 76 8.188 -4.527 9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.641 -4.265 9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.978 -4.669 8.220 1.00 0.00 H new ATOM 1210 N ILE A 77 9.045 -2.587 7.571 1.00 0.00 N ATOM 1211 CA ILE A 77 8.708 -1.256 7.096 1.00 0.00 C ATOM 1212 C ILE A 77 8.653 -0.294 8.284 1.00 0.00 C ATOM 1213 O ILE A 77 7.753 -0.383 9.118 1.00 0.00 O ATOM 1214 CB ILE A 77 7.419 -1.291 6.273 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.658 -1.937 4.907 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.810 0.106 6.147 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.342 -2.407 4.284 1.00 0.00 C ATOM 0 H ILE A 77 8.500 -3.340 7.151 1.00 0.00 H new ATOM 0 HA ILE A 77 9.480 -0.886 6.421 1.00 0.00 H new ATOM 0 HB ILE A 77 6.694 -1.911 6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.144 -1.222 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.336 -2.784 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.895 0.052 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.580 0.493 7.139 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.521 0.770 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.541 -2.862 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.871 -3.140 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.676 -1.554 4.155 1.00 0.00 H new ATOM 1229 N LEU A 78 9.626 0.604 8.323 1.00 0.00 N ATOM 1230 CA LEU A 78 9.700 1.582 9.395 1.00 0.00 C ATOM 1231 C LEU A 78 9.495 2.983 8.817 1.00 0.00 C ATOM 1232 O LEU A 78 9.085 3.130 7.666 1.00 0.00 O ATOM 1233 CB LEU A 78 11.006 1.424 10.176 1.00 0.00 C ATOM 1234 CG LEU A 78 10.864 1.220 11.686 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.996 -0.001 11.995 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.236 1.133 12.358 1.00 0.00 C ATOM 0 H LEU A 78 10.370 0.675 7.629 1.00 0.00 H new ATOM 0 HA LEU A 78 8.901 1.415 10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.552 0.575 9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.618 2.310 10.005 1.00 0.00 H new ATOM 0 HG LEU A 78 10.356 2.090 12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.911 -0.123 13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.004 0.140 11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.454 -0.891 11.564 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.107 0.988 13.431 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.792 0.293 11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.787 2.056 12.180 1.00 0.00 H new ATOM 1248 N ASP A 79 9.789 3.978 9.640 1.00 0.00 N ATOM 1249 CA ASP A 79 9.643 5.363 9.225 1.00 0.00 C ATOM 1250 C ASP A 79 10.763 5.718 8.246 1.00 0.00 C ATOM 1251 O ASP A 79 11.936 5.472 8.523 1.00 0.00 O ATOM 1252 CB ASP A 79 9.742 6.311 10.422 1.00 0.00 C ATOM 1253 CG ASP A 79 10.800 5.932 11.460 1.00 0.00 C ATOM 1254 OD1 ASP A 79 11.865 5.438 11.032 1.00 0.00 O ATOM 1255 OD2 ASP A 79 10.519 6.144 12.660 1.00 0.00 O ATOM 0 H ASP A 79 10.128 3.853 10.594 1.00 0.00 H new ATOM 0 HA ASP A 79 8.664 5.474 8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.958 7.314 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.770 6.354 10.914 1.00 0.00 H new ATOM 1260 N GLY A 80 10.363 6.291 7.120 1.00 0.00 N ATOM 1261 CA GLY A 80 11.319 6.683 6.098 1.00 0.00 C ATOM 1262 C GLY A 80 11.871 5.458 5.366 1.00 0.00 C ATOM 1263 O GLY A 80 13.081 5.336 5.178 1.00 0.00 O ATOM 0 H GLY A 80 9.389 6.493 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.840 7.353 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.138 7.238 6.555 1.00 0.00 H new ATOM 1267 N SER A 81 10.958 4.582 4.972 1.00 0.00 N ATOM 1268 CA SER A 81 11.339 3.371 4.265 1.00 0.00 C ATOM 1269 C SER A 81 10.891 3.456 2.805 1.00 0.00 C ATOM 1270 O SER A 81 10.025 4.260 2.463 1.00 0.00 O ATOM 1271 CB SER A 81 10.741 2.132 4.933 1.00 0.00 C ATOM 1272 OG SER A 81 10.947 2.133 6.343 1.00 0.00 O ATOM 0 H SER A 81 9.956 4.687 5.129 1.00 0.00 H new ATOM 0 HA SER A 81 12.425 3.281 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.672 2.087 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.188 1.236 4.502 1.00 0.00 H new ATOM 0 HG SER A 81 10.409 2.843 6.752 1.00 0.00 H new ATOM 1278 N THR A 82 11.501 2.614 1.982 1.00 0.00 N ATOM 1279 CA THR A 82 11.175 2.584 0.567 1.00 0.00 C ATOM 1280 C THR A 82 10.440 1.288 0.216 1.00 0.00 C ATOM 1281 O THR A 82 10.949 0.196 0.461 1.00 0.00 O ATOM 1282 CB THR A 82 12.472 2.778 -0.221 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.849 4.124 0.058 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.247 2.760 -1.734 1.00 0.00 C ATOM 0 H THR A 82 12.219 1.948 2.269 1.00 0.00 H new ATOM 0 HA THR A 82 10.492 3.391 0.302 1.00 0.00 H new ATOM 0 HB THR A 82 13.181 1.996 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.683 4.334 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.199 2.902 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.817 1.802 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.564 3.563 -2.010 1.00 0.00 H new ATOM 1292 N VAL A 83 9.254 1.453 -0.351 1.00 0.00 N ATOM 1293 CA VAL A 83 8.444 0.311 -0.737 1.00 0.00 C ATOM 1294 C VAL A 83 8.070 0.433 -2.216 1.00 0.00 C ATOM 1295 O VAL A 83 7.632 1.491 -2.664 1.00 0.00 O ATOM 1296 CB VAL A 83 7.225 0.199 0.180 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.429 -1.073 -0.118 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.639 0.255 1.652 1.00 0.00 C ATOM 0 H VAL A 83 8.835 2.361 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 83 9.008 -0.614 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 83 6.577 1.053 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.568 -1.128 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.087 -1.054 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.064 -1.945 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.754 0.173 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.317 -0.570 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.141 1.201 1.853 1.00 0.00 H new ATOM 1308 N HIS A 84 8.257 -0.665 -2.933 1.00 0.00 N ATOM 1309 CA HIS A 84 7.945 -0.695 -4.352 1.00 0.00 C ATOM 1310 C HIS A 84 6.453 -0.973 -4.544 1.00 0.00 C ATOM 1311 O HIS A 84 5.898 -1.870 -3.909 1.00 0.00 O ATOM 1312 CB HIS A 84 8.835 -1.702 -5.084 1.00 0.00 C ATOM 1313 CG HIS A 84 10.269 -1.255 -5.238 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.711 -0.514 -6.320 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.355 -1.452 -4.437 1.00 0.00 C ATOM 1316 CE1 HIS A 84 12.006 -0.281 -6.167 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.404 -0.864 -5.000 1.00 0.00 N ATOM 0 H HIS A 84 8.621 -1.541 -2.558 1.00 0.00 H new ATOM 0 HA HIS A 84 8.158 0.278 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.816 -2.648 -4.544 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.416 -1.891 -6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.361 -1.994 -3.503 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.636 0.273 -6.847 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.351 -0.851 -4.622 1.00 0.00 H new ATOM 1325 N VAL A 85 5.845 -0.189 -5.422 1.00 0.00 N ATOM 1326 CA VAL A 85 4.428 -0.340 -5.705 1.00 0.00 C ATOM 1327 C VAL A 85 4.254 -1.066 -7.040 1.00 0.00 C ATOM 1328 O VAL A 85 5.087 -0.935 -7.935 1.00 0.00 O ATOM 1329 CB VAL A 85 3.739 1.026 -5.672 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.159 1.880 -6.870 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.218 0.872 -5.615 1.00 0.00 C ATOM 0 H VAL A 85 6.308 0.553 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 85 3.948 -0.949 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 85 4.057 1.540 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.655 2.846 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.238 2.032 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.883 1.372 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.753 1.858 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.874 0.329 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.942 0.320 -4.717 1.00 0.00 H new ATOM 1341 N VAL A 86 3.165 -1.815 -7.132 1.00 0.00 N ATOM 1342 CA VAL A 86 2.871 -2.562 -8.344 1.00 0.00 C ATOM 1343 C VAL A 86 1.382 -2.427 -8.672 1.00 0.00 C ATOM 1344 O VAL A 86 0.567 -2.180 -7.785 1.00 0.00 O ATOM 1345 CB VAL A 86 3.318 -4.016 -8.184 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.584 -4.927 -9.170 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.834 -4.144 -8.343 1.00 0.00 C ATOM 0 H VAL A 86 2.476 -1.921 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 86 3.429 -2.156 -9.188 1.00 0.00 H new ATOM 0 HB VAL A 86 3.059 -4.337 -7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.920 -5.955 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.511 -4.870 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.797 -4.606 -10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.125 -5.188 -8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.127 -3.796 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.332 -3.540 -7.584 1.00 0.00 H new ATOM 1357 N VAL A 87 1.073 -2.595 -9.949 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.303 -2.495 -10.406 1.00 0.00 C ATOM 1359 C VAL A 87 -0.585 -3.614 -11.410 1.00 0.00 C ATOM 1360 O VAL A 87 -0.864 -3.349 -12.578 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.565 -1.100 -10.976 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.065 -0.844 -11.131 1.00 0.00 C ATOM 1363 CG2 VAL A 87 0.089 -0.022 -10.109 1.00 0.00 C ATOM 0 H VAL A 87 1.752 -2.800 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.993 -2.625 -9.572 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.113 -1.052 -11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.224 0.155 -11.538 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.492 -1.584 -11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.550 -0.920 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.112 0.960 -10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.320 -0.069 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.166 -0.188 -10.073 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.501 -4.842 -10.919 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.744 -6.002 -11.759 1.00 0.00 C ATOM 1375 C ARG A 88 -1.911 -5.733 -12.712 1.00 0.00 C ATOM 1376 O ARG A 88 -2.755 -4.881 -12.440 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.060 -7.238 -10.914 1.00 0.00 C ATOM 1378 CG ARG A 88 0.213 -8.027 -10.599 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.050 -9.086 -9.527 1.00 0.00 C ATOM 1380 NE ARG A 88 -0.312 -10.396 -10.163 1.00 0.00 N ATOM 1381 CZ ARG A 88 -0.619 -11.511 -9.487 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -0.703 -11.482 -8.150 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -0.841 -12.656 -10.147 1.00 0.00 N ATOM 0 H ARG A 88 -0.268 -5.059 -9.950 1.00 0.00 H new ATOM 0 HA ARG A 88 0.163 -6.190 -12.333 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.543 -6.934 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.765 -7.876 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.582 -8.506 -11.506 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.993 -7.346 -10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.809 -9.162 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.903 -8.792 -8.916 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.255 -10.454 -11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.533 -10.611 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.937 -12.331 -7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.776 -12.679 -11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.075 -13.505 -9.632 1.00 0.00 H new ATOM 1397 N SER A 89 -1.920 -6.475 -13.810 1.00 0.00 N ATOM 1398 CA SER A 89 -2.969 -6.327 -14.804 1.00 0.00 C ATOM 1399 C SER A 89 -2.816 -7.395 -15.889 1.00 0.00 C ATOM 1400 O SER A 89 -1.718 -7.902 -16.116 1.00 0.00 O ATOM 1401 CB SER A 89 -2.943 -4.930 -15.428 1.00 0.00 C ATOM 1402 OG SER A 89 -3.853 -4.815 -16.519 1.00 0.00 O ATOM 0 H SER A 89 -1.218 -7.180 -14.033 1.00 0.00 H new ATOM 0 HA SER A 89 -3.931 -6.457 -14.308 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.192 -4.189 -14.668 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.934 -4.706 -15.773 1.00 0.00 H new ATOM 0 HG SER A 89 -3.808 -3.909 -16.889 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.933 -7.706 -16.530 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.937 -8.705 -17.585 1.00 0.00 C ATOM 1410 C HIS A 90 -4.314 -8.046 -18.914 1.00 0.00 C ATOM 1411 O HIS A 90 -5.490 -7.803 -19.178 1.00 0.00 O ATOM 1412 CB HIS A 90 -4.854 -9.875 -17.222 1.00 0.00 C ATOM 1413 CG HIS A 90 -4.324 -11.224 -17.646 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -3.474 -11.978 -16.855 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -4.534 -11.947 -18.783 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -3.190 -13.101 -17.498 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -3.848 -13.080 -18.693 1.00 0.00 N ATOM 0 H HIS A 90 -4.842 -7.284 -16.339 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.937 -9.124 -17.698 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.010 -9.880 -16.143 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.828 -9.717 -17.684 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.154 -11.648 -19.616 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.550 -13.894 -17.139 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -3.818 -13.814 -19.401 1.00 0.00 H new ATOM 1425 N SER A 91 -3.293 -7.777 -19.714 1.00 0.00 N ATOM 1426 CA SER A 91 -3.503 -7.151 -21.009 1.00 0.00 C ATOM 1427 C SER A 91 -3.948 -5.699 -20.822 1.00 0.00 C ATOM 1428 O SER A 91 -3.250 -4.774 -21.236 1.00 0.00 O ATOM 1429 CB SER A 91 -4.537 -7.922 -21.832 1.00 0.00 C ATOM 1430 OG SER A 91 -3.995 -8.394 -23.062 1.00 0.00 O ATOM 0 H SER A 91 -2.319 -7.981 -19.491 1.00 0.00 H new ATOM 0 HA SER A 91 -2.559 -7.167 -21.554 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.906 -8.767 -21.251 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.392 -7.277 -22.036 1.00 0.00 H new ATOM 0 HG SER A 91 -4.685 -8.882 -23.558 1.00 0.00 H new ATOM 1436 N GLY A 92 -5.107 -5.544 -20.200 1.00 0.00 N ATOM 1437 CA GLY A 92 -5.654 -4.221 -19.954 1.00 0.00 C ATOM 1438 C GLY A 92 -6.716 -4.262 -18.853 1.00 0.00 C ATOM 1439 O GLY A 92 -7.339 -5.298 -18.625 1.00 0.00 O ATOM 0 H GLY A 92 -5.683 -6.314 -19.859 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.853 -3.540 -19.666 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.092 -3.828 -20.872 1.00 0.00 H new ATOM 1443 N PRO A 93 -6.894 -3.092 -18.182 1.00 0.00 N ATOM 1444 CA PRO A 93 -7.870 -2.985 -17.111 1.00 0.00 C ATOM 1445 C PRO A 93 -9.293 -2.922 -17.670 1.00 0.00 C ATOM 1446 O PRO A 93 -9.627 -2.009 -18.423 1.00 0.00 O ATOM 1447 CB PRO A 93 -7.476 -1.733 -16.344 1.00 0.00 C ATOM 1448 CG PRO A 93 -6.586 -0.933 -17.281 1.00 0.00 C ATOM 1449 CD PRO A 93 -6.174 -1.846 -18.425 1.00 0.00 C ATOM 0 HA PRO A 93 -7.871 -3.855 -16.454 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.356 -1.158 -16.056 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.947 -1.988 -15.426 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.118 -0.061 -17.661 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.708 -0.564 -16.751 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.441 -1.416 -19.390 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.096 -2.007 -18.435 1.00 0.00 H new ATOM 1457 N SER A 94 -10.092 -3.903 -17.279 1.00 0.00 N ATOM 1458 CA SER A 94 -11.471 -3.970 -17.731 1.00 0.00 C ATOM 1459 C SER A 94 -12.401 -3.391 -16.663 1.00 0.00 C ATOM 1460 O SER A 94 -12.352 -3.801 -15.504 1.00 0.00 O ATOM 1461 CB SER A 94 -11.873 -5.409 -18.061 1.00 0.00 C ATOM 1462 OG SER A 94 -12.968 -5.462 -18.972 1.00 0.00 O ATOM 0 H SER A 94 -9.811 -4.658 -16.654 1.00 0.00 H new ATOM 0 HA SER A 94 -11.561 -3.378 -18.642 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.020 -5.935 -18.489 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.140 -5.931 -17.142 1.00 0.00 H new ATOM 0 HG SER A 94 -13.193 -6.397 -19.159 1.00 0.00 H new ATOM 1468 N SER A 95 -13.227 -2.448 -17.091 1.00 0.00 N ATOM 1469 CA SER A 95 -14.166 -1.808 -16.186 1.00 0.00 C ATOM 1470 C SER A 95 -15.261 -2.798 -15.782 1.00 0.00 C ATOM 1471 O SER A 95 -15.430 -3.836 -16.421 1.00 0.00 O ATOM 1472 CB SER A 95 -14.786 -0.563 -16.824 1.00 0.00 C ATOM 1473 OG SER A 95 -13.863 0.522 -16.883 1.00 0.00 O ATOM 0 H SER A 95 -13.265 -2.112 -18.053 1.00 0.00 H new ATOM 0 HA SER A 95 -13.622 -1.494 -15.295 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.128 -0.803 -17.831 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.664 -0.262 -16.253 1.00 0.00 H new ATOM 0 HG SER A 95 -14.296 1.297 -17.298 1.00 0.00 H new ATOM 1479 N GLY A 96 -15.975 -2.443 -14.725 1.00 0.00 N ATOM 1480 CA GLY A 96 -17.049 -3.287 -14.229 1.00 0.00 C ATOM 1481 C GLY A 96 -16.541 -4.699 -13.927 1.00 0.00 C ATOM 1482 O GLY A 96 -17.307 -5.660 -13.969 1.00 0.00 O ATOM 0 H GLY A 96 -15.831 -1.582 -14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.474 -2.848 -13.326 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.850 -3.335 -14.967 1.00 0.00 H new TER 1486 GLY A 96