USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 124:sc= -0.653! USER MOD Set 2.2: A 30 CYS SG : rot -56:sc= 0.981 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -91:sc= -0.336 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 52:sc= 0.0107 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 0.384 (180deg=0.15) USER MOD Single : A 38 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.22) USER MOD Single : A 40 TYR OH : rot 0:sc= -2.18 USER MOD Single : A 41 LYS NZ :NH3+ -150:sc=-0.00277 (180deg=-0.167) USER MOD Single : A 47 GLN : amide:sc=-0.00208 K(o=-0.0021,f=-2.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.367 K(o=-0.37,f=-2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= -0.981 (180deg=-4.38!) USER MOD Single : A 71 HIS : no HE2:sc= -10.4! C(o=-10!,f=-10!) USER MOD Single : A 73 ASN : amide:sc= -5.42! C(o=-5.4!,f=-3.7!) USER MOD Single : A 75 GLN : amide:sc= -0.123 K(o=-0.12,f=-1) USER MOD Single : A 78 MET CE :methyl 170:sc= -0.795 (180deg=-1.06) USER MOD Single : A 79 MET CE :methyl 166:sc= 0 (180deg=-0.332) USER MOD Single : A 80 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 83 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.8!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.66) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.723 6.946 36.383 1.00 0.00 N ATOM 2 CA GLY A 1 32.815 6.209 35.770 1.00 0.00 C ATOM 3 C GLY A 1 34.038 7.107 35.568 1.00 0.00 C ATOM 4 O GLY A 1 34.942 7.127 36.402 1.00 0.00 O ATOM 0 H1 GLY A 1 30.906 6.315 36.509 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.026 7.309 37.309 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.454 7.742 35.770 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.083 5.360 36.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.493 5.806 34.810 1.00 0.00 H new ATOM 8 N SER A 2 34.026 7.828 34.456 1.00 0.00 N ATOM 9 CA SER A 2 35.122 8.725 34.135 1.00 0.00 C ATOM 10 C SER A 2 35.066 9.110 32.655 1.00 0.00 C ATOM 11 O SER A 2 34.575 10.182 32.306 1.00 0.00 O ATOM 12 CB SER A 2 36.472 8.087 34.467 1.00 0.00 C ATOM 13 OG SER A 2 36.427 6.666 34.377 1.00 0.00 O ATOM 0 H SER A 2 33.274 7.809 33.767 1.00 0.00 H new ATOM 0 HA SER A 2 35.017 9.624 34.742 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.231 8.470 33.785 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.772 8.377 35.474 1.00 0.00 H new ATOM 0 HG SER A 2 36.194 6.290 35.251 1.00 0.00 H new ATOM 19 N SER A 3 35.578 8.213 31.824 1.00 0.00 N ATOM 20 CA SER A 3 35.592 8.445 30.389 1.00 0.00 C ATOM 21 C SER A 3 34.198 8.206 29.806 1.00 0.00 C ATOM 22 O SER A 3 33.610 9.104 29.206 1.00 0.00 O ATOM 23 CB SER A 3 36.618 7.546 29.697 1.00 0.00 C ATOM 24 OG SER A 3 36.412 6.169 29.999 1.00 0.00 O ATOM 0 H SER A 3 35.986 7.325 32.117 1.00 0.00 H new ATOM 0 HA SER A 3 35.879 9.482 30.213 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.560 7.693 28.619 1.00 0.00 H new ATOM 0 HB3 SER A 3 37.622 7.838 30.005 1.00 0.00 H new ATOM 0 HG SER A 3 37.086 5.628 29.537 1.00 0.00 H new ATOM 30 N GLY A 4 33.709 6.991 30.004 1.00 0.00 N ATOM 31 CA GLY A 4 32.395 6.622 29.505 1.00 0.00 C ATOM 32 C GLY A 4 32.150 7.215 28.116 1.00 0.00 C ATOM 33 O GLY A 4 32.865 6.898 27.167 1.00 0.00 O ATOM 0 H GLY A 4 34.199 6.249 30.503 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.310 5.536 29.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.628 6.974 30.195 1.00 0.00 H new ATOM 37 N SER A 5 31.137 8.066 28.041 1.00 0.00 N ATOM 38 CA SER A 5 30.789 8.706 26.784 1.00 0.00 C ATOM 39 C SER A 5 30.491 7.645 25.722 1.00 0.00 C ATOM 40 O SER A 5 31.408 7.106 25.104 1.00 0.00 O ATOM 41 CB SER A 5 31.909 9.633 26.309 1.00 0.00 C ATOM 42 OG SER A 5 31.609 10.231 25.051 1.00 0.00 O ATOM 0 H SER A 5 30.546 8.327 28.830 1.00 0.00 H new ATOM 0 HA SER A 5 29.897 9.312 26.944 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.073 10.414 27.052 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.838 9.068 26.230 1.00 0.00 H new ATOM 0 HG SER A 5 32.347 10.817 24.783 1.00 0.00 H new ATOM 48 N SER A 6 29.206 7.378 25.542 1.00 0.00 N ATOM 49 CA SER A 6 28.776 6.392 24.565 1.00 0.00 C ATOM 50 C SER A 6 27.273 6.527 24.312 1.00 0.00 C ATOM 51 O SER A 6 26.564 7.167 25.087 1.00 0.00 O ATOM 52 CB SER A 6 29.110 4.974 25.031 1.00 0.00 C ATOM 53 OG SER A 6 30.147 4.386 24.250 1.00 0.00 O ATOM 0 H SER A 6 28.448 7.827 26.056 1.00 0.00 H new ATOM 0 HA SER A 6 29.313 6.576 23.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.414 4.998 26.078 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.216 4.353 24.973 1.00 0.00 H new ATOM 0 HG SER A 6 30.916 4.993 24.217 1.00 0.00 H new ATOM 59 N GLY A 7 26.832 5.914 23.223 1.00 0.00 N ATOM 60 CA GLY A 7 25.426 5.958 22.858 1.00 0.00 C ATOM 61 C GLY A 7 25.230 6.669 21.518 1.00 0.00 C ATOM 62 O GLY A 7 25.881 7.675 21.243 1.00 0.00 O ATOM 0 H GLY A 7 27.423 5.385 22.582 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.030 4.944 22.797 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.861 6.475 23.634 1.00 0.00 H new ATOM 66 N ASN A 8 24.328 6.117 20.718 1.00 0.00 N ATOM 67 CA ASN A 8 24.038 6.686 19.413 1.00 0.00 C ATOM 68 C ASN A 8 22.880 7.677 19.540 1.00 0.00 C ATOM 69 O ASN A 8 21.901 7.409 20.235 1.00 0.00 O ATOM 70 CB ASN A 8 23.624 5.599 18.419 1.00 0.00 C ATOM 71 CG ASN A 8 24.398 5.733 17.106 1.00 0.00 C ATOM 72 OD1 ASN A 8 25.552 5.352 16.994 1.00 0.00 O ATOM 73 ND2 ASN A 8 23.702 6.295 16.122 1.00 0.00 N ATOM 0 H ASN A 8 23.789 5.282 20.949 1.00 0.00 H new ATOM 0 HA ASN A 8 24.940 7.181 19.052 1.00 0.00 H new ATOM 0 HB2 ASN A 8 23.805 4.616 18.853 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.554 5.669 18.223 1.00 0.00 H new ATOM 0 HD21 ASN A 8 24.131 6.430 15.206 1.00 0.00 H new ATOM 0 HD22 ASN A 8 22.739 6.591 16.283 1.00 0.00 H new ATOM 80 N LEU A 9 23.029 8.803 18.857 1.00 0.00 N ATOM 81 CA LEU A 9 22.007 9.836 18.884 1.00 0.00 C ATOM 82 C LEU A 9 20.627 9.184 18.785 1.00 0.00 C ATOM 83 O LEU A 9 20.267 8.639 17.743 1.00 0.00 O ATOM 84 CB LEU A 9 22.273 10.882 17.800 1.00 0.00 C ATOM 85 CG LEU A 9 22.374 12.332 18.276 1.00 0.00 C ATOM 86 CD1 LEU A 9 23.431 13.099 17.479 1.00 0.00 C ATOM 87 CD2 LEU A 9 21.009 13.021 18.228 1.00 0.00 C ATOM 0 H LEU A 9 23.842 9.023 18.282 1.00 0.00 H new ATOM 0 HA LEU A 9 22.037 10.377 19.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 23.202 10.622 17.292 1.00 0.00 H new ATOM 0 HB3 LEU A 9 21.476 10.819 17.059 1.00 0.00 H new ATOM 0 HG LEU A 9 22.696 12.328 19.317 1.00 0.00 H new ATOM 0 HD11 LEU A 9 23.482 14.127 17.838 1.00 0.00 H new ATOM 0 HD12 LEU A 9 24.402 12.621 17.608 1.00 0.00 H new ATOM 0 HD13 LEU A 9 23.163 13.096 16.422 1.00 0.00 H new ATOM 0 HD21 LEU A 9 21.109 14.051 18.571 1.00 0.00 H new ATOM 0 HD22 LEU A 9 20.634 13.015 17.205 1.00 0.00 H new ATOM 0 HD23 LEU A 9 20.310 12.489 18.874 1.00 0.00 H new ATOM 99 N SER A 10 19.890 9.263 19.884 1.00 0.00 N ATOM 100 CA SER A 10 18.557 8.688 19.934 1.00 0.00 C ATOM 101 C SER A 10 17.650 9.380 18.915 1.00 0.00 C ATOM 102 O SER A 10 18.014 10.413 18.356 1.00 0.00 O ATOM 103 CB SER A 10 17.960 8.801 21.338 1.00 0.00 C ATOM 104 OG SER A 10 17.545 7.536 21.846 1.00 0.00 O ATOM 0 H SER A 10 20.191 9.717 20.746 1.00 0.00 H new ATOM 0 HA SER A 10 18.632 7.630 19.685 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.698 9.238 22.011 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.108 9.480 21.316 1.00 0.00 H new ATOM 0 HG SER A 10 17.171 7.651 22.745 1.00 0.00 H new ATOM 110 N ALA A 11 16.487 8.781 18.703 1.00 0.00 N ATOM 111 CA ALA A 11 15.525 9.327 17.761 1.00 0.00 C ATOM 112 C ALA A 11 14.302 9.838 18.525 1.00 0.00 C ATOM 113 O ALA A 11 14.090 9.473 19.680 1.00 0.00 O ATOM 114 CB ALA A 11 15.162 8.261 16.726 1.00 0.00 C ATOM 0 H ALA A 11 16.189 7.923 19.168 1.00 0.00 H new ATOM 0 HA ALA A 11 15.954 10.172 17.222 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.440 8.671 16.019 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.060 7.953 16.190 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.727 7.398 17.230 1.00 0.00 H new ATOM 120 N SER A 12 13.529 10.676 17.849 1.00 0.00 N ATOM 121 CA SER A 12 12.333 11.240 18.450 1.00 0.00 C ATOM 122 C SER A 12 11.096 10.475 17.974 1.00 0.00 C ATOM 123 O SER A 12 11.176 9.680 17.039 1.00 0.00 O ATOM 124 CB SER A 12 12.198 12.727 18.116 1.00 0.00 C ATOM 125 OG SER A 12 12.220 12.963 16.711 1.00 0.00 O ATOM 0 H SER A 12 13.708 10.978 16.891 1.00 0.00 H new ATOM 0 HA SER A 12 12.417 11.144 19.533 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.266 13.109 18.533 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.009 13.280 18.589 1.00 0.00 H new ATOM 0 HG SER A 12 12.130 13.924 16.539 1.00 0.00 H new ATOM 131 N ASN A 13 9.982 10.741 18.639 1.00 0.00 N ATOM 132 CA ASN A 13 8.731 10.088 18.296 1.00 0.00 C ATOM 133 C ASN A 13 8.597 10.021 16.773 1.00 0.00 C ATOM 134 O ASN A 13 9.141 10.862 16.061 1.00 0.00 O ATOM 135 CB ASN A 13 7.533 10.868 18.842 1.00 0.00 C ATOM 136 CG ASN A 13 7.205 10.438 20.273 1.00 0.00 C ATOM 137 OD1 ASN A 13 6.407 9.546 20.513 1.00 0.00 O ATOM 138 ND2 ASN A 13 7.862 11.119 21.207 1.00 0.00 N ATOM 0 H ASN A 13 9.920 11.401 19.414 1.00 0.00 H new ATOM 0 HA ASN A 13 8.741 9.090 18.734 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.749 11.936 18.820 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.666 10.705 18.202 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.712 10.907 22.193 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.516 11.854 20.937 1.00 0.00 H new ATOM 145 N ARG A 14 7.869 9.011 16.319 1.00 0.00 N ATOM 146 CA ARG A 14 7.656 8.823 14.894 1.00 0.00 C ATOM 147 C ARG A 14 6.753 7.613 14.647 1.00 0.00 C ATOM 148 O ARG A 14 6.855 6.605 15.345 1.00 0.00 O ATOM 149 CB ARG A 14 8.984 8.618 14.162 1.00 0.00 C ATOM 150 CG ARG A 14 8.957 9.281 12.783 1.00 0.00 C ATOM 151 CD ARG A 14 9.958 10.436 12.710 1.00 0.00 C ATOM 152 NE ARG A 14 9.583 11.362 11.619 1.00 0.00 N ATOM 153 CZ ARG A 14 10.308 12.430 11.258 1.00 0.00 C ATOM 154 NH1 ARG A 14 11.450 12.712 11.899 1.00 0.00 N ATOM 155 NH2 ARG A 14 9.890 13.216 10.256 1.00 0.00 N ATOM 0 H ARG A 14 7.419 8.314 16.913 1.00 0.00 H new ATOM 0 HA ARG A 14 7.176 9.723 14.509 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.798 9.035 14.754 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.183 7.552 14.053 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.192 8.543 12.016 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.953 9.651 12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.980 10.970 13.660 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.962 10.048 12.540 1.00 0.00 H new ATOM 0 HE ARG A 14 8.719 11.176 11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.768 12.114 12.662 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.002 13.525 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.020 13.001 9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.442 14.029 9.981 1.00 0.00 H new ATOM 169 N ALA A 15 5.890 7.752 13.652 1.00 0.00 N ATOM 170 CA ALA A 15 4.970 6.682 13.304 1.00 0.00 C ATOM 171 C ALA A 15 4.743 6.682 11.791 1.00 0.00 C ATOM 172 O ALA A 15 4.421 7.716 11.208 1.00 0.00 O ATOM 173 CB ALA A 15 3.668 6.854 14.089 1.00 0.00 C ATOM 0 H ALA A 15 5.808 8.589 13.075 1.00 0.00 H new ATOM 0 HA ALA A 15 5.389 5.712 13.574 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.977 6.052 13.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.880 6.818 15.158 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.218 7.815 13.841 1.00 0.00 H new ATOM 179 N LEU A 16 4.920 5.511 11.198 1.00 0.00 N ATOM 180 CA LEU A 16 4.739 5.362 9.764 1.00 0.00 C ATOM 181 C LEU A 16 3.269 5.059 9.469 1.00 0.00 C ATOM 182 O LEU A 16 2.546 4.570 10.336 1.00 0.00 O ATOM 183 CB LEU A 16 5.707 4.316 9.207 1.00 0.00 C ATOM 184 CG LEU A 16 7.182 4.508 9.567 1.00 0.00 C ATOM 185 CD1 LEU A 16 8.014 3.303 9.126 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.721 5.819 8.991 1.00 0.00 C ATOM 0 H LEU A 16 5.187 4.655 11.685 1.00 0.00 H new ATOM 0 HA LEU A 16 4.982 6.292 9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.392 3.334 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.617 4.308 8.121 1.00 0.00 H new ATOM 0 HG LEU A 16 7.263 4.576 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.058 3.464 9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.647 2.405 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.931 3.179 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.771 5.931 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.625 5.806 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.151 6.656 9.395 1.00 0.00 H new ATOM 198 N PRO A 17 2.859 5.369 8.210 1.00 0.00 N ATOM 199 CA PRO A 17 1.488 5.134 7.790 1.00 0.00 C ATOM 200 C PRO A 17 1.238 3.646 7.541 1.00 0.00 C ATOM 201 O PRO A 17 2.181 2.870 7.394 1.00 0.00 O ATOM 202 CB PRO A 17 1.309 5.983 6.541 1.00 0.00 C ATOM 203 CG PRO A 17 2.711 6.295 6.045 1.00 0.00 C ATOM 204 CD PRO A 17 3.688 5.949 7.157 1.00 0.00 C ATOM 0 HA PRO A 17 0.761 5.412 8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.737 5.447 5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.762 6.898 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.935 5.719 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.795 7.348 5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.445 5.243 6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.216 6.835 7.511 1.00 0.00 H new ATOM 212 N VAL A 18 -0.038 3.291 7.502 1.00 0.00 N ATOM 213 CA VAL A 18 -0.424 1.909 7.274 1.00 0.00 C ATOM 214 C VAL A 18 -0.964 1.763 5.850 1.00 0.00 C ATOM 215 O VAL A 18 -2.031 2.284 5.530 1.00 0.00 O ATOM 216 CB VAL A 18 -1.426 1.463 8.341 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.012 0.090 8.004 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.782 1.458 9.729 1.00 0.00 C ATOM 0 H VAL A 18 -0.818 3.937 7.625 1.00 0.00 H new ATOM 0 HA VAL A 18 0.441 1.251 7.363 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.245 2.183 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.721 -0.203 8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.524 0.139 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.209 -0.645 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.515 1.137 10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.064 0.771 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.436 2.462 9.973 1.00 0.00 H new ATOM 228 N LEU A 19 -0.201 1.052 5.033 1.00 0.00 N ATOM 229 CA LEU A 19 -0.589 0.831 3.650 1.00 0.00 C ATOM 230 C LEU A 19 -1.236 -0.550 3.521 1.00 0.00 C ATOM 231 O LEU A 19 -0.556 -1.570 3.621 1.00 0.00 O ATOM 232 CB LEU A 19 0.607 1.039 2.718 1.00 0.00 C ATOM 233 CG LEU A 19 0.330 0.866 1.223 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.059 2.198 0.580 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.522 0.214 0.518 1.00 0.00 C ATOM 0 H LEU A 19 0.684 0.622 5.302 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.335 1.564 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.999 2.043 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.392 0.340 3.005 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.520 0.194 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.250 2.047 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.958 2.585 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.754 2.913 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.300 0.102 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.405 0.842 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.711 -0.767 0.955 1.00 0.00 H new ATOM 247 N THR A 20 -2.542 -0.537 3.300 1.00 0.00 N ATOM 248 CA THR A 20 -3.289 -1.776 3.156 1.00 0.00 C ATOM 249 C THR A 20 -3.080 -2.365 1.759 1.00 0.00 C ATOM 250 O THR A 20 -3.515 -1.784 0.766 1.00 0.00 O ATOM 251 CB THR A 20 -4.755 -1.484 3.480 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.702 -0.745 4.697 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.536 -2.748 3.845 1.00 0.00 C ATOM 0 H THR A 20 -3.102 0.311 3.217 1.00 0.00 H new ATOM 0 HA THR A 20 -2.933 -2.536 3.851 1.00 0.00 H new ATOM 0 HB THR A 20 -5.226 -1.000 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.611 -0.513 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.571 -2.485 4.066 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.510 -3.446 3.008 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.085 -3.214 4.721 1.00 0.00 H new ATOM 261 N LEU A 21 -2.415 -3.510 1.728 1.00 0.00 N ATOM 262 CA LEU A 21 -2.144 -4.184 0.470 1.00 0.00 C ATOM 263 C LEU A 21 -3.076 -5.389 0.330 1.00 0.00 C ATOM 264 O LEU A 21 -3.089 -6.271 1.188 1.00 0.00 O ATOM 265 CB LEU A 21 -0.659 -4.539 0.361 1.00 0.00 C ATOM 266 CG LEU A 21 -0.315 -5.708 -0.564 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.829 -5.454 -1.982 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.186 -6.000 -0.542 1.00 0.00 C ATOM 0 H LEU A 21 -2.056 -3.988 2.554 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.352 -3.521 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.119 -3.657 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.287 -4.770 1.359 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.822 -6.599 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.571 -6.300 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.912 -5.333 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.370 -4.548 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.404 -6.835 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.733 -5.118 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.492 -6.255 0.472 1.00 0.00 H new ATOM 280 N PHE A 22 -3.834 -5.388 -0.756 1.00 0.00 N ATOM 281 CA PHE A 22 -4.767 -6.470 -1.019 1.00 0.00 C ATOM 282 C PHE A 22 -4.254 -7.377 -2.139 1.00 0.00 C ATOM 283 O PHE A 22 -4.389 -7.051 -3.318 1.00 0.00 O ATOM 284 CB PHE A 22 -6.084 -5.828 -1.462 1.00 0.00 C ATOM 285 CG PHE A 22 -6.837 -5.115 -0.337 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.456 -5.840 0.633 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.888 -3.756 -0.308 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.155 -5.178 1.677 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.588 -3.094 0.736 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.206 -3.819 1.706 1.00 0.00 C ATOM 0 H PHE A 22 -3.821 -4.654 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.892 -7.079 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.878 -5.112 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.728 -6.599 -1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.416 -6.919 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.396 -3.180 -1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.646 -5.753 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.629 -2.015 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.738 -3.316 2.500 1.00 0.00 H new ATOM 300 N THR A 23 -3.675 -8.497 -1.732 1.00 0.00 N ATOM 301 CA THR A 23 -3.141 -9.453 -2.686 1.00 0.00 C ATOM 302 C THR A 23 -4.049 -10.681 -2.777 1.00 0.00 C ATOM 303 O THR A 23 -4.977 -10.831 -1.984 1.00 0.00 O ATOM 304 CB THR A 23 -1.707 -9.788 -2.269 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.451 -11.047 -2.885 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.586 -10.074 -0.771 1.00 0.00 C ATOM 0 H THR A 23 -3.564 -8.764 -0.754 1.00 0.00 H new ATOM 0 HA THR A 23 -3.113 -9.033 -3.691 1.00 0.00 H new ATOM 0 HB THR A 23 -1.049 -8.961 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.653 -10.979 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.549 -10.306 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.904 -9.198 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.219 -10.923 -0.510 1.00 0.00 H new ATOM 314 N LYS A 24 -3.750 -11.528 -3.751 1.00 0.00 N ATOM 315 CA LYS A 24 -4.529 -12.738 -3.955 1.00 0.00 C ATOM 316 C LYS A 24 -3.784 -13.661 -4.922 1.00 0.00 C ATOM 317 O LYS A 24 -2.669 -13.355 -5.343 1.00 0.00 O ATOM 318 CB LYS A 24 -5.949 -12.392 -4.407 1.00 0.00 C ATOM 319 CG LYS A 24 -5.973 -11.998 -5.886 1.00 0.00 C ATOM 320 CD LYS A 24 -7.145 -12.662 -6.611 1.00 0.00 C ATOM 321 CE LYS A 24 -6.712 -13.196 -7.978 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.874 -13.287 -8.890 1.00 0.00 N ATOM 0 H LYS A 24 -2.980 -11.401 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.642 -13.281 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.605 -13.247 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.338 -11.573 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.052 -10.915 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.035 -12.290 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.537 -13.479 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.954 -11.942 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.955 -12.540 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.254 -14.179 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.563 -13.651 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.583 -13.931 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.293 -12.343 -9.013 1.00 0.00 H new ATOM 336 N ALA A 25 -4.429 -14.772 -5.244 1.00 0.00 N ATOM 337 CA ALA A 25 -3.842 -15.742 -6.153 1.00 0.00 C ATOM 338 C ALA A 25 -4.958 -16.515 -6.859 1.00 0.00 C ATOM 339 O ALA A 25 -5.991 -16.807 -6.258 1.00 0.00 O ATOM 340 CB ALA A 25 -2.896 -16.661 -5.377 1.00 0.00 C ATOM 0 H ALA A 25 -5.353 -15.022 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.253 -15.241 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.455 -17.389 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.105 -16.067 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.453 -17.183 -4.599 1.00 0.00 H new ATOM 346 N PRO A 26 -4.705 -16.833 -8.156 1.00 0.00 N ATOM 347 CA PRO A 26 -3.456 -16.449 -8.792 1.00 0.00 C ATOM 348 C PRO A 26 -3.443 -14.955 -9.119 1.00 0.00 C ATOM 349 O PRO A 26 -4.471 -14.388 -9.487 1.00 0.00 O ATOM 350 CB PRO A 26 -3.356 -17.329 -10.027 1.00 0.00 C ATOM 351 CG PRO A 26 -4.764 -17.839 -10.290 1.00 0.00 C ATOM 352 CD PRO A 26 -5.599 -17.563 -9.051 1.00 0.00 C ATOM 0 HA PRO A 26 -2.592 -16.596 -8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.980 -16.764 -10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.665 -18.156 -9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.194 -17.341 -11.159 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.748 -18.907 -10.510 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.484 -16.975 -9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.947 -18.489 -8.594 1.00 0.00 H new ATOM 360 N CYS A 27 -2.269 -14.360 -8.973 1.00 0.00 N ATOM 361 CA CYS A 27 -2.109 -12.942 -9.249 1.00 0.00 C ATOM 362 C CYS A 27 -0.616 -12.609 -9.206 1.00 0.00 C ATOM 363 O CYS A 27 -0.043 -12.448 -8.130 1.00 0.00 O ATOM 364 CB CYS A 27 -2.914 -12.081 -8.273 1.00 0.00 C ATOM 365 SG CYS A 27 -4.044 -10.978 -9.197 1.00 0.00 S ATOM 0 H CYS A 27 -1.419 -14.834 -8.667 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.502 -12.716 -10.240 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.486 -12.719 -7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.239 -11.489 -7.655 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.724 -10.253 -8.359 1.00 0.00 H new ATOM 371 N PRO A 28 -0.013 -12.514 -10.421 1.00 0.00 N ATOM 372 CA PRO A 28 1.402 -12.204 -10.532 1.00 0.00 C ATOM 373 C PRO A 28 1.662 -10.723 -10.249 1.00 0.00 C ATOM 374 O PRO A 28 2.803 -10.322 -10.021 1.00 0.00 O ATOM 375 CB PRO A 28 1.785 -12.614 -11.945 1.00 0.00 C ATOM 376 CG PRO A 28 0.481 -12.704 -12.721 1.00 0.00 C ATOM 377 CD PRO A 28 -0.660 -12.699 -11.717 1.00 0.00 C ATOM 0 HA PRO A 28 2.008 -12.736 -9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.458 -11.884 -12.395 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.307 -13.571 -11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.388 -11.864 -13.409 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.456 -13.613 -13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.367 -11.896 -11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.221 -13.633 -11.750 1.00 0.00 H new ATOM 385 N LEU A 29 0.586 -9.951 -10.271 1.00 0.00 N ATOM 386 CA LEU A 29 0.684 -8.523 -10.019 1.00 0.00 C ATOM 387 C LEU A 29 0.974 -8.290 -8.535 1.00 0.00 C ATOM 388 O LEU A 29 1.913 -7.576 -8.187 1.00 0.00 O ATOM 389 CB LEU A 29 -0.570 -7.803 -10.520 1.00 0.00 C ATOM 390 CG LEU A 29 -0.769 -7.780 -12.037 1.00 0.00 C ATOM 391 CD1 LEU A 29 -0.616 -9.181 -12.632 1.00 0.00 C ATOM 392 CD2 LEU A 29 -2.111 -7.145 -12.405 1.00 0.00 C ATOM 0 H LEU A 29 -0.358 -10.287 -10.459 1.00 0.00 H new ATOM 0 HA LEU A 29 1.515 -8.094 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.442 -8.275 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.542 -6.774 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 29 0.012 -7.158 -12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.762 -9.136 -13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.383 -9.561 -12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.359 -9.846 -12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.227 -7.141 -13.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.921 -7.720 -11.955 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.143 -6.121 -12.033 1.00 0.00 H new ATOM 404 N CYS A 30 0.151 -8.907 -7.700 1.00 0.00 N ATOM 405 CA CYS A 30 0.308 -8.776 -6.261 1.00 0.00 C ATOM 406 C CYS A 30 1.782 -8.996 -5.917 1.00 0.00 C ATOM 407 O CYS A 30 2.341 -8.286 -5.082 1.00 0.00 O ATOM 408 CB CYS A 30 -0.606 -9.740 -5.502 1.00 0.00 C ATOM 409 SG CYS A 30 0.100 -11.428 -5.536 1.00 0.00 S ATOM 0 H CYS A 30 -0.627 -9.499 -7.992 1.00 0.00 H new ATOM 0 HA CYS A 30 0.009 -7.775 -5.949 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.724 -9.407 -4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.599 -9.743 -5.952 1.00 0.00 H new ATOM 0 HG CYS A 30 0.287 -11.795 -6.769 1.00 0.00 H new ATOM 415 N ASP A 31 2.371 -9.982 -6.578 1.00 0.00 N ATOM 416 CA ASP A 31 3.769 -10.305 -6.352 1.00 0.00 C ATOM 417 C ASP A 31 4.635 -9.110 -6.757 1.00 0.00 C ATOM 418 O ASP A 31 5.325 -8.528 -5.921 1.00 0.00 O ATOM 419 CB ASP A 31 4.200 -11.507 -7.194 1.00 0.00 C ATOM 420 CG ASP A 31 4.322 -12.824 -6.425 1.00 0.00 C ATOM 421 OD1 ASP A 31 4.503 -12.746 -5.191 1.00 0.00 O ATOM 422 OD2 ASP A 31 4.231 -13.880 -7.089 1.00 0.00 O ATOM 0 H ASP A 31 1.905 -10.568 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 31 3.894 -10.542 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.482 -11.641 -8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.162 -11.282 -7.655 1.00 0.00 H new ATOM 427 N GLU A 32 4.571 -8.780 -8.038 1.00 0.00 N ATOM 428 CA GLU A 32 5.340 -7.665 -8.564 1.00 0.00 C ATOM 429 C GLU A 32 5.133 -6.421 -7.697 1.00 0.00 C ATOM 430 O GLU A 32 6.097 -5.822 -7.224 1.00 0.00 O ATOM 431 CB GLU A 32 4.974 -7.385 -10.022 1.00 0.00 C ATOM 432 CG GLU A 32 6.199 -6.929 -10.818 1.00 0.00 C ATOM 433 CD GLU A 32 6.550 -7.941 -11.910 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.710 -9.129 -11.553 1.00 0.00 O ATOM 435 OE2 GLU A 32 6.652 -7.505 -13.077 1.00 0.00 O ATOM 0 H GLU A 32 3.998 -9.266 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 32 6.396 -7.932 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.556 -8.284 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.201 -6.617 -10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.003 -5.956 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.048 -6.804 -10.146 1.00 0.00 H new ATOM 442 N ALA A 33 3.868 -6.070 -7.516 1.00 0.00 N ATOM 443 CA ALA A 33 3.521 -4.909 -6.714 1.00 0.00 C ATOM 444 C ALA A 33 4.431 -4.853 -5.485 1.00 0.00 C ATOM 445 O ALA A 33 5.171 -3.888 -5.300 1.00 0.00 O ATOM 446 CB ALA A 33 2.039 -4.970 -6.340 1.00 0.00 C ATOM 0 H ALA A 33 3.071 -6.569 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 33 3.676 -3.991 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.779 -4.099 -5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.435 -4.978 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.845 -5.877 -5.767 1.00 0.00 H new ATOM 452 N LYS A 34 4.346 -5.900 -4.678 1.00 0.00 N ATOM 453 CA LYS A 34 5.152 -5.981 -3.472 1.00 0.00 C ATOM 454 C LYS A 34 6.596 -5.595 -3.801 1.00 0.00 C ATOM 455 O LYS A 34 7.178 -4.735 -3.142 1.00 0.00 O ATOM 456 CB LYS A 34 5.016 -7.363 -2.829 1.00 0.00 C ATOM 457 CG LYS A 34 3.566 -7.643 -2.430 1.00 0.00 C ATOM 458 CD LYS A 34 3.293 -9.147 -2.374 1.00 0.00 C ATOM 459 CE LYS A 34 2.538 -9.519 -1.096 1.00 0.00 C ATOM 460 NZ LYS A 34 3.181 -10.676 -0.433 1.00 0.00 N ATOM 0 H LYS A 34 3.732 -6.699 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 34 4.794 -5.271 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.359 -8.127 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.657 -7.423 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.360 -7.196 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.891 -7.174 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.711 -9.447 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.235 -9.693 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.519 -8.667 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.502 -9.759 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.814 -10.769 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.971 -11.543 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.210 -10.530 -0.401 1.00 0.00 H new ATOM 474 N GLU A 35 7.132 -6.250 -4.820 1.00 0.00 N ATOM 475 CA GLU A 35 8.496 -5.987 -5.245 1.00 0.00 C ATOM 476 C GLU A 35 8.694 -4.490 -5.494 1.00 0.00 C ATOM 477 O GLU A 35 9.811 -3.983 -5.395 1.00 0.00 O ATOM 478 CB GLU A 35 8.850 -6.801 -6.491 1.00 0.00 C ATOM 479 CG GLU A 35 8.349 -8.242 -6.364 1.00 0.00 C ATOM 480 CD GLU A 35 9.269 -9.209 -7.112 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.465 -9.249 -6.751 1.00 0.00 O ATOM 482 OE2 GLU A 35 8.755 -9.888 -8.027 1.00 0.00 O ATOM 0 H GLU A 35 6.646 -6.963 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 35 9.170 -6.296 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.409 -6.335 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.930 -6.799 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.299 -8.522 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.337 -8.316 -6.762 1.00 0.00 H new ATOM 489 N VAL A 36 7.594 -3.825 -5.813 1.00 0.00 N ATOM 490 CA VAL A 36 7.633 -2.397 -6.078 1.00 0.00 C ATOM 491 C VAL A 36 7.595 -1.636 -4.751 1.00 0.00 C ATOM 492 O VAL A 36 8.014 -0.481 -4.681 1.00 0.00 O ATOM 493 CB VAL A 36 6.494 -2.008 -7.022 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.670 -0.577 -7.535 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.384 -2.997 -8.185 1.00 0.00 C ATOM 0 H VAL A 36 6.670 -4.249 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 36 8.561 -2.127 -6.582 1.00 0.00 H new ATOM 0 HB VAL A 36 5.563 -2.049 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.847 -0.326 -8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.676 0.114 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.613 -0.498 -8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.567 -2.698 -8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.318 -3.002 -8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.189 -3.996 -7.796 1.00 0.00 H new ATOM 505 N LEU A 37 7.089 -2.313 -3.731 1.00 0.00 N ATOM 506 CA LEU A 37 6.991 -1.716 -2.410 1.00 0.00 C ATOM 507 C LEU A 37 8.174 -2.176 -1.557 1.00 0.00 C ATOM 508 O LEU A 37 8.332 -1.737 -0.419 1.00 0.00 O ATOM 509 CB LEU A 37 5.627 -2.018 -1.785 1.00 0.00 C ATOM 510 CG LEU A 37 4.412 -1.439 -2.512 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.175 -1.456 -1.612 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.711 -0.038 -3.050 1.00 0.00 C ATOM 0 H LEU A 37 6.742 -3.270 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 37 7.051 -0.630 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.508 -3.100 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.627 -1.641 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 37 4.194 -2.073 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.326 -1.039 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.951 -2.482 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.366 -0.859 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.831 0.351 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.970 0.622 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.546 -0.087 -3.749 1.00 0.00 H new ATOM 524 N GLN A 38 8.976 -3.056 -2.140 1.00 0.00 N ATOM 525 CA GLN A 38 10.140 -3.581 -1.448 1.00 0.00 C ATOM 526 C GLN A 38 10.934 -2.442 -0.805 1.00 0.00 C ATOM 527 O GLN A 38 11.246 -2.491 0.383 1.00 0.00 O ATOM 528 CB GLN A 38 11.021 -4.395 -2.397 1.00 0.00 C ATOM 529 CG GLN A 38 10.986 -5.882 -2.038 1.00 0.00 C ATOM 530 CD GLN A 38 12.378 -6.387 -1.655 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.559 -7.124 -0.699 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.350 -5.951 -2.452 1.00 0.00 N ATOM 0 H GLN A 38 8.842 -3.418 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 38 9.798 -4.250 -0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.681 -4.257 -3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.047 -4.030 -2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.296 -6.044 -1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.608 -6.455 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.130 -5.336 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.315 -6.232 -2.280 1.00 0.00 H new ATOM 541 N PRO A 39 11.246 -1.415 -1.641 1.00 0.00 N ATOM 542 CA PRO A 39 11.997 -0.266 -1.167 1.00 0.00 C ATOM 543 C PRO A 39 11.118 0.651 -0.315 1.00 0.00 C ATOM 544 O PRO A 39 11.571 1.695 0.151 1.00 0.00 O ATOM 545 CB PRO A 39 12.516 0.411 -2.425 1.00 0.00 C ATOM 546 CG PRO A 39 11.656 -0.111 -3.565 1.00 0.00 C ATOM 547 CD PRO A 39 10.893 -1.322 -3.055 1.00 0.00 C ATOM 0 HA PRO A 39 12.822 -0.545 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.441 1.495 -2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.567 0.176 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.965 0.660 -3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.277 -0.383 -4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.818 -1.197 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.178 -2.225 -3.594 1.00 0.00 H new ATOM 555 N TYR A 40 9.875 0.227 -0.136 1.00 0.00 N ATOM 556 CA TYR A 40 8.928 0.996 0.652 1.00 0.00 C ATOM 557 C TYR A 40 8.393 0.171 1.825 1.00 0.00 C ATOM 558 O TYR A 40 7.458 0.588 2.506 1.00 0.00 O ATOM 559 CB TYR A 40 7.770 1.332 -0.290 1.00 0.00 C ATOM 560 CG TYR A 40 8.170 2.203 -1.482 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.586 1.614 -2.659 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.115 3.578 -1.380 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.962 2.434 -3.781 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.492 4.398 -2.502 1.00 0.00 C ATOM 565 CZ TYR A 40 8.897 3.786 -3.647 1.00 0.00 C ATOM 566 OH TYR A 40 9.252 4.561 -4.707 1.00 0.00 O ATOM 0 H TYR A 40 9.502 -0.640 -0.524 1.00 0.00 H new ATOM 0 HA TYR A 40 9.404 1.886 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.336 0.404 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.992 1.844 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.629 0.538 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.789 4.039 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.288 1.986 -4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.454 5.475 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 40 9.519 3.988 -5.456 1.00 0.00 H new ATOM 576 N LYS A 41 9.010 -0.984 2.024 1.00 0.00 N ATOM 577 CA LYS A 41 8.607 -1.871 3.102 1.00 0.00 C ATOM 578 C LYS A 41 8.808 -1.161 4.443 1.00 0.00 C ATOM 579 O LYS A 41 7.929 -1.189 5.302 1.00 0.00 O ATOM 580 CB LYS A 41 9.343 -3.209 2.999 1.00 0.00 C ATOM 581 CG LYS A 41 8.883 -3.993 1.768 1.00 0.00 C ATOM 582 CD LYS A 41 7.467 -4.541 1.965 1.00 0.00 C ATOM 583 CE LYS A 41 7.416 -5.519 3.139 1.00 0.00 C ATOM 584 NZ LYS A 41 6.931 -6.844 2.690 1.00 0.00 N ATOM 0 H LYS A 41 9.786 -1.326 1.457 1.00 0.00 H new ATOM 0 HA LYS A 41 7.546 -2.110 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.417 -3.034 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.163 -3.798 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.908 -3.347 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.572 -4.816 1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.776 -3.717 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.137 -5.042 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.408 -5.619 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.759 -5.129 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.430 -7.313 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.282 -6.722 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.740 -7.429 2.397 1.00 0.00 H new ATOM 598 N ASP A 42 9.972 -0.542 4.579 1.00 0.00 N ATOM 599 CA ASP A 42 10.300 0.174 5.801 1.00 0.00 C ATOM 600 C ASP A 42 9.688 1.575 5.745 1.00 0.00 C ATOM 601 O ASP A 42 9.552 2.238 6.772 1.00 0.00 O ATOM 602 CB ASP A 42 11.814 0.325 5.961 1.00 0.00 C ATOM 603 CG ASP A 42 12.418 -0.433 7.144 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.657 -1.196 7.778 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.627 -0.232 7.389 1.00 0.00 O ATOM 0 H ASP A 42 10.699 -0.521 3.864 1.00 0.00 H new ATOM 0 HA ASP A 42 9.904 -0.394 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.297 -0.017 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.049 1.384 6.069 1.00 0.00 H new ATOM 610 N ARG A 43 9.335 1.984 4.535 1.00 0.00 N ATOM 611 CA ARG A 43 8.740 3.294 4.332 1.00 0.00 C ATOM 612 C ARG A 43 7.408 3.395 5.079 1.00 0.00 C ATOM 613 O ARG A 43 6.998 4.482 5.482 1.00 0.00 O ATOM 614 CB ARG A 43 8.505 3.569 2.846 1.00 0.00 C ATOM 615 CG ARG A 43 9.784 4.070 2.172 1.00 0.00 C ATOM 616 CD ARG A 43 10.107 5.501 2.605 1.00 0.00 C ATOM 617 NE ARG A 43 11.179 5.492 3.626 1.00 0.00 N ATOM 618 CZ ARG A 43 12.433 5.079 3.394 1.00 0.00 C ATOM 619 NH1 ARG A 43 12.780 4.641 2.176 1.00 0.00 N ATOM 620 NH2 ARG A 43 13.340 5.106 4.380 1.00 0.00 N ATOM 0 H ARG A 43 9.450 1.431 3.685 1.00 0.00 H new ATOM 0 HA ARG A 43 9.436 4.037 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.163 2.659 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.714 4.310 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.615 3.413 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.668 4.031 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.420 6.089 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.214 5.978 3.008 1.00 0.00 H new ATOM 0 HE ARG A 43 10.949 5.820 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.090 4.622 1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.734 4.327 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.076 5.441 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.294 4.792 4.204 1.00 0.00 H new ATOM 634 N PHE A 44 6.770 2.245 5.241 1.00 0.00 N ATOM 635 CA PHE A 44 5.493 2.190 5.932 1.00 0.00 C ATOM 636 C PHE A 44 5.154 0.756 6.345 1.00 0.00 C ATOM 637 O PHE A 44 5.950 -0.158 6.136 1.00 0.00 O ATOM 638 CB PHE A 44 4.431 2.689 4.950 1.00 0.00 C ATOM 639 CG PHE A 44 4.510 2.042 3.566 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.336 0.700 3.431 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.755 2.810 2.470 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.409 0.100 2.146 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.828 2.209 1.185 1.00 0.00 C ATOM 644 CZ PHE A 44 4.654 0.867 1.051 1.00 0.00 C ATOM 0 H PHE A 44 7.113 1.345 4.906 1.00 0.00 H new ATOM 0 HA PHE A 44 5.532 2.800 6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.444 2.501 5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.530 3.769 4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.142 0.090 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.894 3.876 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.270 -0.966 2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.022 2.818 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.711 0.410 0.074 1.00 0.00 H new ATOM 654 N ILE A 45 3.972 0.604 6.924 1.00 0.00 N ATOM 655 CA ILE A 45 3.519 -0.703 7.368 1.00 0.00 C ATOM 656 C ILE A 45 2.639 -1.329 6.284 1.00 0.00 C ATOM 657 O ILE A 45 1.461 -0.996 6.168 1.00 0.00 O ATOM 658 CB ILE A 45 2.834 -0.598 8.732 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.784 -0.016 9.780 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.261 -1.949 9.164 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.015 0.779 10.837 1.00 0.00 C ATOM 0 H ILE A 45 3.314 1.364 7.096 1.00 0.00 H new ATOM 0 HA ILE A 45 4.368 -1.371 7.514 1.00 0.00 H new ATOM 0 HB ILE A 45 1.995 0.092 8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.340 -0.822 10.259 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.515 0.630 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.780 -1.846 10.137 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.528 -2.285 8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.066 -2.680 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.714 1.182 11.570 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.480 1.599 10.358 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.302 0.124 11.338 1.00 0.00 H new ATOM 673 N LEU A 46 3.246 -2.224 5.518 1.00 0.00 N ATOM 674 CA LEU A 46 2.532 -2.898 4.447 1.00 0.00 C ATOM 675 C LEU A 46 1.592 -3.946 5.048 1.00 0.00 C ATOM 676 O LEU A 46 2.038 -5.000 5.497 1.00 0.00 O ATOM 677 CB LEU A 46 3.516 -3.469 3.424 1.00 0.00 C ATOM 678 CG LEU A 46 2.897 -4.052 2.152 1.00 0.00 C ATOM 679 CD1 LEU A 46 2.086 -2.993 1.402 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.968 -4.688 1.263 1.00 0.00 C ATOM 0 H LEU A 46 4.223 -2.498 5.618 1.00 0.00 H new ATOM 0 HA LEU A 46 1.912 -2.190 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.211 -2.679 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.103 -4.249 3.909 1.00 0.00 H new ATOM 0 HG LEU A 46 2.205 -4.844 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.657 -3.433 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.285 -2.626 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.738 -2.164 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.502 -5.095 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.702 -3.933 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.465 -5.490 1.809 1.00 0.00 H new ATOM 692 N GLN A 47 0.308 -3.619 5.036 1.00 0.00 N ATOM 693 CA GLN A 47 -0.698 -4.518 5.574 1.00 0.00 C ATOM 694 C GLN A 47 -1.271 -5.400 4.462 1.00 0.00 C ATOM 695 O GLN A 47 -2.157 -4.975 3.722 1.00 0.00 O ATOM 696 CB GLN A 47 -1.808 -3.739 6.282 1.00 0.00 C ATOM 697 CG GLN A 47 -2.395 -4.549 7.439 1.00 0.00 C ATOM 698 CD GLN A 47 -3.675 -3.900 7.970 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.516 -3.425 7.224 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.775 -3.906 9.296 1.00 0.00 N ATOM 0 H GLN A 47 -0.058 -2.744 4.662 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.223 -5.162 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.412 -2.796 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.595 -3.493 5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.610 -5.564 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.662 -4.626 8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.034 -4.320 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.593 -3.496 9.748 1.00 0.00 H new ATOM 709 N GLU A 48 -0.741 -6.612 4.380 1.00 0.00 N ATOM 710 CA GLU A 48 -1.188 -7.557 3.371 1.00 0.00 C ATOM 711 C GLU A 48 -2.516 -8.190 3.788 1.00 0.00 C ATOM 712 O GLU A 48 -2.546 -9.070 4.647 1.00 0.00 O ATOM 713 CB GLU A 48 -0.126 -8.629 3.115 1.00 0.00 C ATOM 714 CG GLU A 48 0.680 -8.311 1.854 1.00 0.00 C ATOM 715 CD GLU A 48 2.142 -8.735 2.017 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.355 -9.920 2.353 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.012 -7.865 1.801 1.00 0.00 O ATOM 0 H GLU A 48 -0.006 -6.961 4.996 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.343 -7.016 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.544 -8.695 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.605 -9.603 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.242 -8.825 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.628 -7.243 1.645 1.00 0.00 H new ATOM 724 N VAL A 49 -3.583 -7.718 3.160 1.00 0.00 N ATOM 725 CA VAL A 49 -4.912 -8.227 3.456 1.00 0.00 C ATOM 726 C VAL A 49 -5.252 -9.352 2.476 1.00 0.00 C ATOM 727 O VAL A 49 -5.162 -9.172 1.263 1.00 0.00 O ATOM 728 CB VAL A 49 -5.928 -7.083 3.429 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.350 -7.609 3.636 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.581 -6.016 4.469 1.00 0.00 C ATOM 0 H VAL A 49 -3.554 -6.989 2.447 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.945 -8.650 4.460 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.882 -6.617 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.053 -6.776 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.596 -8.314 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.415 -8.112 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.319 -5.215 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.584 -6.462 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.592 -5.610 4.257 1.00 0.00 H new ATOM 740 N ASP A 50 -5.635 -10.488 3.040 1.00 0.00 N ATOM 741 CA ASP A 50 -5.989 -11.642 2.232 1.00 0.00 C ATOM 742 C ASP A 50 -7.471 -11.564 1.860 1.00 0.00 C ATOM 743 O ASP A 50 -8.338 -11.854 2.683 1.00 0.00 O ATOM 744 CB ASP A 50 -5.763 -12.944 3.003 1.00 0.00 C ATOM 745 CG ASP A 50 -4.315 -13.437 3.030 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.552 -12.909 3.868 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.003 -14.330 2.213 1.00 0.00 O ATOM 0 H ASP A 50 -5.708 -10.634 4.047 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.360 -11.636 1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.103 -12.804 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.388 -13.722 2.564 1.00 0.00 H new ATOM 752 N ILE A 51 -7.717 -11.171 0.618 1.00 0.00 N ATOM 753 CA ILE A 51 -9.079 -11.052 0.127 1.00 0.00 C ATOM 754 C ILE A 51 -9.600 -12.437 -0.261 1.00 0.00 C ATOM 755 O ILE A 51 -10.808 -12.640 -0.374 1.00 0.00 O ATOM 756 CB ILE A 51 -9.151 -10.027 -1.007 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.264 -10.445 -2.181 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.809 -8.624 -0.501 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.727 -9.784 -3.481 1.00 0.00 C ATOM 0 H ILE A 51 -6.996 -10.931 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.735 -10.673 0.911 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.177 -9.995 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.230 -10.168 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.288 -11.529 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.868 -7.915 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.516 -8.335 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.799 -8.621 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.079 -10.098 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.753 -10.082 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.679 -8.700 -3.375 1.00 0.00 H new ATOM 771 N THR A 52 -8.663 -13.353 -0.455 1.00 0.00 N ATOM 772 CA THR A 52 -9.013 -14.713 -0.829 1.00 0.00 C ATOM 773 C THR A 52 -9.669 -15.438 0.349 1.00 0.00 C ATOM 774 O THR A 52 -10.142 -16.564 0.204 1.00 0.00 O ATOM 775 CB THR A 52 -7.747 -15.404 -1.338 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.948 -15.571 -0.169 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.905 -14.496 -2.237 1.00 0.00 C ATOM 0 H THR A 52 -7.662 -13.181 -0.360 1.00 0.00 H new ATOM 0 HA THR A 52 -9.752 -14.725 -1.630 1.00 0.00 H new ATOM 0 HB THR A 52 -8.022 -16.305 -1.887 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.107 -16.014 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.018 -15.035 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.494 -14.194 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.602 -13.610 -1.678 1.00 0.00 H new ATOM 785 N LEU A 53 -9.676 -14.761 1.488 1.00 0.00 N ATOM 786 CA LEU A 53 -10.266 -15.327 2.690 1.00 0.00 C ATOM 787 C LEU A 53 -11.789 -15.188 2.619 1.00 0.00 C ATOM 788 O LEU A 53 -12.306 -14.365 1.866 1.00 0.00 O ATOM 789 CB LEU A 53 -9.649 -14.694 3.938 1.00 0.00 C ATOM 790 CG LEU A 53 -8.300 -15.264 4.381 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.767 -14.521 5.608 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.393 -16.772 4.620 1.00 0.00 C ATOM 0 H LEU A 53 -9.283 -13.827 1.604 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.045 -16.392 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.528 -13.626 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.354 -14.800 4.762 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.583 -15.110 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.807 -14.946 5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.638 -13.466 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.475 -14.621 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.421 -17.151 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.129 -16.972 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.696 -17.269 3.698 1.00 0.00 H new ATOM 804 N PRO A 54 -12.481 -16.028 3.435 1.00 0.00 N ATOM 805 CA PRO A 54 -13.933 -16.007 3.472 1.00 0.00 C ATOM 806 C PRO A 54 -14.444 -14.785 4.238 1.00 0.00 C ATOM 807 O PRO A 54 -15.454 -14.191 3.863 1.00 0.00 O ATOM 808 CB PRO A 54 -14.329 -17.323 4.120 1.00 0.00 C ATOM 809 CG PRO A 54 -13.088 -17.823 4.841 1.00 0.00 C ATOM 810 CD PRO A 54 -11.901 -17.016 4.340 1.00 0.00 C ATOM 0 HA PRO A 54 -14.378 -15.917 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.155 -17.182 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.662 -18.042 3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.200 -17.708 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.936 -18.885 4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.372 -16.536 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.180 -17.650 3.824 1.00 0.00 H new ATOM 818 N GLU A 55 -13.724 -14.447 5.297 1.00 0.00 N ATOM 819 CA GLU A 55 -14.092 -13.307 6.119 1.00 0.00 C ATOM 820 C GLU A 55 -13.696 -12.002 5.426 1.00 0.00 C ATOM 821 O GLU A 55 -14.166 -10.928 5.799 1.00 0.00 O ATOM 822 CB GLU A 55 -13.457 -13.404 7.508 1.00 0.00 C ATOM 823 CG GLU A 55 -11.939 -13.231 7.430 1.00 0.00 C ATOM 824 CD GLU A 55 -11.268 -13.687 8.727 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.140 -12.832 9.631 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.897 -14.879 8.786 1.00 0.00 O ATOM 0 H GLU A 55 -12.887 -14.943 5.605 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.174 -13.313 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.881 -12.640 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.694 -14.370 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.546 -13.806 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.698 -12.185 7.240 1.00 0.00 H new ATOM 833 N ASN A 56 -12.834 -12.137 4.428 1.00 0.00 N ATOM 834 CA ASN A 56 -12.369 -10.982 3.679 1.00 0.00 C ATOM 835 C ASN A 56 -12.947 -11.032 2.263 1.00 0.00 C ATOM 836 O ASN A 56 -12.599 -10.209 1.417 1.00 0.00 O ATOM 837 CB ASN A 56 -10.843 -10.976 3.567 1.00 0.00 C ATOM 838 CG ASN A 56 -10.193 -10.848 4.946 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.738 -10.260 5.866 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.001 -11.431 5.038 1.00 0.00 N ATOM 0 H ASN A 56 -12.446 -13.029 4.121 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.695 -10.085 4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.506 -11.894 3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.525 -10.149 2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.486 -11.402 5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.602 -11.907 4.229 1.00 0.00 H new ATOM 847 N SER A 57 -13.819 -12.006 2.048 1.00 0.00 N ATOM 848 CA SER A 57 -14.449 -12.173 0.749 1.00 0.00 C ATOM 849 C SER A 57 -15.016 -10.837 0.266 1.00 0.00 C ATOM 850 O SER A 57 -15.201 -10.634 -0.933 1.00 0.00 O ATOM 851 CB SER A 57 -15.553 -13.230 0.804 1.00 0.00 C ATOM 852 OG SER A 57 -15.592 -14.025 -0.378 1.00 0.00 O ATOM 0 H SER A 57 -14.104 -12.688 2.751 1.00 0.00 H new ATOM 0 HA SER A 57 -13.692 -12.515 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.395 -13.874 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.517 -12.740 0.943 1.00 0.00 H new ATOM 0 HG SER A 57 -16.309 -14.689 -0.302 1.00 0.00 H new ATOM 858 N THR A 58 -15.277 -9.960 1.224 1.00 0.00 N ATOM 859 CA THR A 58 -15.819 -8.649 0.912 1.00 0.00 C ATOM 860 C THR A 58 -14.785 -7.809 0.161 1.00 0.00 C ATOM 861 O THR A 58 -15.070 -7.278 -0.911 1.00 0.00 O ATOM 862 CB THR A 58 -16.290 -8.008 2.219 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.524 -8.663 2.502 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.680 -6.539 2.044 1.00 0.00 C ATOM 0 H THR A 58 -15.123 -10.132 2.218 1.00 0.00 H new ATOM 0 HA THR A 58 -16.677 -8.725 0.244 1.00 0.00 H new ATOM 0 HB THR A 58 -15.501 -8.087 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.899 -8.309 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.007 -6.133 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.820 -5.974 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.492 -6.462 1.321 1.00 0.00 H new ATOM 872 N TRP A 59 -13.604 -7.714 0.755 1.00 0.00 N ATOM 873 CA TRP A 59 -12.525 -6.947 0.156 1.00 0.00 C ATOM 874 C TRP A 59 -12.341 -7.433 -1.283 1.00 0.00 C ATOM 875 O TRP A 59 -11.907 -6.674 -2.148 1.00 0.00 O ATOM 876 CB TRP A 59 -11.247 -7.054 0.990 1.00 0.00 C ATOM 877 CG TRP A 59 -11.199 -6.095 2.181 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.248 -6.396 3.486 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.090 -4.657 2.123 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.179 -5.263 4.270 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.080 -4.171 3.415 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.003 -3.795 1.016 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.984 -2.808 3.721 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.908 -2.436 1.339 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.896 -1.931 2.634 1.00 0.00 C ATOM 0 H TRP A 59 -13.371 -8.155 1.645 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.772 -5.886 0.136 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.148 -8.076 1.356 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.388 -6.861 0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.331 -7.400 3.875 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.197 -5.232 5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.009 -4.153 -0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.978 -2.453 4.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.839 -1.730 0.524 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.819 -0.867 2.801 1.00 0.00 H new ATOM 896 N TYR A 60 -12.682 -8.695 -1.496 1.00 0.00 N ATOM 897 CA TYR A 60 -12.560 -9.292 -2.815 1.00 0.00 C ATOM 898 C TYR A 60 -13.770 -8.947 -3.686 1.00 0.00 C ATOM 899 O TYR A 60 -13.615 -8.442 -4.797 1.00 0.00 O ATOM 900 CB TYR A 60 -12.522 -10.805 -2.592 1.00 0.00 C ATOM 901 CG TYR A 60 -12.097 -11.605 -3.825 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.026 -11.923 -4.795 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.786 -12.009 -3.967 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.627 -12.676 -5.956 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.386 -12.762 -5.128 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.326 -13.058 -6.065 1.00 0.00 C ATOM 907 OH TYR A 60 -10.948 -13.770 -7.161 1.00 0.00 O ATOM 0 H TYR A 60 -13.043 -9.321 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.669 -8.922 -3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.835 -11.024 -1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.510 -11.140 -2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.053 -11.607 -4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.059 -11.761 -3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.344 -12.931 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.363 -13.084 -5.252 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.511 -13.520 -7.923 1.00 0.00 H new ATOM 917 N GLU A 61 -14.946 -9.234 -3.149 1.00 0.00 N ATOM 918 CA GLU A 61 -16.182 -8.960 -3.864 1.00 0.00 C ATOM 919 C GLU A 61 -16.210 -7.506 -4.339 1.00 0.00 C ATOM 920 O GLU A 61 -16.961 -7.161 -5.249 1.00 0.00 O ATOM 921 CB GLU A 61 -17.400 -9.276 -2.994 1.00 0.00 C ATOM 922 CG GLU A 61 -17.580 -10.787 -2.830 1.00 0.00 C ATOM 923 CD GLU A 61 -19.061 -11.170 -2.873 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.706 -11.062 -1.808 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.514 -11.563 -3.969 1.00 0.00 O ATOM 0 H GLU A 61 -15.070 -9.653 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.224 -9.608 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.282 -8.812 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.295 -8.846 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.042 -11.309 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.145 -11.108 -1.884 1.00 0.00 H new ATOM 932 N ARG A 62 -15.381 -6.693 -3.700 1.00 0.00 N ATOM 933 CA ARG A 62 -15.301 -5.284 -4.046 1.00 0.00 C ATOM 934 C ARG A 62 -14.072 -5.020 -4.919 1.00 0.00 C ATOM 935 O ARG A 62 -14.094 -4.141 -5.779 1.00 0.00 O ATOM 936 CB ARG A 62 -15.223 -4.412 -2.791 1.00 0.00 C ATOM 937 CG ARG A 62 -13.866 -4.565 -2.101 1.00 0.00 C ATOM 938 CD ARG A 62 -13.715 -3.558 -0.959 1.00 0.00 C ATOM 939 NE ARG A 62 -14.412 -2.298 -1.300 1.00 0.00 N ATOM 940 CZ ARG A 62 -15.713 -2.073 -1.070 1.00 0.00 C ATOM 941 NH1 ARG A 62 -16.466 -3.021 -0.497 1.00 0.00 N ATOM 942 NH2 ARG A 62 -16.261 -0.899 -1.412 1.00 0.00 N ATOM 0 H ARG A 62 -14.759 -6.983 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.205 -5.027 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.383 -3.368 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.019 -4.690 -2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.764 -5.578 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.066 -4.419 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.127 -3.974 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.659 -3.361 -0.774 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.868 -1.554 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.049 -3.915 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.456 -2.849 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.688 -0.176 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.251 -0.728 -1.237 1.00 0.00 H new ATOM 956 N TYR A 63 -13.030 -5.799 -4.668 1.00 0.00 N ATOM 957 CA TYR A 63 -11.795 -5.660 -5.421 1.00 0.00 C ATOM 958 C TYR A 63 -11.239 -7.029 -5.819 1.00 0.00 C ATOM 959 O TYR A 63 -10.277 -7.510 -5.223 1.00 0.00 O ATOM 960 CB TYR A 63 -10.802 -4.975 -4.479 1.00 0.00 C ATOM 961 CG TYR A 63 -11.158 -3.524 -4.149 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.499 -2.650 -5.160 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.138 -3.091 -2.839 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.834 -1.284 -4.849 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.473 -1.725 -2.528 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.805 -0.889 -3.548 1.00 0.00 C ATOM 967 OH TYR A 63 -12.121 0.400 -3.254 1.00 0.00 O ATOM 0 H TYR A 63 -13.015 -6.528 -3.955 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.965 -5.092 -6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.745 -5.544 -3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.810 -5.001 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.515 -2.990 -6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.871 -3.776 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.102 -0.589 -5.631 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.461 -1.372 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.059 0.539 -2.286 1.00 0.00 H new ATOM 977 N LYS A 64 -11.870 -7.618 -6.825 1.00 0.00 N ATOM 978 CA LYS A 64 -11.451 -8.922 -7.310 1.00 0.00 C ATOM 979 C LYS A 64 -10.915 -8.783 -8.736 1.00 0.00 C ATOM 980 O LYS A 64 -10.472 -9.761 -9.336 1.00 0.00 O ATOM 981 CB LYS A 64 -12.591 -9.934 -7.178 1.00 0.00 C ATOM 982 CG LYS A 64 -13.784 -9.532 -8.047 1.00 0.00 C ATOM 983 CD LYS A 64 -15.030 -10.339 -7.674 1.00 0.00 C ATOM 984 CE LYS A 64 -16.297 -9.496 -7.833 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.320 -9.907 -6.846 1.00 0.00 N ATOM 0 H LYS A 64 -12.668 -7.216 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.637 -9.312 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.240 -10.923 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.902 -10.003 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.985 -8.468 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.544 -9.692 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.097 -11.225 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.947 -10.687 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.058 -8.441 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.691 -9.609 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.212 -10.117 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.994 -10.756 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.473 -9.137 -6.164 1.00 0.00 H new ATOM 999 N PHE A 65 -10.971 -7.558 -9.239 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.497 -7.277 -10.583 1.00 0.00 C ATOM 1001 C PHE A 65 -9.752 -5.942 -10.634 1.00 0.00 C ATOM 1002 O PHE A 65 -9.526 -5.394 -11.712 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.730 -7.195 -11.485 1.00 0.00 C ATOM 1004 CG PHE A 65 -12.992 -6.710 -10.770 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.103 -5.407 -10.395 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.004 -7.581 -10.509 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.275 -4.957 -9.731 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.175 -7.130 -9.845 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.286 -5.828 -9.470 1.00 0.00 C ATOM 0 H PHE A 65 -11.338 -6.748 -8.739 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.809 -8.059 -10.905 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.515 -6.524 -12.317 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.922 -8.180 -11.911 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.300 -4.715 -10.602 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -13.917 -8.615 -10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.363 -3.923 -9.433 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -15.978 -7.822 -9.638 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.177 -5.486 -8.965 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.391 -5.456 -9.455 1.00 0.00 N ATOM 1020 CA ASP A 66 -8.677 -4.195 -9.352 1.00 0.00 C ATOM 1021 C ASP A 66 -7.313 -4.438 -8.702 1.00 0.00 C ATOM 1022 O ASP A 66 -6.308 -3.873 -9.130 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.443 -3.197 -8.483 1.00 0.00 C ATOM 1024 CG ASP A 66 -10.965 -3.357 -8.504 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.417 -4.513 -8.355 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -11.642 -2.319 -8.668 1.00 0.00 O ATOM 0 H ASP A 66 -9.580 -5.913 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.567 -3.787 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.097 -3.293 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.194 -2.187 -8.810 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.322 -5.280 -7.679 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.099 -5.605 -6.966 1.00 0.00 C ATOM 1033 C ILE A 67 -4.936 -5.668 -7.959 1.00 0.00 C ATOM 1034 O ILE A 67 -5.142 -5.916 -9.146 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.279 -6.885 -6.148 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -6.973 -7.970 -6.974 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -7.017 -6.600 -4.839 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.553 -9.060 -6.070 1.00 0.00 C ATOM 0 H ILE A 67 -8.158 -5.747 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.860 -4.824 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.292 -7.264 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.770 -7.525 -7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.262 -8.412 -7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.132 -7.527 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.445 -5.885 -4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.001 -6.185 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.041 -9.819 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.750 -9.520 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.282 -8.619 -5.390 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.709 -5.434 -7.423 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.553 -5.149 -6.007 1.00 0.00 C ATOM 1052 C PRO A 68 -4.005 -3.723 -5.682 1.00 0.00 C ATOM 1053 O PRO A 68 -3.593 -2.772 -6.343 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.079 -5.385 -5.717 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.378 -5.342 -7.065 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.441 -5.435 -8.147 1.00 0.00 C ATOM 0 HA PRO A 68 -4.176 -5.786 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.685 -4.620 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.926 -6.347 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.807 -4.419 -7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.670 -6.166 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.378 -4.593 -8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.324 -6.342 -8.740 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.845 -3.621 -4.663 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.357 -2.328 -4.242 1.00 0.00 C ATOM 1066 C VAL A 69 -4.521 -1.810 -3.070 1.00 0.00 C ATOM 1067 O VAL A 69 -4.235 -2.552 -2.131 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.847 -2.438 -3.911 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.375 -1.129 -3.320 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.654 -2.848 -5.144 1.00 0.00 C ATOM 0 H VAL A 69 -5.184 -4.413 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.270 -1.601 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.966 -3.218 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.436 -1.234 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.830 -0.897 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.236 -0.322 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.709 -2.919 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.525 -2.102 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.304 -3.816 -5.503 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.153 -0.541 -3.163 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.355 0.085 -2.122 1.00 0.00 C ATOM 1082 C PHE A 70 -4.127 1.223 -1.450 1.00 0.00 C ATOM 1083 O PHE A 70 -4.521 2.184 -2.108 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.109 0.660 -2.798 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.232 -0.391 -3.482 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.474 -0.742 -4.774 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.211 -0.974 -2.799 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.660 -1.716 -5.409 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.603 -1.949 -3.434 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.361 -2.300 -4.726 1.00 0.00 C ATOM 0 H PHE A 70 -4.392 0.071 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.101 -0.648 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.418 1.398 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.513 1.186 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.285 -0.280 -5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.019 -0.695 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.851 -1.994 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.414 -2.412 -2.891 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.979 -3.042 -5.209 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.319 1.076 -0.147 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.036 2.079 0.622 1.00 0.00 C ATOM 1102 C HIS A 71 -4.087 2.726 1.632 1.00 0.00 C ATOM 1103 O HIS A 71 -3.575 2.055 2.527 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.279 1.475 1.278 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.329 1.013 0.296 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.562 0.525 0.691 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.317 0.971 -1.067 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.253 0.206 -0.393 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.479 0.482 -1.482 1.00 0.00 N ATOM 0 H HIS A 71 -3.990 0.277 0.396 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.394 2.865 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.977 0.629 1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.721 2.215 1.945 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.884 0.427 1.654 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.500 1.283 -1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.253 -0.201 -0.412 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.881 4.023 1.456 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.003 4.769 2.342 1.00 0.00 C ATOM 1119 C LEU A 72 -3.847 5.588 3.319 1.00 0.00 C ATOM 1120 O LEU A 72 -4.629 6.443 2.905 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.012 5.608 1.532 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.546 5.510 1.958 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.265 6.684 1.405 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.423 5.394 3.478 1.00 0.00 C ATOM 0 H LEU A 72 -4.307 4.577 0.713 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.396 4.088 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.086 5.312 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.318 6.653 1.591 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.126 4.599 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.304 6.590 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.216 6.679 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.147 7.620 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.629 5.326 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.865 6.273 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.946 4.500 3.818 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.661 5.299 4.599 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.396 5.999 5.639 1.00 0.00 C ATOM 1138 C ASN A 73 -5.893 5.728 5.470 1.00 0.00 C ATOM 1139 O ASN A 73 -6.692 6.661 5.406 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.176 7.510 5.548 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.957 7.936 6.369 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.017 8.103 7.576 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.851 8.103 5.650 1.00 0.00 N ATOM 0 H ASN A 73 -3.012 4.590 4.939 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.038 5.640 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.037 7.799 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.062 8.033 5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.984 8.388 6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.869 7.946 4.642 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.226 4.448 5.401 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.613 4.043 5.240 1.00 0.00 C ATOM 1152 C GLY A 74 -8.280 4.814 4.099 1.00 0.00 C ATOM 1153 O GLY A 74 -9.428 5.237 4.220 1.00 0.00 O ATOM 0 H GLY A 74 -5.560 3.677 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.662 2.973 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.157 4.218 6.168 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.531 4.973 3.018 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.036 5.685 1.856 1.00 0.00 C ATOM 1159 C GLN A 75 -7.307 5.223 0.592 1.00 0.00 C ATOM 1160 O GLN A 75 -6.088 5.346 0.494 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.906 7.198 2.041 1.00 0.00 C ATOM 1162 CG GLN A 75 -8.648 7.952 0.936 1.00 0.00 C ATOM 1163 CD GLN A 75 -10.163 7.858 1.131 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -10.672 7.824 2.239 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.853 7.818 -0.006 1.00 0.00 N ATOM 0 H GLN A 75 -6.578 4.621 2.922 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.096 5.455 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.306 7.485 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.853 7.480 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.342 8.998 0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.376 7.540 -0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.364 7.850 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.871 7.755 0.017 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.086 4.701 -0.344 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.531 4.220 -1.597 1.00 0.00 C ATOM 1176 C PHE A 76 -6.467 5.181 -2.130 1.00 0.00 C ATOM 1177 O PHE A 76 -6.777 6.312 -2.503 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.684 4.148 -2.600 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.272 4.438 -4.044 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.426 3.594 -4.693 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.752 5.541 -4.680 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.044 3.863 -6.034 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.370 5.810 -6.020 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.524 4.966 -6.669 1.00 0.00 C ATOM 0 H PHE A 76 -9.098 4.601 -0.259 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.062 3.248 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.131 3.155 -2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.455 4.859 -2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.044 2.719 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.424 6.212 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.373 3.192 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.751 6.685 -6.525 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.233 5.171 -7.689 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.233 4.697 -2.149 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.122 5.499 -2.630 1.00 0.00 C ATOM 1196 C LEU A 77 -3.944 5.268 -4.132 1.00 0.00 C ATOM 1197 O LEU A 77 -3.735 6.215 -4.889 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.861 5.214 -1.811 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.623 4.798 -2.607 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -0.936 6.015 -3.229 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.664 3.978 -1.741 1.00 0.00 C ATOM 0 H LEU A 77 -4.979 3.759 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.331 6.560 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.616 6.107 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.089 4.426 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.944 4.156 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.059 5.691 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.630 6.520 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.629 6.702 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.208 3.695 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.345 4.574 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.170 3.080 -1.388 1.00 0.00 H new ATOM 1213 N MET A 78 -4.033 4.004 -4.519 1.00 0.00 N ATOM 1214 CA MET A 78 -3.885 3.636 -5.916 1.00 0.00 C ATOM 1215 C MET A 78 -4.095 2.134 -6.114 1.00 0.00 C ATOM 1216 O MET A 78 -3.781 1.338 -5.230 1.00 0.00 O ATOM 1217 CB MET A 78 -2.486 4.024 -6.401 1.00 0.00 C ATOM 1218 CG MET A 78 -1.441 3.013 -5.924 1.00 0.00 C ATOM 1219 SD MET A 78 0.200 3.616 -6.283 1.00 0.00 S ATOM 1220 CE MET A 78 1.146 2.658 -5.111 1.00 0.00 C ATOM 0 H MET A 78 -4.206 3.221 -3.888 1.00 0.00 H new ATOM 0 HA MET A 78 -4.641 4.168 -6.494 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.476 4.077 -7.490 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.231 5.017 -6.032 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.549 2.844 -4.853 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.600 2.053 -6.416 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.210 2.777 -5.318 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.932 3.005 -4.100 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.875 1.606 -5.198 1.00 0.00 H new ATOM 1230 N MET A 79 -4.625 1.791 -7.279 1.00 0.00 N ATOM 1231 CA MET A 79 -4.881 0.398 -7.603 1.00 0.00 C ATOM 1232 C MET A 79 -4.649 0.130 -9.092 1.00 0.00 C ATOM 1233 O MET A 79 -4.628 1.059 -9.897 1.00 0.00 O ATOM 1234 CB MET A 79 -6.326 0.046 -7.241 1.00 0.00 C ATOM 1235 CG MET A 79 -7.315 0.875 -8.062 1.00 0.00 C ATOM 1236 SD MET A 79 -8.980 0.298 -7.777 1.00 0.00 S ATOM 1237 CE MET A 79 -9.725 1.796 -7.157 1.00 0.00 C ATOM 0 H MET A 79 -4.884 2.454 -8.010 1.00 0.00 H new ATOM 0 HA MET A 79 -4.192 -0.221 -7.029 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.501 -1.015 -7.418 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.492 0.223 -6.178 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.234 1.927 -7.789 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.072 0.801 -9.122 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.810 1.692 -7.162 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.382 1.978 -6.138 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.438 2.635 -7.792 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.480 -1.145 -9.411 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.250 -1.547 -10.789 1.00 0.00 C ATOM 1249 C HIS A 80 -2.750 -1.514 -11.089 1.00 0.00 C ATOM 1250 O HIS A 80 -2.340 -1.652 -12.240 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.066 -0.681 -11.751 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.484 -0.430 -11.299 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.192 0.707 -11.647 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.319 -1.182 -10.526 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.397 0.633 -11.101 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.474 -0.539 -10.406 1.00 0.00 N ATOM 0 H HIS A 80 -4.498 -1.913 -8.740 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.592 -2.571 -10.935 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.561 0.277 -11.879 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.087 -1.163 -12.728 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.845 1.472 -12.226 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.081 -2.139 -10.086 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.181 1.371 -11.190 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.971 -1.332 -10.032 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.526 -1.280 -10.168 1.00 0.00 C ATOM 1266 C ARG A 81 0.099 -0.613 -8.941 1.00 0.00 C ATOM 1267 O ARG A 81 -0.571 -0.414 -7.929 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.118 -0.507 -11.424 1.00 0.00 C ATOM 1269 CG ARG A 81 0.458 -1.447 -12.484 1.00 0.00 C ATOM 1270 CD ARG A 81 0.440 -0.792 -13.866 1.00 0.00 C ATOM 1271 NE ARG A 81 1.454 -1.425 -14.740 1.00 0.00 N ATOM 1272 CZ ARG A 81 1.341 -2.659 -15.249 1.00 0.00 C ATOM 1273 NH1 ARG A 81 0.259 -3.401 -14.976 1.00 0.00 N ATOM 1274 NH2 ARG A 81 2.311 -3.152 -16.032 1.00 0.00 N ATOM 0 H ARG A 81 -2.314 -1.219 -9.078 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.164 -2.305 -10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.983 0.017 -11.830 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.621 0.251 -11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.480 -1.717 -12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.120 -2.371 -12.508 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.550 -0.892 -14.312 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.642 0.275 -13.774 1.00 0.00 H new ATOM 0 HE ARG A 81 2.291 -0.888 -14.969 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.479 -3.026 -14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.174 -4.340 -15.364 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.135 -2.588 -16.240 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.225 -4.092 -16.420 1.00 0.00 H new ATOM 1288 N VAL A 82 1.376 -0.285 -9.071 1.00 0.00 N ATOM 1289 CA VAL A 82 2.099 0.355 -7.986 1.00 0.00 C ATOM 1290 C VAL A 82 2.857 1.569 -8.529 1.00 0.00 C ATOM 1291 O VAL A 82 4.056 1.490 -8.789 1.00 0.00 O ATOM 1292 CB VAL A 82 3.012 -0.659 -7.294 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.642 -0.061 -6.035 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.253 -1.947 -6.969 1.00 0.00 C ATOM 0 H VAL A 82 1.929 -0.451 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 82 1.405 0.717 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 82 3.818 -0.910 -7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.286 -0.803 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.233 0.814 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.856 0.233 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.925 -2.651 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.418 -1.720 -6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.875 -2.389 -7.891 1.00 0.00 H new ATOM 1304 N ASN A 83 2.125 2.662 -8.685 1.00 0.00 N ATOM 1305 CA ASN A 83 2.713 3.890 -9.192 1.00 0.00 C ATOM 1306 C ASN A 83 3.452 4.603 -8.059 1.00 0.00 C ATOM 1307 O ASN A 83 2.945 5.571 -7.494 1.00 0.00 O ATOM 1308 CB ASN A 83 1.635 4.838 -9.724 1.00 0.00 C ATOM 1309 CG ASN A 83 1.560 4.781 -11.251 1.00 0.00 C ATOM 1310 OD1 ASN A 83 2.097 3.892 -11.892 1.00 0.00 O ATOM 1311 ND2 ASN A 83 0.866 5.776 -11.796 1.00 0.00 N ATOM 0 H ASN A 83 1.130 2.723 -8.469 1.00 0.00 H new ATOM 0 HA ASN A 83 3.395 3.628 -10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.668 4.570 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.852 5.857 -9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.758 5.827 -12.809 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.442 6.488 -11.201 1.00 0.00 H new ATOM 1318 N THR A 84 4.639 4.097 -7.759 1.00 0.00 N ATOM 1319 CA THR A 84 5.454 4.674 -6.703 1.00 0.00 C ATOM 1320 C THR A 84 5.296 6.195 -6.678 1.00 0.00 C ATOM 1321 O THR A 84 5.006 6.776 -5.633 1.00 0.00 O ATOM 1322 CB THR A 84 6.898 4.216 -6.916 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.243 4.741 -8.195 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.012 2.701 -7.092 1.00 0.00 C ATOM 0 H THR A 84 5.056 3.294 -8.229 1.00 0.00 H new ATOM 0 HA THR A 84 5.130 4.329 -5.721 1.00 0.00 H new ATOM 0 HB THR A 84 7.507 4.529 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.166 4.493 -8.413 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.057 2.430 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.630 2.202 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.430 2.391 -7.960 1.00 0.00 H new ATOM 1332 N SER A 85 5.494 6.798 -7.841 1.00 0.00 N ATOM 1333 CA SER A 85 5.377 8.241 -7.966 1.00 0.00 C ATOM 1334 C SER A 85 4.225 8.750 -7.098 1.00 0.00 C ATOM 1335 O SER A 85 4.367 9.749 -6.395 1.00 0.00 O ATOM 1336 CB SER A 85 5.164 8.652 -9.425 1.00 0.00 C ATOM 1337 OG SER A 85 6.168 9.555 -9.877 1.00 0.00 O ATOM 0 H SER A 85 5.735 6.313 -8.706 1.00 0.00 H new ATOM 0 HA SER A 85 6.309 8.691 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.165 7.763 -10.056 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.184 9.117 -9.531 1.00 0.00 H new ATOM 0 HG SER A 85 5.998 9.792 -10.813 1.00 0.00 H new ATOM 1343 N LYS A 86 3.109 8.039 -7.174 1.00 0.00 N ATOM 1344 CA LYS A 86 1.933 8.406 -6.404 1.00 0.00 C ATOM 1345 C LYS A 86 2.215 8.186 -4.916 1.00 0.00 C ATOM 1346 O LYS A 86 2.199 9.133 -4.131 1.00 0.00 O ATOM 1347 CB LYS A 86 0.702 7.656 -6.915 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.494 8.599 -7.060 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.222 8.360 -8.384 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.371 7.365 -8.207 1.00 0.00 C ATOM 1351 NZ LYS A 86 -2.376 6.378 -9.310 1.00 0.00 N ATOM 0 H LYS A 86 2.995 7.210 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 86 1.708 9.465 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.926 7.196 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.452 6.849 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.183 8.448 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.154 9.634 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.610 9.305 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.519 7.981 -9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.271 6.851 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.321 7.898 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.162 5.710 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.494 6.872 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.476 5.857 -9.314 1.00 0.00 H new ATOM 1365 N LEU A 87 2.466 6.931 -4.574 1.00 0.00 N ATOM 1366 CA LEU A 87 2.750 6.574 -3.194 1.00 0.00 C ATOM 1367 C LEU A 87 3.670 7.630 -2.578 1.00 0.00 C ATOM 1368 O LEU A 87 3.264 8.363 -1.678 1.00 0.00 O ATOM 1369 CB LEU A 87 3.306 5.151 -3.112 1.00 0.00 C ATOM 1370 CG LEU A 87 4.098 4.812 -1.848 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.188 4.800 -0.618 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.856 3.494 -2.013 1.00 0.00 C ATOM 0 H LEU A 87 2.479 6.149 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 87 1.832 6.567 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.474 4.452 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.949 4.983 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 87 4.842 5.593 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.776 4.556 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.733 5.783 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.406 4.053 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.411 3.277 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.148 2.689 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.551 3.576 -2.849 1.00 0.00 H new ATOM 1384 N GLU A 88 4.892 7.674 -3.088 1.00 0.00 N ATOM 1385 CA GLU A 88 5.873 8.628 -2.599 1.00 0.00 C ATOM 1386 C GLU A 88 5.218 9.991 -2.365 1.00 0.00 C ATOM 1387 O GLU A 88 5.339 10.565 -1.284 1.00 0.00 O ATOM 1388 CB GLU A 88 7.052 8.746 -3.567 1.00 0.00 C ATOM 1389 CG GLU A 88 7.501 7.368 -4.056 1.00 0.00 C ATOM 1390 CD GLU A 88 9.027 7.280 -4.125 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.642 7.229 -3.038 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.543 7.266 -5.263 1.00 0.00 O ATOM 0 H GLU A 88 5.225 7.064 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 88 6.261 8.265 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.767 9.363 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.883 9.249 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.119 6.598 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.077 7.172 -5.041 1.00 0.00 H new ATOM 1399 N LYS A 89 4.537 10.469 -3.396 1.00 0.00 N ATOM 1400 CA LYS A 89 3.862 11.754 -3.316 1.00 0.00 C ATOM 1401 C LYS A 89 3.009 11.799 -2.047 1.00 0.00 C ATOM 1402 O LYS A 89 3.141 12.716 -1.238 1.00 0.00 O ATOM 1403 CB LYS A 89 3.072 12.025 -4.598 1.00 0.00 C ATOM 1404 CG LYS A 89 2.916 13.528 -4.839 1.00 0.00 C ATOM 1405 CD LYS A 89 1.677 14.071 -4.125 1.00 0.00 C ATOM 1406 CE LYS A 89 0.934 15.078 -5.005 1.00 0.00 C ATOM 1407 NZ LYS A 89 0.008 15.895 -4.190 1.00 0.00 N ATOM 0 H LYS A 89 4.438 9.990 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 89 4.589 12.562 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.581 11.568 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.088 11.560 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.804 14.051 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.838 13.722 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.011 13.247 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.971 14.548 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.650 15.725 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.377 14.551 -5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.488 16.573 -4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.686 15.275 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.547 16.412 -3.466 1.00 0.00 H new ATOM 1421 N GLN A 90 2.152 10.797 -1.913 1.00 0.00 N ATOM 1422 CA GLN A 90 1.278 10.710 -0.756 1.00 0.00 C ATOM 1423 C GLN A 90 2.103 10.658 0.531 1.00 0.00 C ATOM 1424 O GLN A 90 1.838 11.404 1.473 1.00 0.00 O ATOM 1425 CB GLN A 90 0.349 9.499 -0.860 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.647 9.669 -2.009 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.493 10.930 -1.819 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.564 10.907 -1.235 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.955 12.027 -2.344 1.00 0.00 N ATOM 0 H GLN A 90 2.045 10.039 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 90 0.655 11.604 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.939 8.596 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.191 9.369 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.109 9.727 -2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.297 8.796 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.054 11.976 -2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.443 12.920 -2.271 1.00 0.00 H new ATOM 1438 N LEU A 91 3.088 9.771 0.530 1.00 0.00 N ATOM 1439 CA LEU A 91 3.954 9.613 1.686 1.00 0.00 C ATOM 1440 C LEU A 91 4.288 10.991 2.260 1.00 0.00 C ATOM 1441 O LEU A 91 4.244 11.189 3.474 1.00 0.00 O ATOM 1442 CB LEU A 91 5.186 8.783 1.322 1.00 0.00 C ATOM 1443 CG LEU A 91 5.039 7.266 1.460 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.201 6.538 0.782 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.888 6.862 2.928 1.00 0.00 C ATOM 0 H LEU A 91 3.305 9.155 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 91 3.443 9.056 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.460 9.009 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.016 9.106 1.951 1.00 0.00 H new ATOM 0 HG LEU A 91 4.127 6.963 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.072 5.462 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.221 6.792 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.140 6.841 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.785 5.779 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.769 7.180 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.002 7.339 3.347 1.00 0.00 H new ATOM 1457 N ARG A 92 4.614 11.908 1.362 1.00 0.00 N ATOM 1458 CA ARG A 92 4.956 13.262 1.764 1.00 0.00 C ATOM 1459 C ARG A 92 3.686 14.066 2.052 1.00 0.00 C ATOM 1460 O ARG A 92 3.670 14.906 2.950 1.00 0.00 O ATOM 1461 CB ARG A 92 5.766 13.972 0.677 1.00 0.00 C ATOM 1462 CG ARG A 92 4.925 15.041 -0.023 1.00 0.00 C ATOM 1463 CD ARG A 92 5.730 15.740 -1.120 1.00 0.00 C ATOM 1464 NE ARG A 92 5.060 16.999 -1.515 1.00 0.00 N ATOM 1465 CZ ARG A 92 4.944 18.071 -0.719 1.00 0.00 C ATOM 1466 NH1 ARG A 92 5.453 18.042 0.520 1.00 0.00 N ATOM 1467 NH2 ARG A 92 4.320 19.171 -1.162 1.00 0.00 N ATOM 0 H ARG A 92 4.649 11.740 0.356 1.00 0.00 H new ATOM 0 HA ARG A 92 5.562 13.197 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.650 14.431 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.117 13.244 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 92 4.035 14.583 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.583 15.775 0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.738 15.951 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.828 15.084 -1.985 1.00 0.00 H new ATOM 0 HE ARG A 92 4.661 17.054 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.928 17.205 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.365 18.857 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.933 19.193 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.232 19.987 -0.556 1.00 0.00 H new ATOM 1481 N LYS A 93 2.654 13.781 1.272 1.00 0.00 N ATOM 1482 CA LYS A 93 1.383 14.467 1.432 1.00 0.00 C ATOM 1483 C LYS A 93 0.407 13.556 2.179 1.00 0.00 C ATOM 1484 O LYS A 93 -0.501 12.986 1.576 1.00 0.00 O ATOM 1485 CB LYS A 93 0.860 14.949 0.077 1.00 0.00 C ATOM 1486 CG LYS A 93 -0.657 15.147 0.114 1.00 0.00 C ATOM 1487 CD LYS A 93 -1.074 16.343 -0.744 1.00 0.00 C ATOM 1488 CE LYS A 93 -2.179 17.150 -0.060 1.00 0.00 C ATOM 1489 NZ LYS A 93 -2.798 18.096 -1.015 1.00 0.00 N ATOM 0 H LYS A 93 2.672 13.084 0.527 1.00 0.00 H new ATOM 0 HA LYS A 93 1.508 15.365 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.346 15.887 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.117 14.224 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.154 14.246 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.982 15.302 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.211 16.983 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.422 15.994 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.938 16.475 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.766 17.698 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.546 18.635 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.074 18.751 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.210 17.567 -1.810 1.00 0.00 H new ATOM 1503 N LEU A 94 0.627 13.448 3.481 1.00 0.00 N ATOM 1504 CA LEU A 94 -0.222 12.616 4.317 1.00 0.00 C ATOM 1505 C LEU A 94 -0.371 13.269 5.693 1.00 0.00 C ATOM 1506 O LEU A 94 -1.483 13.574 6.122 1.00 0.00 O ATOM 1507 CB LEU A 94 0.316 11.185 4.371 1.00 0.00 C ATOM 1508 CG LEU A 94 -0.286 10.204 3.362 1.00 0.00 C ATOM 1509 CD1 LEU A 94 0.220 8.782 3.612 1.00 0.00 C ATOM 1510 CD2 LEU A 94 -1.814 10.279 3.371 1.00 0.00 C ATOM 0 H LEU A 94 1.381 13.923 3.978 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.222 12.540 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.395 11.217 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.149 10.792 5.374 1.00 0.00 H new ATOM 0 HG LEU A 94 0.045 10.492 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.223 8.105 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.306 8.760 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.062 8.467 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.217 9.572 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.185 10.030 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.130 11.289 3.109 1.00 0.00 H new ATOM 1522 N SER A 95 0.764 13.463 6.347 1.00 0.00 N ATOM 1523 CA SER A 95 0.773 14.074 7.666 1.00 0.00 C ATOM 1524 C SER A 95 -0.103 13.264 8.623 1.00 0.00 C ATOM 1525 O SER A 95 -0.889 12.423 8.190 1.00 0.00 O ATOM 1526 CB SER A 95 0.292 15.525 7.604 1.00 0.00 C ATOM 1527 OG SER A 95 0.713 16.275 8.740 1.00 0.00 O ATOM 0 H SER A 95 1.684 13.208 5.989 1.00 0.00 H new ATOM 0 HA SER A 95 1.798 14.076 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.673 15.995 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.796 15.544 7.540 1.00 0.00 H new ATOM 0 HG SER A 95 0.388 17.196 8.663 1.00 0.00 H new ATOM 1533 N GLY A 96 0.062 13.546 9.908 1.00 0.00 N ATOM 1534 CA GLY A 96 -0.704 12.854 10.930 1.00 0.00 C ATOM 1535 C GLY A 96 -2.166 12.698 10.508 1.00 0.00 C ATOM 1536 O GLY A 96 -2.777 13.643 10.009 1.00 0.00 O ATOM 0 H GLY A 96 0.715 14.244 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.268 11.872 11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.649 13.407 11.867 1.00 0.00 H new ATOM 1540 N PRO A 97 -2.700 11.467 10.728 1.00 0.00 N ATOM 1541 CA PRO A 97 -4.079 11.175 10.376 1.00 0.00 C ATOM 1542 C PRO A 97 -5.047 11.811 11.376 1.00 0.00 C ATOM 1543 O PRO A 97 -5.798 12.720 11.026 1.00 0.00 O ATOM 1544 CB PRO A 97 -4.166 9.658 10.349 1.00 0.00 C ATOM 1545 CG PRO A 97 -2.965 9.158 11.136 1.00 0.00 C ATOM 1546 CD PRO A 97 -2.007 10.324 11.316 1.00 0.00 C ATOM 0 HA PRO A 97 -4.364 11.594 9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.098 9.312 10.797 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.146 9.284 9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.279 8.769 12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.476 8.340 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.785 10.495 12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.057 10.137 10.816 1.00 0.00 H new ATOM 1554 N SER A 98 -4.997 11.308 12.601 1.00 0.00 N ATOM 1555 CA SER A 98 -5.860 11.816 13.654 1.00 0.00 C ATOM 1556 C SER A 98 -5.024 12.537 14.713 1.00 0.00 C ATOM 1557 O SER A 98 -4.328 11.898 15.500 1.00 0.00 O ATOM 1558 CB SER A 98 -6.671 10.688 14.294 1.00 0.00 C ATOM 1559 OG SER A 98 -7.753 11.185 15.076 1.00 0.00 O ATOM 0 H SER A 98 -4.372 10.554 12.888 1.00 0.00 H new ATOM 0 HA SER A 98 -6.561 12.523 13.211 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.059 10.033 13.514 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.017 10.083 14.923 1.00 0.00 H new ATOM 0 HG SER A 98 -8.247 10.434 15.466 1.00 0.00 H new ATOM 1565 N SER A 99 -5.120 13.858 14.699 1.00 0.00 N ATOM 1566 CA SER A 99 -4.381 14.673 15.649 1.00 0.00 C ATOM 1567 C SER A 99 -4.933 16.100 15.654 1.00 0.00 C ATOM 1568 O SER A 99 -5.249 16.651 14.601 1.00 0.00 O ATOM 1569 CB SER A 99 -2.887 14.682 15.321 1.00 0.00 C ATOM 1570 OG SER A 99 -2.642 15.011 13.956 1.00 0.00 O ATOM 0 H SER A 99 -5.698 14.385 14.045 1.00 0.00 H new ATOM 0 HA SER A 99 -4.504 14.239 16.641 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.379 15.401 15.964 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.462 13.702 15.540 1.00 0.00 H new ATOM 0 HG SER A 99 -1.677 15.008 13.787 1.00 0.00 H new ATOM 1576 N GLY A 100 -5.031 16.657 16.852 1.00 0.00 N ATOM 1577 CA GLY A 100 -5.539 18.010 17.009 1.00 0.00 C ATOM 1578 C GLY A 100 -6.657 18.058 18.052 1.00 0.00 C ATOM 1579 O GLY A 100 -7.710 18.647 17.812 1.00 0.00 O ATOM 0 H GLY A 100 -4.767 16.196 17.723 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.728 18.674 17.309 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.913 18.375 16.053 1.00 0.00 H new TER 1583 GLY A 100