USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 920 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 50 CYS SG : rot 170:sc= -0.243 USER MOD Set 1.2: A 65 GLN : amide:sc= -1.1 K(o=-1.3,f=-0.24) USER MOD Set 2.1: A 25 GLN : amide:sc= 0.0726 K(o=0.7,f=-0.064) USER MOD Set 2.2: A 58 SER OG : rot -110:sc= 0.626 USER MOD Single : A 3 TYR OH : rot -142:sc= 1.18 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00257) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 2.42 (180deg=2.29) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0.94 (180deg=0.922) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1 (180deg=0.514) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc=-0.00601 (180deg=-0.165) USER MOD Single : A 47 MET CE :methyl -154:sc= 0 (180deg=-0.357) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 0.447! (180deg=0.109!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 163:sc= 0.048 USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 0.0562 (180deg=-0.141) USER MOD Single : A 77 SER OG : rot 150:sc= -0.0766 USER MOD Single : A 80 LYS NZ :NH3+ -106:sc= -0.402 (180deg=-2.19!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.96 K(o=-0.96,f=-5.2!) USER MOD Single : B 70 LYS NZ :NH3+ -165:sc= -0.0608 (180deg=-0.328) USER MOD Single : B 75 THR OG1 : rot -61:sc= 0.87 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.341 12.410 -6.314 1.00 0.00 N ATOM 19 CA ALA A 2 8.776 12.219 -6.235 1.00 0.00 C ATOM 20 C ALA A 2 9.010 10.752 -6.461 1.00 0.00 C ATOM 21 O ALA A 2 9.864 10.339 -7.244 1.00 0.00 O ATOM 22 CB ALA A 2 9.312 12.661 -4.879 1.00 0.00 C ATOM 0 HA ALA A 2 9.299 12.821 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.391 12.507 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.091 13.718 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.838 12.075 -4.092 1.00 0.00 H new ATOM 28 N TYR A 3 8.208 9.974 -5.775 1.00 0.00 N ATOM 29 CA TYR A 3 8.155 8.560 -5.970 1.00 0.00 C ATOM 30 C TYR A 3 7.096 8.264 -6.994 1.00 0.00 C ATOM 31 O TYR A 3 6.079 9.001 -7.086 1.00 0.00 O ATOM 32 CB TYR A 3 7.844 7.832 -4.652 1.00 0.00 C ATOM 33 CG TYR A 3 8.978 7.846 -3.644 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.287 8.991 -2.932 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.740 6.709 -3.416 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.320 9.009 -2.030 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.777 6.715 -2.510 1.00 0.00 C ATOM 38 CZ TYR A 3 11.066 7.869 -1.821 1.00 0.00 C ATOM 39 OH TYR A 3 12.106 7.887 -0.912 1.00 0.00 O ATOM 0 H TYR A 3 7.569 10.317 -5.058 1.00 0.00 H new ATOM 0 HA TYR A 3 9.125 8.204 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.965 8.289 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.586 6.797 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.704 9.887 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.516 5.803 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.548 9.913 -1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.358 5.821 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 3 12.850 7.349 -1.255 1.00 0.00 H new ATOM 49 N PHE A 4 7.345 7.268 -7.796 1.00 0.00 N ATOM 50 CA PHE A 4 6.389 6.822 -8.786 1.00 0.00 C ATOM 51 C PHE A 4 5.365 5.930 -8.099 1.00 0.00 C ATOM 52 O PHE A 4 5.542 5.581 -6.909 1.00 0.00 O ATOM 53 CB PHE A 4 7.099 6.057 -9.911 1.00 0.00 C ATOM 54 CG PHE A 4 8.249 6.818 -10.510 1.00 0.00 C ATOM 55 CD1 PHE A 4 8.060 8.077 -11.052 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.525 6.282 -10.499 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.122 8.783 -11.576 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.589 6.986 -11.019 1.00 0.00 C ATOM 59 CZ PHE A 4 10.386 8.237 -11.559 1.00 0.00 C ATOM 0 H PHE A 4 8.216 6.737 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 4 5.890 7.682 -9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.464 5.107 -9.521 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.378 5.824 -10.695 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.071 8.511 -11.065 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.688 5.301 -10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.963 9.764 -12.000 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.580 6.558 -11.003 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.218 8.790 -11.969 1.00 0.00 H new ATOM 69 N LEU A 5 4.324 5.554 -8.796 1.00 0.00 N ATOM 70 CA LEU A 5 3.318 4.751 -8.194 1.00 0.00 C ATOM 71 C LEU A 5 3.251 3.428 -8.908 1.00 0.00 C ATOM 72 O LEU A 5 3.128 3.384 -10.126 1.00 0.00 O ATOM 73 CB LEU A 5 1.982 5.476 -8.264 1.00 0.00 C ATOM 74 CG LEU A 5 0.781 4.744 -7.701 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.933 4.505 -6.202 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.465 5.526 -7.995 1.00 0.00 C ATOM 0 H LEU A 5 4.160 5.794 -9.774 1.00 0.00 H new ATOM 0 HA LEU A 5 3.556 4.571 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.081 6.424 -7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.778 5.713 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 5 0.710 3.767 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.056 3.978 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.824 3.904 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.028 5.462 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.329 4.999 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.393 6.512 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.580 5.636 -9.073 1.00 0.00 H new ATOM 88 N ASP A 6 3.347 2.375 -8.172 1.00 0.00 N ATOM 89 CA ASP A 6 3.274 1.040 -8.757 1.00 0.00 C ATOM 90 C ASP A 6 2.331 0.191 -7.985 1.00 0.00 C ATOM 91 O ASP A 6 2.243 0.298 -6.770 1.00 0.00 O ATOM 92 CB ASP A 6 4.647 0.334 -8.862 1.00 0.00 C ATOM 93 CG ASP A 6 5.429 0.650 -10.138 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.970 1.763 -10.271 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.554 -0.243 -11.001 1.00 0.00 O ATOM 0 H ASP A 6 3.477 2.391 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 6 2.913 1.175 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.253 0.616 -8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.492 -0.743 -8.804 1.00 0.00 H new ATOM 100 N PHE A 7 1.596 -0.614 -8.677 1.00 0.00 N ATOM 101 CA PHE A 7 0.681 -1.540 -8.056 1.00 0.00 C ATOM 102 C PHE A 7 0.941 -2.931 -8.521 1.00 0.00 C ATOM 103 O PHE A 7 1.201 -3.159 -9.703 1.00 0.00 O ATOM 104 CB PHE A 7 -0.784 -1.186 -8.324 1.00 0.00 C ATOM 105 CG PHE A 7 -1.368 -0.141 -7.417 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.196 1.198 -7.667 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.120 -0.516 -6.318 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.760 2.147 -6.846 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.686 0.430 -5.490 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.504 1.764 -5.756 1.00 0.00 C ATOM 0 H PHE A 7 1.606 -0.656 -9.696 1.00 0.00 H new ATOM 0 HA PHE A 7 0.854 -1.469 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.875 -0.841 -9.354 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.382 -2.093 -8.238 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.610 1.510 -8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.266 -1.565 -6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.618 3.196 -7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.270 0.122 -4.635 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.944 2.510 -5.111 1.00 0.00 H new ATOM 120 N ASP A 8 0.920 -3.835 -7.589 1.00 0.00 N ATOM 121 CA ASP A 8 1.026 -5.256 -7.857 1.00 0.00 C ATOM 122 C ASP A 8 -0.187 -5.724 -8.652 1.00 0.00 C ATOM 123 O ASP A 8 -1.291 -5.162 -8.504 1.00 0.00 O ATOM 124 CB ASP A 8 1.111 -6.017 -6.522 1.00 0.00 C ATOM 125 CG ASP A 8 1.082 -7.516 -6.682 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.133 -8.110 -6.925 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.025 -8.121 -6.584 1.00 0.00 O ATOM 0 H ASP A 8 0.827 -3.612 -6.598 1.00 0.00 H new ATOM 0 HA ASP A 8 1.924 -5.453 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.029 -5.732 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.281 -5.711 -5.885 1.00 0.00 H new ATOM 132 N GLU A 9 0.023 -6.723 -9.488 1.00 0.00 N ATOM 133 CA GLU A 9 -1.012 -7.337 -10.317 1.00 0.00 C ATOM 134 C GLU A 9 -2.287 -7.693 -9.533 1.00 0.00 C ATOM 135 O GLU A 9 -3.396 -7.584 -10.067 1.00 0.00 O ATOM 136 CB GLU A 9 -0.453 -8.580 -10.983 1.00 0.00 C ATOM 137 CG GLU A 9 -0.142 -8.444 -12.467 1.00 0.00 C ATOM 138 CD GLU A 9 -1.396 -8.426 -13.314 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.148 -9.434 -13.289 1.00 0.00 O ATOM 140 OE2 GLU A 9 -1.658 -7.431 -14.030 1.00 0.00 O ATOM 0 H GLU A 9 0.942 -7.146 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.303 -6.598 -11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.460 -8.870 -10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.167 -9.393 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.422 -7.527 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.494 -9.271 -12.781 1.00 0.00 H new ATOM 147 N ARG A 10 -2.150 -8.099 -8.279 1.00 0.00 N ATOM 148 CA ARG A 10 -3.319 -8.433 -7.497 1.00 0.00 C ATOM 149 C ARG A 10 -3.917 -7.196 -6.881 1.00 0.00 C ATOM 150 O ARG A 10 -5.133 -7.043 -6.871 1.00 0.00 O ATOM 151 CB ARG A 10 -3.043 -9.478 -6.412 1.00 0.00 C ATOM 152 CG ARG A 10 -2.545 -10.822 -6.923 1.00 0.00 C ATOM 153 CD ARG A 10 -3.410 -11.355 -8.058 1.00 0.00 C ATOM 154 NE ARG A 10 -4.844 -11.386 -7.731 1.00 0.00 N ATOM 155 CZ ARG A 10 -5.824 -11.468 -8.641 1.00 0.00 C ATOM 156 NH1 ARG A 10 -5.529 -11.612 -9.939 1.00 0.00 N ATOM 157 NH2 ARG A 10 -7.087 -11.417 -8.250 1.00 0.00 N ATOM 0 H ARG A 10 -1.259 -8.202 -7.794 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.031 -8.879 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.305 -9.074 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.959 -9.640 -5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.516 -10.720 -7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.537 -11.541 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.259 -10.736 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.081 -12.362 -8.314 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.110 -11.342 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.555 -11.660 -10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.278 -11.674 -10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.311 -11.316 -7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.837 -11.479 -8.939 1.00 0.00 H new ATOM 171 N ALA A 11 -3.052 -6.284 -6.433 1.00 0.00 N ATOM 172 CA ALA A 11 -3.469 -5.032 -5.777 1.00 0.00 C ATOM 173 C ALA A 11 -4.393 -4.219 -6.685 1.00 0.00 C ATOM 174 O ALA A 11 -5.292 -3.508 -6.215 1.00 0.00 O ATOM 175 CB ALA A 11 -2.255 -4.210 -5.372 1.00 0.00 C ATOM 0 H ALA A 11 -2.040 -6.388 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.025 -5.291 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.583 -3.290 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.642 -4.785 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.669 -3.966 -6.258 1.00 0.00 H new ATOM 181 N LEU A 12 -4.172 -4.362 -7.985 1.00 0.00 N ATOM 182 CA LEU A 12 -5.006 -3.753 -9.020 1.00 0.00 C ATOM 183 C LEU A 12 -6.465 -4.161 -8.836 1.00 0.00 C ATOM 184 O LEU A 12 -7.363 -3.325 -8.749 1.00 0.00 O ATOM 185 CB LEU A 12 -4.528 -4.223 -10.409 1.00 0.00 C ATOM 186 CG LEU A 12 -3.080 -3.914 -10.822 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.764 -4.593 -12.140 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.855 -2.428 -10.966 1.00 0.00 C ATOM 0 H LEU A 12 -3.398 -4.912 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.923 -2.669 -8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.666 -5.303 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.188 -3.782 -11.155 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.422 -4.291 -10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.736 -4.370 -12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.885 -5.671 -12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.443 -4.227 -12.910 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.821 -2.243 -11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.525 -2.031 -11.729 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.056 -1.936 -10.015 1.00 0.00 H new ATOM 200 N LYS A 13 -6.674 -5.440 -8.679 1.00 0.00 N ATOM 201 CA LYS A 13 -8.010 -6.012 -8.638 1.00 0.00 C ATOM 202 C LYS A 13 -8.630 -5.736 -7.276 1.00 0.00 C ATOM 203 O LYS A 13 -9.859 -5.749 -7.102 1.00 0.00 O ATOM 204 CB LYS A 13 -7.926 -7.531 -8.870 1.00 0.00 C ATOM 205 CG LYS A 13 -6.885 -7.950 -9.916 1.00 0.00 C ATOM 206 CD LYS A 13 -7.132 -7.339 -11.291 1.00 0.00 C ATOM 207 CE LYS A 13 -5.936 -7.587 -12.195 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.137 -7.063 -13.558 1.00 0.00 N ATOM 0 H LYS A 13 -5.925 -6.125 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.626 -5.563 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.691 -8.019 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.905 -7.894 -9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.894 -7.658 -9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.885 -9.036 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.029 -7.772 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.309 -6.268 -11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.052 -7.122 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.740 -8.658 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.293 -7.258 -14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.964 -7.524 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.297 -6.036 -13.515 1.00 0.00 H new ATOM 222 N GLU A 14 -7.767 -5.460 -6.335 1.00 0.00 N ATOM 223 CA GLU A 14 -8.139 -5.225 -4.981 1.00 0.00 C ATOM 224 C GLU A 14 -8.800 -3.874 -4.774 1.00 0.00 C ATOM 225 O GLU A 14 -9.827 -3.797 -4.109 1.00 0.00 O ATOM 226 CB GLU A 14 -6.952 -5.421 -4.078 1.00 0.00 C ATOM 227 CG GLU A 14 -6.483 -6.870 -4.056 1.00 0.00 C ATOM 228 CD GLU A 14 -5.415 -7.159 -3.041 1.00 0.00 C ATOM 229 OE1 GLU A 14 -4.391 -6.465 -3.005 1.00 0.00 O ATOM 230 OE2 GLU A 14 -5.577 -8.123 -2.258 1.00 0.00 O ATOM 0 H GLU A 14 -6.763 -5.393 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.899 -5.960 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.135 -4.781 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.211 -5.109 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.340 -7.514 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.108 -7.133 -5.045 1.00 0.00 H new ATOM 237 N TRP A 15 -8.263 -2.807 -5.356 1.00 0.00 N ATOM 238 CA TRP A 15 -8.937 -1.511 -5.176 1.00 0.00 C ATOM 239 C TRP A 15 -10.234 -1.495 -5.971 1.00 0.00 C ATOM 240 O TRP A 15 -11.181 -0.780 -5.645 1.00 0.00 O ATOM 241 CB TRP A 15 -8.059 -0.260 -5.531 1.00 0.00 C ATOM 242 CG TRP A 15 -7.945 0.122 -7.007 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.918 0.691 -7.802 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.783 0.043 -7.829 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.439 0.911 -9.056 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.136 0.536 -9.105 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.492 -0.405 -7.624 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.237 0.590 -10.155 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.601 -0.343 -8.670 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.975 0.147 -9.920 1.00 0.00 C ATOM 0 H TRP A 15 -7.416 -2.799 -5.924 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.139 -1.422 -4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.460 0.598 -4.991 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.053 -0.435 -5.149 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.919 0.928 -7.475 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.974 1.296 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.189 -0.795 -6.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.527 0.970 -11.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.587 -0.682 -8.519 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.247 0.175 -10.717 1.00 0.00 H new ATOM 261 N ARG A 16 -10.279 -2.303 -7.005 1.00 0.00 N ATOM 262 CA ARG A 16 -11.429 -2.318 -7.879 1.00 0.00 C ATOM 263 C ARG A 16 -12.590 -3.131 -7.303 1.00 0.00 C ATOM 264 O ARG A 16 -13.705 -3.065 -7.816 1.00 0.00 O ATOM 265 CB ARG A 16 -11.055 -2.788 -9.287 1.00 0.00 C ATOM 266 CG ARG A 16 -9.828 -2.075 -9.828 1.00 0.00 C ATOM 267 CD ARG A 16 -9.586 -2.307 -11.301 1.00 0.00 C ATOM 268 NE ARG A 16 -9.708 -3.723 -11.708 1.00 0.00 N ATOM 269 CZ ARG A 16 -9.519 -4.196 -12.959 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.074 -3.398 -13.929 1.00 0.00 N ATOM 271 NH2 ARG A 16 -9.751 -5.476 -13.220 1.00 0.00 N ATOM 0 H ARG A 16 -9.537 -2.955 -7.261 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.779 -1.289 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.870 -3.862 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.896 -2.619 -9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.934 -1.005 -9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.952 -2.405 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.295 -1.711 -11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.589 -1.949 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.955 -4.398 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.872 -2.418 -13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.935 -3.767 -14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.071 -6.098 -12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.610 -5.838 -14.163 1.00 0.00 H new ATOM 285 N LYS A 17 -12.343 -3.909 -6.251 1.00 0.00 N ATOM 286 CA LYS A 17 -13.430 -4.636 -5.617 1.00 0.00 C ATOM 287 C LYS A 17 -14.016 -3.864 -4.444 1.00 0.00 C ATOM 288 O LYS A 17 -15.002 -4.283 -3.843 1.00 0.00 O ATOM 289 CB LYS A 17 -13.014 -6.077 -5.214 1.00 0.00 C ATOM 290 CG LYS A 17 -11.790 -6.218 -4.283 1.00 0.00 C ATOM 291 CD LYS A 17 -12.049 -5.791 -2.821 1.00 0.00 C ATOM 292 CE LYS A 17 -13.149 -6.608 -2.140 1.00 0.00 C ATOM 293 NZ LYS A 17 -12.808 -8.039 -2.005 1.00 0.00 N ATOM 0 H LYS A 17 -11.424 -4.048 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.220 -4.736 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.866 -6.552 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.813 -6.639 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.459 -7.257 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.972 -5.619 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.125 -5.891 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.323 -4.736 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.343 -6.192 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.072 -6.513 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.583 -8.537 -1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.666 -8.453 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.934 -8.137 -1.449 1.00 0.00 H new ATOM 307 N LEU A 18 -13.409 -2.753 -4.115 1.00 0.00 N ATOM 308 CA LEU A 18 -13.864 -1.961 -2.998 1.00 0.00 C ATOM 309 C LEU A 18 -14.483 -0.637 -3.441 1.00 0.00 C ATOM 310 O LEU A 18 -14.358 -0.238 -4.609 1.00 0.00 O ATOM 311 CB LEU A 18 -12.758 -1.813 -1.921 1.00 0.00 C ATOM 312 CG LEU A 18 -11.385 -1.291 -2.373 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.382 0.202 -2.630 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.313 -1.667 -1.380 1.00 0.00 C ATOM 0 H LEU A 18 -12.598 -2.375 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.678 -2.501 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.132 -1.144 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.610 -2.788 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.165 -1.774 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.387 0.515 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.103 0.438 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.654 0.729 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.351 -1.286 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.550 -1.234 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.263 -2.752 -1.292 1.00 0.00 H new ATOM 326 N GLY A 19 -15.132 0.027 -2.500 1.00 0.00 N ATOM 327 CA GLY A 19 -15.877 1.240 -2.772 1.00 0.00 C ATOM 328 C GLY A 19 -15.036 2.441 -3.174 1.00 0.00 C ATOM 329 O GLY A 19 -13.827 2.517 -2.881 1.00 0.00 O ATOM 0 H GLY A 19 -15.156 -0.263 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.594 1.036 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.452 1.501 -1.884 1.00 0.00 H new ATOM 333 N SER A 20 -15.695 3.394 -3.803 1.00 0.00 N ATOM 334 CA SER A 20 -15.077 4.587 -4.322 1.00 0.00 C ATOM 335 C SER A 20 -14.500 5.489 -3.223 1.00 0.00 C ATOM 336 O SER A 20 -13.377 5.961 -3.344 1.00 0.00 O ATOM 337 CB SER A 20 -16.089 5.324 -5.184 1.00 0.00 C ATOM 338 OG SER A 20 -17.345 5.381 -4.518 1.00 0.00 O ATOM 0 H SER A 20 -16.701 3.354 -3.969 1.00 0.00 H new ATOM 0 HA SER A 20 -14.220 4.296 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.734 6.333 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.199 4.818 -6.143 1.00 0.00 H new ATOM 0 HG SER A 20 -17.991 5.859 -5.079 1.00 0.00 H new ATOM 344 N THR A 21 -15.241 5.672 -2.134 1.00 0.00 N ATOM 345 CA THR A 21 -14.802 6.523 -1.035 1.00 0.00 C ATOM 346 C THR A 21 -13.536 5.935 -0.408 1.00 0.00 C ATOM 347 O THR A 21 -12.613 6.653 -0.024 1.00 0.00 O ATOM 348 CB THR A 21 -15.909 6.613 0.037 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.145 6.979 -0.592 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.570 7.643 1.112 1.00 0.00 C ATOM 0 H THR A 21 -16.153 5.239 -1.990 1.00 0.00 H new ATOM 0 HA THR A 21 -14.592 7.521 -1.419 1.00 0.00 H new ATOM 0 HB THR A 21 -15.996 5.638 0.517 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.852 7.036 0.084 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.373 7.678 1.849 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.638 7.363 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.457 8.625 0.652 1.00 0.00 H new ATOM 358 N VAL A 22 -13.494 4.624 -0.358 1.00 0.00 N ATOM 359 CA VAL A 22 -12.381 3.894 0.196 1.00 0.00 C ATOM 360 C VAL A 22 -11.121 4.120 -0.638 1.00 0.00 C ATOM 361 O VAL A 22 -10.079 4.515 -0.107 1.00 0.00 O ATOM 362 CB VAL A 22 -12.693 2.384 0.264 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.509 1.600 0.795 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.920 2.134 1.120 1.00 0.00 C ATOM 0 H VAL A 22 -14.244 4.027 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.210 4.264 1.207 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.896 2.039 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.761 0.540 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.651 1.747 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.262 1.948 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.126 1.064 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.741 2.504 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.776 2.653 0.689 1.00 0.00 H new ATOM 374 N ARG A 23 -11.232 3.907 -1.939 1.00 0.00 N ATOM 375 CA ARG A 23 -10.086 4.043 -2.817 1.00 0.00 C ATOM 376 C ARG A 23 -9.629 5.485 -2.947 1.00 0.00 C ATOM 377 O ARG A 23 -8.466 5.736 -3.200 1.00 0.00 O ATOM 378 CB ARG A 23 -10.308 3.368 -4.173 1.00 0.00 C ATOM 379 CG ARG A 23 -11.460 3.905 -4.975 1.00 0.00 C ATOM 380 CD ARG A 23 -11.745 3.014 -6.162 1.00 0.00 C ATOM 381 NE ARG A 23 -12.830 3.535 -6.996 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.919 2.843 -7.357 1.00 0.00 C ATOM 383 NH1 ARG A 23 -14.190 1.655 -6.800 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.756 3.353 -8.252 1.00 0.00 N ATOM 0 H ARG A 23 -12.099 3.641 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.265 3.506 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.397 3.468 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.466 2.302 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.347 3.975 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.232 4.914 -5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.842 2.914 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.006 2.016 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.751 4.497 -7.327 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.564 1.268 -6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.022 1.137 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.569 4.268 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.586 2.830 -8.530 1.00 0.00 H new ATOM 398 N GLU A 24 -10.531 6.425 -2.738 1.00 0.00 N ATOM 399 CA GLU A 24 -10.160 7.819 -2.745 1.00 0.00 C ATOM 400 C GLU A 24 -9.329 8.168 -1.544 1.00 0.00 C ATOM 401 O GLU A 24 -8.345 8.891 -1.666 1.00 0.00 O ATOM 402 CB GLU A 24 -11.357 8.745 -2.880 1.00 0.00 C ATOM 403 CG GLU A 24 -11.920 8.766 -4.280 1.00 0.00 C ATOM 404 CD GLU A 24 -10.854 9.141 -5.294 1.00 0.00 C ATOM 405 OE1 GLU A 24 -10.062 10.085 -5.040 1.00 0.00 O ATOM 406 OE2 GLU A 24 -10.743 8.468 -6.332 1.00 0.00 O ATOM 0 H GLU A 24 -11.520 6.246 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.549 7.974 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.135 8.431 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.064 9.755 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.330 7.786 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.743 9.478 -4.333 1.00 0.00 H new ATOM 413 N GLN A 25 -9.695 7.625 -0.392 1.00 0.00 N ATOM 414 CA GLN A 25 -8.921 7.831 0.828 1.00 0.00 C ATOM 415 C GLN A 25 -7.518 7.263 0.651 1.00 0.00 C ATOM 416 O GLN A 25 -6.524 7.882 1.062 1.00 0.00 O ATOM 417 CB GLN A 25 -9.612 7.190 2.027 1.00 0.00 C ATOM 418 CG GLN A 25 -10.943 7.823 2.381 1.00 0.00 C ATOM 419 CD GLN A 25 -11.641 7.112 3.515 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.420 7.413 4.687 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.512 6.201 3.178 1.00 0.00 N ATOM 0 H GLN A 25 -10.521 7.039 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.849 8.902 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.768 6.131 1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.950 7.252 2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.784 8.866 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.588 7.819 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.665 5.981 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.040 5.709 3.899 1.00 0.00 H new ATOM 430 N LEU A 26 -7.450 6.107 -0.003 1.00 0.00 N ATOM 431 CA LEU A 26 -6.187 5.460 -0.327 1.00 0.00 C ATOM 432 C LEU A 26 -5.332 6.380 -1.186 1.00 0.00 C ATOM 433 O LEU A 26 -4.194 6.627 -0.870 1.00 0.00 O ATOM 434 CB LEU A 26 -6.421 4.140 -1.069 1.00 0.00 C ATOM 435 CG LEU A 26 -7.193 3.055 -0.315 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.425 1.863 -1.215 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.430 2.622 0.920 1.00 0.00 C ATOM 0 H LEU A 26 -8.271 5.594 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.668 5.248 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.957 4.359 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.451 3.732 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.155 3.466 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.975 1.097 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.002 2.172 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.466 1.460 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.994 1.850 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.458 2.226 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.289 3.478 1.579 1.00 0.00 H new ATOM 449 N LYS A 27 -5.930 6.917 -2.240 1.00 0.00 N ATOM 450 CA LYS A 27 -5.258 7.812 -3.185 1.00 0.00 C ATOM 451 C LYS A 27 -4.757 9.086 -2.523 1.00 0.00 C ATOM 452 O LYS A 27 -3.726 9.628 -2.911 1.00 0.00 O ATOM 453 CB LYS A 27 -6.188 8.154 -4.340 1.00 0.00 C ATOM 454 CG LYS A 27 -6.435 7.000 -5.298 1.00 0.00 C ATOM 455 CD LYS A 27 -7.605 7.278 -6.231 1.00 0.00 C ATOM 456 CE LYS A 27 -7.444 8.574 -7.014 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.613 8.821 -7.866 1.00 0.00 N ATOM 0 H LYS A 27 -6.909 6.744 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.385 7.280 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.144 8.489 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.766 8.991 -4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.536 6.818 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.632 6.091 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.711 6.448 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.525 7.323 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.310 9.406 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.545 8.523 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.738 9.845 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.469 8.370 -8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.461 8.422 -7.415 1.00 0.00 H new ATOM 471 N LYS A 28 -5.486 9.563 -1.535 1.00 0.00 N ATOM 472 CA LYS A 28 -5.076 10.743 -0.796 1.00 0.00 C ATOM 473 C LYS A 28 -3.818 10.453 0.015 1.00 0.00 C ATOM 474 O LYS A 28 -2.879 11.252 0.045 1.00 0.00 O ATOM 475 CB LYS A 28 -6.207 11.277 0.103 1.00 0.00 C ATOM 476 CG LYS A 28 -7.129 12.390 -0.492 1.00 0.00 C ATOM 477 CD LYS A 28 -8.016 11.995 -1.703 1.00 0.00 C ATOM 478 CE LYS A 28 -7.242 11.854 -3.008 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.131 11.720 -4.194 1.00 0.00 N ATOM 0 H LYS A 28 -6.366 9.153 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.848 11.526 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.837 10.435 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.757 11.664 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.782 12.751 0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.499 13.228 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.516 11.052 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.795 12.746 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.598 12.724 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.591 10.982 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.553 11.576 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.764 10.905 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.698 12.585 -4.302 1.00 0.00 H new ATOM 493 N LYS A 29 -3.769 9.294 0.622 1.00 0.00 N ATOM 494 CA LYS A 29 -2.593 8.912 1.389 1.00 0.00 C ATOM 495 C LYS A 29 -1.444 8.566 0.490 1.00 0.00 C ATOM 496 O LYS A 29 -0.299 8.696 0.855 1.00 0.00 O ATOM 497 CB LYS A 29 -2.890 7.812 2.413 1.00 0.00 C ATOM 498 CG LYS A 29 -3.369 8.361 3.749 1.00 0.00 C ATOM 499 CD LYS A 29 -4.569 9.267 3.586 1.00 0.00 C ATOM 500 CE LYS A 29 -4.883 10.006 4.855 1.00 0.00 C ATOM 501 NZ LYS A 29 -3.742 10.837 5.322 1.00 0.00 N ATOM 0 H LYS A 29 -4.517 8.600 0.606 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.294 9.784 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.648 7.141 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.990 7.218 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.625 7.534 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.559 8.913 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.379 9.982 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.434 8.675 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.753 10.644 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.151 9.291 5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.089 11.568 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.052 10.234 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.286 11.291 4.505 1.00 0.00 H new ATOM 515 N LEU A 30 -1.766 8.180 -0.695 1.00 0.00 N ATOM 516 CA LEU A 30 -0.772 7.882 -1.686 1.00 0.00 C ATOM 517 C LEU A 30 -0.117 9.159 -2.213 1.00 0.00 C ATOM 518 O LEU A 30 1.083 9.203 -2.409 1.00 0.00 O ATOM 519 CB LEU A 30 -1.329 7.025 -2.828 1.00 0.00 C ATOM 520 CG LEU A 30 -1.774 5.600 -2.454 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.363 4.889 -3.660 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.608 4.796 -1.884 1.00 0.00 C ATOM 0 H LEU A 30 -2.728 8.059 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.001 7.288 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.181 7.547 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.568 6.953 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.543 5.680 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.671 3.883 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.228 5.444 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.613 4.828 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.949 3.793 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.187 4.731 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.228 5.290 -0.990 1.00 0.00 H new ATOM 534 N VAL A 31 -0.889 10.220 -2.377 1.00 0.00 N ATOM 535 CA VAL A 31 -0.324 11.465 -2.892 1.00 0.00 C ATOM 536 C VAL A 31 0.610 12.124 -1.860 1.00 0.00 C ATOM 537 O VAL A 31 1.509 12.887 -2.220 1.00 0.00 O ATOM 538 CB VAL A 31 -1.409 12.476 -3.420 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.224 13.101 -2.305 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.793 13.544 -4.319 1.00 0.00 C ATOM 0 H VAL A 31 -1.887 10.251 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 31 0.271 11.189 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.103 11.889 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.955 13.789 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.742 12.319 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.562 13.646 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.573 14.223 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.045 14.105 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.320 13.068 -5.178 1.00 0.00 H new ATOM 550 N GLU A 32 0.443 11.784 -0.584 1.00 0.00 N ATOM 551 CA GLU A 32 1.298 12.348 0.440 1.00 0.00 C ATOM 552 C GLU A 32 2.481 11.415 0.676 1.00 0.00 C ATOM 553 O GLU A 32 3.601 11.848 0.987 1.00 0.00 O ATOM 554 CB GLU A 32 0.504 12.641 1.745 1.00 0.00 C ATOM 555 CG GLU A 32 -0.259 11.447 2.294 1.00 0.00 C ATOM 556 CD GLU A 32 -1.092 11.753 3.526 1.00 0.00 C ATOM 557 OE1 GLU A 32 -2.288 12.128 3.391 1.00 0.00 O ATOM 558 OE2 GLU A 32 -0.596 11.599 4.648 1.00 0.00 O ATOM 0 H GLU A 32 -0.265 11.132 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 32 1.683 13.310 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.198 12.995 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.200 13.451 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.914 11.059 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.451 10.657 2.537 1.00 0.00 H new ATOM 565 N VAL A 33 2.247 10.139 0.430 1.00 0.00 N ATOM 566 CA VAL A 33 3.234 9.119 0.653 1.00 0.00 C ATOM 567 C VAL A 33 4.317 9.187 -0.425 1.00 0.00 C ATOM 568 O VAL A 33 5.466 8.890 -0.177 1.00 0.00 O ATOM 569 CB VAL A 33 2.581 7.706 0.710 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.414 7.045 -0.646 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.315 6.829 1.636 1.00 0.00 C ATOM 0 H VAL A 33 1.360 9.788 0.068 1.00 0.00 H new ATOM 0 HA VAL A 33 3.702 9.299 1.621 1.00 0.00 H new ATOM 0 HB VAL A 33 1.570 7.862 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.953 6.066 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.779 7.666 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.390 6.928 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.841 5.848 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.347 6.726 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.301 7.263 2.636 1.00 0.00 H new ATOM 581 N LEU A 34 3.941 9.666 -1.607 1.00 0.00 N ATOM 582 CA LEU A 34 4.869 9.797 -2.733 1.00 0.00 C ATOM 583 C LEU A 34 5.910 10.883 -2.484 1.00 0.00 C ATOM 584 O LEU A 34 6.806 11.100 -3.316 1.00 0.00 O ATOM 585 CB LEU A 34 4.127 10.065 -4.050 1.00 0.00 C ATOM 586 CG LEU A 34 3.157 8.981 -4.530 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.412 9.451 -5.762 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.893 7.697 -4.845 1.00 0.00 C ATOM 0 H LEU A 34 2.991 9.974 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 34 5.388 8.843 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.570 10.996 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.870 10.226 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 34 2.445 8.789 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.726 8.671 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.848 10.353 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.125 9.668 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.182 6.944 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.627 7.881 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.401 7.340 -3.949 1.00 0.00 H new ATOM 600 N GLU A 35 5.752 11.594 -1.386 1.00 0.00 N ATOM 601 CA GLU A 35 6.698 12.582 -0.977 1.00 0.00 C ATOM 602 C GLU A 35 7.407 12.060 0.290 1.00 0.00 C ATOM 603 O GLU A 35 8.625 12.150 0.414 1.00 0.00 O ATOM 604 CB GLU A 35 5.973 13.932 -0.750 1.00 0.00 C ATOM 605 CG GLU A 35 6.858 15.198 -0.739 1.00 0.00 C ATOM 606 CD GLU A 35 7.738 15.359 0.482 1.00 0.00 C ATOM 607 OE1 GLU A 35 7.249 15.845 1.515 1.00 0.00 O ATOM 608 OE2 GLU A 35 8.943 15.053 0.422 1.00 0.00 O ATOM 0 H GLU A 35 4.955 11.493 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 35 7.453 12.761 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.220 14.050 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.443 13.878 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.492 15.186 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.213 16.073 -0.820 1.00 0.00 H new ATOM 615 N SER A 36 6.664 11.442 1.182 1.00 0.00 N ATOM 616 CA SER A 36 7.235 10.937 2.429 1.00 0.00 C ATOM 617 C SER A 36 6.662 9.559 2.790 1.00 0.00 C ATOM 618 O SER A 36 5.644 9.462 3.486 1.00 0.00 O ATOM 619 CB SER A 36 6.981 11.917 3.567 1.00 0.00 C ATOM 620 OG SER A 36 7.448 13.212 3.240 1.00 0.00 O ATOM 0 H SER A 36 5.664 11.273 1.075 1.00 0.00 H new ATOM 0 HA SER A 36 8.310 10.831 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.914 11.957 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.478 11.566 4.471 1.00 0.00 H new ATOM 0 HG SER A 36 7.271 13.822 3.987 1.00 0.00 H new ATOM 626 N PRO A 37 7.270 8.483 2.279 1.00 0.00 N ATOM 627 CA PRO A 37 6.804 7.133 2.538 1.00 0.00 C ATOM 628 C PRO A 37 7.498 6.433 3.724 1.00 0.00 C ATOM 629 O PRO A 37 7.192 5.284 4.041 1.00 0.00 O ATOM 630 CB PRO A 37 7.147 6.435 1.229 1.00 0.00 C ATOM 631 CG PRO A 37 8.417 7.086 0.776 1.00 0.00 C ATOM 632 CD PRO A 37 8.394 8.498 1.317 1.00 0.00 C ATOM 0 HA PRO A 37 5.752 7.114 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.281 5.363 1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.353 6.560 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.285 6.542 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.485 7.089 -0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.335 8.757 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.234 9.229 0.524 1.00 0.00 H new ATOM 640 N ARG A 38 8.426 7.097 4.382 1.00 0.00 N ATOM 641 CA ARG A 38 9.106 6.451 5.486 1.00 0.00 C ATOM 642 C ARG A 38 8.438 6.780 6.800 1.00 0.00 C ATOM 643 O ARG A 38 8.764 7.774 7.448 1.00 0.00 O ATOM 644 CB ARG A 38 10.611 6.754 5.523 1.00 0.00 C ATOM 645 CG ARG A 38 11.347 6.253 4.292 1.00 0.00 C ATOM 646 CD ARG A 38 12.859 6.359 4.428 1.00 0.00 C ATOM 647 NE ARG A 38 13.366 7.741 4.539 1.00 0.00 N ATOM 648 CZ ARG A 38 14.641 8.096 4.269 1.00 0.00 C ATOM 649 NH1 ARG A 38 15.523 7.172 3.883 1.00 0.00 N ATOM 650 NH2 ARG A 38 15.026 9.365 4.383 1.00 0.00 N ATOM 0 H ARG A 38 8.720 8.053 4.181 1.00 0.00 H new ATOM 0 HA ARG A 38 9.021 5.377 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.757 7.830 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.047 6.297 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.075 5.214 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.024 6.825 3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.173 5.798 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.324 5.883 3.565 1.00 0.00 H new ATOM 0 HE ARG A 38 12.717 8.469 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.234 6.198 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.486 7.440 3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.357 10.077 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.990 9.626 4.177 1.00 0.00 H new ATOM 664 N ILE A 39 7.458 5.976 7.161 1.00 0.00 N ATOM 665 CA ILE A 39 6.721 6.181 8.377 1.00 0.00 C ATOM 666 C ILE A 39 7.003 5.016 9.320 1.00 0.00 C ATOM 667 O ILE A 39 6.341 3.979 9.264 1.00 0.00 O ATOM 668 CB ILE A 39 5.187 6.294 8.115 1.00 0.00 C ATOM 669 CG1 ILE A 39 4.906 7.349 7.027 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.455 6.665 9.405 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.444 7.458 6.630 1.00 0.00 C ATOM 0 H ILE A 39 7.156 5.167 6.617 1.00 0.00 H new ATOM 0 HA ILE A 39 7.043 7.122 8.824 1.00 0.00 H new ATOM 0 HB ILE A 39 4.823 5.327 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.248 8.321 7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.494 7.108 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.386 6.741 9.208 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.632 5.897 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.825 7.623 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.332 8.222 5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.100 6.499 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.850 7.731 7.502 1.00 0.00 H new ATOM 683 N GLU A 40 7.998 5.192 10.174 1.00 0.00 N ATOM 684 CA GLU A 40 8.459 4.151 11.100 1.00 0.00 C ATOM 685 C GLU A 40 7.377 3.756 12.108 1.00 0.00 C ATOM 686 O GLU A 40 7.416 2.677 12.694 1.00 0.00 O ATOM 687 CB GLU A 40 9.726 4.602 11.835 1.00 0.00 C ATOM 688 CG GLU A 40 9.573 5.928 12.556 1.00 0.00 C ATOM 689 CD GLU A 40 10.738 6.249 13.437 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.738 6.811 12.952 1.00 0.00 O ATOM 691 OE2 GLU A 40 10.667 5.947 14.648 1.00 0.00 O ATOM 0 H GLU A 40 8.518 6.066 10.251 1.00 0.00 H new ATOM 0 HA GLU A 40 8.689 3.270 10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.008 3.836 12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.543 4.681 11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.450 6.723 11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.664 5.906 13.157 1.00 0.00 H new ATOM 698 N ALA A 41 6.417 4.626 12.290 1.00 0.00 N ATOM 699 CA ALA A 41 5.318 4.376 13.204 1.00 0.00 C ATOM 700 C ALA A 41 4.388 3.289 12.657 1.00 0.00 C ATOM 701 O ALA A 41 3.730 2.593 13.415 1.00 0.00 O ATOM 702 CB ALA A 41 4.546 5.666 13.459 1.00 0.00 C ATOM 0 H ALA A 41 6.369 5.527 11.813 1.00 0.00 H new ATOM 0 HA ALA A 41 5.729 4.020 14.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.723 5.468 14.146 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.213 6.409 13.896 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.149 6.045 12.517 1.00 0.00 H new ATOM 708 N ASN A 42 4.396 3.114 11.342 1.00 0.00 N ATOM 709 CA ASN A 42 3.497 2.167 10.686 1.00 0.00 C ATOM 710 C ASN A 42 4.275 1.141 9.887 1.00 0.00 C ATOM 711 O ASN A 42 3.788 0.619 8.894 1.00 0.00 O ATOM 712 CB ASN A 42 2.487 2.893 9.768 1.00 0.00 C ATOM 713 CG ASN A 42 1.472 3.747 10.518 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.401 3.276 10.913 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.782 5.003 10.698 1.00 0.00 N ATOM 0 H ASN A 42 5.016 3.615 10.706 1.00 0.00 H new ATOM 0 HA ASN A 42 2.942 1.653 11.471 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.035 3.527 9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.954 2.151 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.131 5.625 11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.675 5.361 10.360 1.00 0.00 H new ATOM 722 N LYS A 43 5.487 0.864 10.310 1.00 0.00 N ATOM 723 CA LYS A 43 6.287 -0.172 9.673 1.00 0.00 C ATOM 724 C LYS A 43 5.769 -1.561 10.097 1.00 0.00 C ATOM 725 O LYS A 43 5.246 -1.718 11.207 1.00 0.00 O ATOM 726 CB LYS A 43 7.779 0.014 10.011 1.00 0.00 C ATOM 727 CG LYS A 43 8.129 -0.116 11.485 1.00 0.00 C ATOM 728 CD LYS A 43 9.598 0.211 11.729 1.00 0.00 C ATOM 729 CE LYS A 43 9.976 0.048 13.196 1.00 0.00 C ATOM 730 NZ LYS A 43 9.841 -1.349 13.653 1.00 0.00 N ATOM 0 H LYS A 43 5.945 1.337 11.090 1.00 0.00 H new ATOM 0 HA LYS A 43 6.191 -0.092 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.357 -0.721 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.094 0.998 9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.501 0.554 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.917 -1.130 11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.222 -0.441 11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.800 1.234 11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.004 0.379 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.343 0.691 13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.310 -1.460 14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.833 -1.588 13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.285 -1.985 12.960 1.00 0.00 H new ATOM 744 N LEU A 44 5.904 -2.546 9.225 1.00 0.00 N ATOM 745 CA LEU A 44 5.375 -3.868 9.476 1.00 0.00 C ATOM 746 C LEU A 44 6.192 -4.663 10.484 1.00 0.00 C ATOM 747 O LEU A 44 7.387 -4.427 10.681 1.00 0.00 O ATOM 748 CB LEU A 44 5.261 -4.669 8.190 1.00 0.00 C ATOM 749 CG LEU A 44 4.332 -4.129 7.114 1.00 0.00 C ATOM 750 CD1 LEU A 44 4.215 -5.128 5.979 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.968 -3.813 7.688 1.00 0.00 C ATOM 0 H LEU A 44 6.381 -2.449 8.329 1.00 0.00 H new ATOM 0 HA LEU A 44 4.385 -3.706 9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.258 -4.761 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.931 -5.675 8.447 1.00 0.00 H new ATOM 0 HG LEU A 44 4.755 -3.203 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.548 -4.732 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.200 -5.304 5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.813 -6.067 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.322 -3.428 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.530 -4.719 8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.068 -3.063 8.473 1.00 0.00 H new ATOM 763 N ARG A 45 5.538 -5.646 11.061 1.00 0.00 N ATOM 764 CA ARG A 45 6.097 -6.525 12.075 1.00 0.00 C ATOM 765 C ARG A 45 6.966 -7.613 11.422 1.00 0.00 C ATOM 766 O ARG A 45 6.516 -8.733 11.171 1.00 0.00 O ATOM 767 CB ARG A 45 4.933 -7.137 12.876 1.00 0.00 C ATOM 768 CG ARG A 45 5.296 -8.099 13.994 1.00 0.00 C ATOM 769 CD ARG A 45 4.023 -8.643 14.623 1.00 0.00 C ATOM 770 NE ARG A 45 4.273 -9.678 15.625 1.00 0.00 N ATOM 771 CZ ARG A 45 3.357 -10.576 16.038 1.00 0.00 C ATOM 772 NH1 ARG A 45 2.128 -10.565 15.528 1.00 0.00 N ATOM 773 NH2 ARG A 45 3.678 -11.482 16.939 1.00 0.00 N ATOM 0 H ARG A 45 4.569 -5.867 10.832 1.00 0.00 H new ATOM 0 HA ARG A 45 6.743 -5.964 12.750 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.352 -6.321 13.306 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.279 -7.660 12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.900 -8.917 13.603 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.898 -7.589 14.746 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.475 -7.823 15.086 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.384 -9.051 13.840 1.00 0.00 H new ATOM 0 HE ARG A 45 5.204 -9.723 16.040 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.875 -9.875 14.821 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.439 -11.247 15.844 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.622 -11.505 17.326 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.983 -12.161 17.250 1.00 0.00 H new ATOM 787 N GLY A 46 8.175 -7.250 11.093 1.00 0.00 N ATOM 788 CA GLY A 46 9.093 -8.163 10.450 1.00 0.00 C ATOM 789 C GLY A 46 9.664 -7.560 9.187 1.00 0.00 C ATOM 790 O GLY A 46 10.786 -7.870 8.783 1.00 0.00 O ATOM 0 H GLY A 46 8.555 -6.318 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.903 -8.413 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.578 -9.094 10.212 1.00 0.00 H new ATOM 794 N MET A 47 8.897 -6.676 8.582 1.00 0.00 N ATOM 795 CA MET A 47 9.293 -5.997 7.351 1.00 0.00 C ATOM 796 C MET A 47 9.396 -4.498 7.621 1.00 0.00 C ATOM 797 O MET A 47 8.398 -3.798 7.550 1.00 0.00 O ATOM 798 CB MET A 47 8.252 -6.219 6.229 1.00 0.00 C ATOM 799 CG MET A 47 8.090 -7.638 5.709 1.00 0.00 C ATOM 800 SD MET A 47 9.507 -8.215 4.770 1.00 0.00 S ATOM 801 CE MET A 47 8.894 -9.798 4.193 1.00 0.00 C ATOM 0 H MET A 47 7.977 -6.403 8.926 1.00 0.00 H new ATOM 0 HA MET A 47 10.251 -6.405 7.029 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.283 -5.879 6.594 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.518 -5.578 5.388 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.923 -8.310 6.551 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.201 -7.688 5.080 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.734 -10.468 4.009 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.241 -10.233 4.950 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.334 -9.656 3.269 1.00 0.00 H new ATOM 811 N PRO A 48 10.578 -3.981 7.968 1.00 0.00 N ATOM 812 CA PRO A 48 10.752 -2.557 8.278 1.00 0.00 C ATOM 813 C PRO A 48 10.743 -1.683 7.024 1.00 0.00 C ATOM 814 O PRO A 48 10.574 -0.467 7.103 1.00 0.00 O ATOM 815 CB PRO A 48 12.132 -2.491 8.952 1.00 0.00 C ATOM 816 CG PRO A 48 12.542 -3.915 9.169 1.00 0.00 C ATOM 817 CD PRO A 48 11.834 -4.716 8.123 1.00 0.00 C ATOM 0 HA PRO A 48 9.939 -2.183 8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.851 -1.968 8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.082 -1.949 9.896 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.623 -4.027 9.080 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.268 -4.251 10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.398 -4.759 7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.667 -5.745 8.442 1.00 0.00 H new ATOM 825 N ASP A 49 10.918 -2.318 5.878 1.00 0.00 N ATOM 826 CA ASP A 49 10.976 -1.616 4.594 1.00 0.00 C ATOM 827 C ASP A 49 9.590 -1.543 3.986 1.00 0.00 C ATOM 828 O ASP A 49 9.375 -0.932 2.929 1.00 0.00 O ATOM 829 CB ASP A 49 11.914 -2.344 3.621 1.00 0.00 C ATOM 830 CG ASP A 49 13.294 -2.600 4.187 1.00 0.00 C ATOM 831 OD1 ASP A 49 14.162 -1.707 4.127 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.537 -3.719 4.697 1.00 0.00 O ATOM 0 H ASP A 49 11.024 -3.330 5.804 1.00 0.00 H new ATOM 0 HA ASP A 49 11.357 -0.610 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.464 -3.296 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.008 -1.753 2.710 1.00 0.00 H new ATOM 837 N CYS A 50 8.657 -2.170 4.652 1.00 0.00 N ATOM 838 CA CYS A 50 7.296 -2.194 4.226 1.00 0.00 C ATOM 839 C CYS A 50 6.468 -1.500 5.282 1.00 0.00 C ATOM 840 O CYS A 50 6.710 -1.671 6.481 1.00 0.00 O ATOM 841 CB CYS A 50 6.832 -3.634 4.019 1.00 0.00 C ATOM 842 SG CYS A 50 7.821 -4.579 2.824 1.00 0.00 S ATOM 0 H CYS A 50 8.830 -2.683 5.516 1.00 0.00 H new ATOM 0 HA CYS A 50 7.183 -1.678 3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.853 -4.151 4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.794 -3.624 3.685 1.00 0.00 H new ATOM 0 HG CYS A 50 7.485 -5.834 2.879 1.00 0.00 H new ATOM 848 N TYR A 51 5.528 -0.710 4.858 1.00 0.00 N ATOM 849 CA TYR A 51 4.735 0.074 5.761 1.00 0.00 C ATOM 850 C TYR A 51 3.272 -0.144 5.444 1.00 0.00 C ATOM 851 O TYR A 51 2.931 -0.707 4.387 1.00 0.00 O ATOM 852 CB TYR A 51 5.098 1.565 5.637 1.00 0.00 C ATOM 853 CG TYR A 51 6.585 1.863 5.769 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.168 2.098 6.999 1.00 0.00 C ATOM 855 CD2 TYR A 51 7.400 1.892 4.651 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.522 2.358 7.111 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.750 2.150 4.753 1.00 0.00 C ATOM 858 CZ TYR A 51 9.305 2.381 5.978 1.00 0.00 C ATOM 859 OH TYR A 51 10.655 2.635 6.077 1.00 0.00 O ATOM 0 H TYR A 51 5.287 -0.589 3.874 1.00 0.00 H new ATOM 0 HA TYR A 51 4.934 -0.236 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.751 1.932 4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.559 2.123 6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.556 2.078 7.889 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.969 1.709 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.962 2.542 8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.366 2.169 3.866 1.00 0.00 H new ATOM 0 HH TYR A 51 11.058 2.613 5.184 1.00 0.00 H new ATOM 869 N LYS A 52 2.424 0.297 6.320 1.00 0.00 N ATOM 870 CA LYS A 52 1.010 0.110 6.191 1.00 0.00 C ATOM 871 C LYS A 52 0.297 1.444 6.339 1.00 0.00 C ATOM 872 O LYS A 52 0.837 2.390 6.913 1.00 0.00 O ATOM 873 CB LYS A 52 0.532 -0.857 7.289 1.00 0.00 C ATOM 874 CG LYS A 52 0.760 -0.313 8.700 1.00 0.00 C ATOM 875 CD LYS A 52 0.506 -1.332 9.792 1.00 0.00 C ATOM 876 CE LYS A 52 -0.922 -1.833 9.817 1.00 0.00 C ATOM 877 NZ LYS A 52 -1.104 -2.844 10.872 1.00 0.00 N ATOM 0 H LYS A 52 2.698 0.806 7.160 1.00 0.00 H new ATOM 0 HA LYS A 52 0.784 -0.304 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.530 -1.060 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.055 -1.807 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.786 0.045 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.109 0.547 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.179 -2.178 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.746 -0.888 10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.602 -0.998 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.179 -2.262 8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.933 -3.432 10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.257 -3.446 10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.250 -2.370 11.786 1.00 0.00 H new ATOM 891 N ILE A 53 -0.884 1.512 5.802 1.00 0.00 N ATOM 892 CA ILE A 53 -1.758 2.646 5.937 1.00 0.00 C ATOM 893 C ILE A 53 -3.111 2.066 6.275 1.00 0.00 C ATOM 894 O ILE A 53 -3.393 0.922 5.886 1.00 0.00 O ATOM 895 CB ILE A 53 -1.893 3.465 4.615 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.513 3.782 4.024 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.661 4.757 4.890 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.545 4.569 2.726 1.00 0.00 C ATOM 0 H ILE A 53 -1.281 0.759 5.240 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.364 3.327 6.691 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.441 2.867 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.062 4.344 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.018 2.846 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.755 5.328 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.654 4.516 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.123 5.350 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.474 4.747 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.089 4.002 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.044 5.524 2.892 1.00 0.00 H new ATOM 910 N LYS A 54 -3.924 2.789 6.993 1.00 0.00 N ATOM 911 CA LYS A 54 -5.211 2.293 7.367 1.00 0.00 C ATOM 912 C LYS A 54 -6.216 3.421 7.457 1.00 0.00 C ATOM 913 O LYS A 54 -5.920 4.505 7.971 1.00 0.00 O ATOM 914 CB LYS A 54 -5.105 1.487 8.672 1.00 0.00 C ATOM 915 CG LYS A 54 -4.569 2.273 9.859 1.00 0.00 C ATOM 916 CD LYS A 54 -3.833 1.368 10.830 1.00 0.00 C ATOM 917 CE LYS A 54 -4.710 0.251 11.414 1.00 0.00 C ATOM 918 NZ LYS A 54 -5.818 0.758 12.253 1.00 0.00 N ATOM 0 H LYS A 54 -3.713 3.728 7.331 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.576 1.615 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.092 1.099 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.458 0.626 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.897 3.056 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.393 2.768 10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.980 0.920 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.436 1.971 11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.123 -0.342 10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.088 -0.417 12.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.372 -0.043 12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.429 1.301 13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.432 1.373 11.682 1.00 0.00 H new ATOM 932 N LEU A 55 -7.368 3.178 6.909 1.00 0.00 N ATOM 933 CA LEU A 55 -8.453 4.124 6.915 1.00 0.00 C ATOM 934 C LEU A 55 -9.082 4.135 8.270 1.00 0.00 C ATOM 935 O LEU A 55 -9.479 3.083 8.790 1.00 0.00 O ATOM 936 CB LEU A 55 -9.485 3.794 5.827 1.00 0.00 C ATOM 937 CG LEU A 55 -9.170 4.268 4.390 1.00 0.00 C ATOM 938 CD1 LEU A 55 -7.811 3.816 3.910 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.228 3.772 3.436 1.00 0.00 C ATOM 0 H LEU A 55 -7.589 2.302 6.435 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.063 5.117 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.619 2.712 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.440 4.227 6.124 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.164 5.358 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.645 4.178 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.041 4.216 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.766 2.727 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.996 4.112 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.253 2.682 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.200 4.163 3.736 1.00 0.00 H new ATOM 951 N ARG A 56 -9.189 5.308 8.822 1.00 0.00 N ATOM 952 CA ARG A 56 -9.624 5.497 10.182 1.00 0.00 C ATOM 953 C ARG A 56 -11.077 5.073 10.365 1.00 0.00 C ATOM 954 O ARG A 56 -11.383 4.276 11.235 1.00 0.00 O ATOM 955 CB ARG A 56 -9.434 6.960 10.590 1.00 0.00 C ATOM 956 CG ARG A 56 -8.015 7.504 10.383 1.00 0.00 C ATOM 957 CD ARG A 56 -6.956 6.739 11.177 1.00 0.00 C ATOM 958 NE ARG A 56 -5.612 7.296 10.943 1.00 0.00 N ATOM 959 CZ ARG A 56 -4.440 6.766 11.346 1.00 0.00 C ATOM 960 NH1 ARG A 56 -4.403 5.623 12.022 1.00 0.00 N ATOM 961 NH2 ARG A 56 -3.302 7.393 11.057 1.00 0.00 N ATOM 0 H ARG A 56 -8.974 6.178 8.334 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.014 4.865 10.827 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.131 7.575 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.700 7.067 11.642 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.767 7.460 9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.989 8.554 10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.191 6.784 12.240 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.972 5.687 10.891 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.564 8.172 10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.270 5.133 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.508 5.235 12.320 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.321 8.268 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.411 6.998 11.359 1.00 0.00 H new ATOM 975 N SER A 57 -11.944 5.572 9.527 1.00 0.00 N ATOM 976 CA SER A 57 -13.359 5.272 9.631 1.00 0.00 C ATOM 977 C SER A 57 -13.721 3.955 8.917 1.00 0.00 C ATOM 978 O SER A 57 -14.493 3.141 9.429 1.00 0.00 O ATOM 979 CB SER A 57 -14.156 6.421 9.021 1.00 0.00 C ATOM 980 OG SER A 57 -13.746 7.683 9.556 1.00 0.00 O ATOM 0 H SER A 57 -11.700 6.194 8.756 1.00 0.00 H new ATOM 0 HA SER A 57 -13.606 5.153 10.686 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.024 6.423 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.218 6.271 9.213 1.00 0.00 H new ATOM 0 HG SER A 57 -14.273 8.399 9.145 1.00 0.00 H new ATOM 986 N SER A 58 -13.145 3.753 7.745 1.00 0.00 N ATOM 987 CA SER A 58 -13.499 2.628 6.899 1.00 0.00 C ATOM 988 C SER A 58 -12.919 1.282 7.396 1.00 0.00 C ATOM 989 O SER A 58 -13.524 0.230 7.183 1.00 0.00 O ATOM 990 CB SER A 58 -13.042 2.924 5.483 1.00 0.00 C ATOM 991 OG SER A 58 -13.438 4.240 5.102 1.00 0.00 O ATOM 0 H SER A 58 -12.424 4.360 7.355 1.00 0.00 H new ATOM 0 HA SER A 58 -14.582 2.510 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.958 2.829 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.469 2.194 4.795 1.00 0.00 H new ATOM 0 HG SER A 58 -14.142 4.186 4.423 1.00 0.00 H new ATOM 997 N GLY A 59 -11.756 1.315 8.036 1.00 0.00 N ATOM 998 CA GLY A 59 -11.161 0.079 8.545 1.00 0.00 C ATOM 999 C GLY A 59 -10.480 -0.763 7.464 1.00 0.00 C ATOM 1000 O GLY A 59 -10.392 -1.987 7.577 1.00 0.00 O ATOM 0 H GLY A 59 -11.215 2.161 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.430 0.327 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.937 -0.518 9.024 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.016 -0.111 6.419 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.296 -0.784 5.340 1.00 0.00 C ATOM 1006 C TYR A 60 -7.816 -0.583 5.524 1.00 0.00 C ATOM 1007 O TYR A 60 -7.406 0.300 6.269 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.719 -0.255 3.960 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.083 -0.709 3.479 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.250 -0.223 4.041 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.194 -1.620 2.437 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.487 -0.631 3.585 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.426 -2.034 1.975 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.570 -1.537 2.552 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.808 -1.948 2.093 1.00 0.00 O ATOM 0 H TYR A 60 -10.122 0.895 6.287 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.540 -1.846 5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.707 0.835 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.973 -0.563 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.192 0.489 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.298 -2.012 1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.387 -0.241 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.491 -2.745 1.164 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.689 -2.588 1.360 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.020 -1.371 4.851 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.590 -1.246 4.946 1.00 0.00 C ATOM 1027 C ARG A 61 -4.985 -1.243 3.554 1.00 0.00 C ATOM 1028 O ARG A 61 -5.618 -1.684 2.584 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.976 -2.404 5.761 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.155 -3.765 5.103 1.00 0.00 C ATOM 1031 CD ARG A 61 -4.454 -4.878 5.847 1.00 0.00 C ATOM 1032 NE ARG A 61 -4.979 -5.080 7.201 1.00 0.00 N ATOM 1033 CZ ARG A 61 -5.070 -6.263 7.826 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -4.574 -7.359 7.270 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -5.607 -6.330 9.014 1.00 0.00 N ATOM 0 H ARG A 61 -7.341 -2.111 4.227 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.368 -0.309 5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.912 -2.214 5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.432 -2.424 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.219 -3.993 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.774 -3.722 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.554 -5.805 5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.389 -4.654 5.906 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.301 -4.255 7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.118 -7.307 6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.648 -8.254 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.956 -5.484 9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.678 -7.228 9.492 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.799 -0.742 3.467 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.024 -0.758 2.266 1.00 0.00 C ATOM 1051 C LEU A 62 -1.607 -1.043 2.690 1.00 0.00 C ATOM 1052 O LEU A 62 -1.104 -0.423 3.614 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.174 0.593 1.503 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.412 0.778 0.163 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.033 1.912 -0.633 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -0.940 1.109 0.397 1.00 0.00 C ATOM 0 H LEU A 62 -3.325 -0.296 4.252 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.359 -1.522 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.235 0.745 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.858 1.390 2.176 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.484 -0.162 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.493 2.036 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.077 1.680 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.975 2.835 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.438 1.232 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.861 2.034 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.469 0.298 0.952 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.002 -2.006 2.079 1.00 0.00 N ATOM 1069 CA VAL A 63 0.338 -2.407 2.432 1.00 0.00 C ATOM 1070 C VAL A 63 1.225 -2.066 1.266 1.00 0.00 C ATOM 1071 O VAL A 63 0.842 -2.316 0.131 1.00 0.00 O ATOM 1072 CB VAL A 63 0.420 -3.937 2.666 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.725 -4.317 3.342 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.780 -4.452 3.447 1.00 0.00 C ATOM 0 H VAL A 63 -1.415 -2.545 1.318 1.00 0.00 H new ATOM 0 HA VAL A 63 0.640 -1.899 3.348 1.00 0.00 H new ATOM 0 HB VAL A 63 0.398 -4.419 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.755 -5.396 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.562 -4.015 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.796 -3.813 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.686 -5.528 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.821 -3.958 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.694 -4.239 2.892 1.00 0.00 H new ATOM 1084 N TYR A 64 2.371 -1.492 1.516 1.00 0.00 N ATOM 1085 CA TYR A 64 3.264 -1.126 0.443 1.00 0.00 C ATOM 1086 C TYR A 64 4.701 -1.277 0.883 1.00 0.00 C ATOM 1087 O TYR A 64 4.978 -1.437 2.062 1.00 0.00 O ATOM 1088 CB TYR A 64 3.003 0.327 -0.030 1.00 0.00 C ATOM 1089 CG TYR A 64 3.297 1.409 1.003 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.394 1.701 2.015 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.480 2.143 0.956 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.658 2.681 2.944 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.743 3.127 1.887 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.825 3.390 2.876 1.00 0.00 C ATOM 1095 OH TYR A 64 4.077 4.369 3.805 1.00 0.00 O ATOM 0 H TYR A 64 2.711 -1.267 2.451 1.00 0.00 H new ATOM 0 HA TYR A 64 3.075 -1.797 -0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.609 0.518 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.960 0.411 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.467 1.149 2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.202 1.939 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.944 2.890 3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.665 3.687 1.839 1.00 0.00 H new ATOM 0 HH TYR A 64 5.032 4.589 3.797 1.00 0.00 H new ATOM 1105 N GLN A 65 5.587 -1.245 -0.056 1.00 0.00 N ATOM 1106 CA GLN A 65 6.991 -1.273 0.200 1.00 0.00 C ATOM 1107 C GLN A 65 7.609 -0.075 -0.460 1.00 0.00 C ATOM 1108 O GLN A 65 7.189 0.334 -1.559 1.00 0.00 O ATOM 1109 CB GLN A 65 7.634 -2.566 -0.315 1.00 0.00 C ATOM 1110 CG GLN A 65 9.168 -2.576 -0.214 1.00 0.00 C ATOM 1111 CD GLN A 65 9.794 -3.875 -0.651 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.903 -3.894 -1.189 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.138 -4.960 -0.371 1.00 0.00 N ATOM 0 H GLN A 65 5.350 -1.198 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 65 7.163 -1.244 1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.236 -3.409 0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.346 -2.715 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.569 -1.766 -0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.457 -2.372 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.222 -4.902 0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.538 -5.871 -0.597 1.00 0.00 H new ATOM 1122 N VAL A 66 8.566 0.496 0.195 1.00 0.00 N ATOM 1123 CA VAL A 66 9.242 1.640 -0.329 1.00 0.00 C ATOM 1124 C VAL A 66 10.491 1.186 -1.028 1.00 0.00 C ATOM 1125 O VAL A 66 11.448 0.731 -0.390 1.00 0.00 O ATOM 1126 CB VAL A 66 9.603 2.662 0.774 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.328 3.873 0.189 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.351 3.104 1.477 1.00 0.00 C ATOM 0 H VAL A 66 8.902 0.185 1.106 1.00 0.00 H new ATOM 0 HA VAL A 66 8.571 2.142 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 66 10.274 2.180 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.569 4.574 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.248 3.547 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.686 4.363 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.605 3.824 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.675 3.569 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.863 2.240 1.928 1.00 0.00 H new ATOM 1138 N ILE A 67 10.469 1.236 -2.319 1.00 0.00 N ATOM 1139 CA ILE A 67 11.624 0.882 -3.069 1.00 0.00 C ATOM 1140 C ILE A 67 12.314 2.171 -3.400 1.00 0.00 C ATOM 1141 O ILE A 67 11.864 2.910 -4.265 1.00 0.00 O ATOM 1142 CB ILE A 67 11.250 0.159 -4.381 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.282 -1.008 -4.104 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.514 -0.353 -5.058 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.837 -1.757 -5.348 1.00 0.00 C ATOM 0 H ILE A 67 9.662 1.519 -2.875 1.00 0.00 H new ATOM 0 HA ILE A 67 12.254 0.203 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 67 10.748 0.865 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.763 -1.710 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.401 -0.621 -3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.250 -0.863 -5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.173 0.486 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.026 -1.049 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.158 -2.562 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.325 -1.071 -6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.708 -2.177 -5.851 1.00 0.00 H new ATOM 1157 N ASP A 68 13.381 2.458 -2.734 1.00 0.00 N ATOM 1158 CA ASP A 68 14.019 3.736 -2.921 1.00 0.00 C ATOM 1159 C ASP A 68 14.907 3.714 -4.140 1.00 0.00 C ATOM 1160 O ASP A 68 15.013 4.705 -4.853 1.00 0.00 O ATOM 1161 CB ASP A 68 14.793 4.174 -1.682 1.00 0.00 C ATOM 1162 CG ASP A 68 15.250 5.612 -1.788 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.434 6.528 -1.501 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.409 5.865 -2.164 1.00 0.00 O ATOM 0 H ASP A 68 13.833 1.839 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 68 13.234 4.475 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.164 4.056 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.659 3.526 -1.546 1.00 0.00 H new ATOM 1169 N GLU A 69 15.493 2.559 -4.424 1.00 0.00 N ATOM 1170 CA GLU A 69 16.362 2.402 -5.592 1.00 0.00 C ATOM 1171 C GLU A 69 15.608 2.670 -6.906 1.00 0.00 C ATOM 1172 O GLU A 69 16.160 3.234 -7.843 1.00 0.00 O ATOM 1173 CB GLU A 69 17.014 1.017 -5.634 1.00 0.00 C ATOM 1174 CG GLU A 69 16.030 -0.132 -5.552 1.00 0.00 C ATOM 1175 CD GLU A 69 16.605 -1.420 -6.042 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.359 -2.065 -5.314 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.320 -1.793 -7.196 1.00 0.00 O ATOM 0 H GLU A 69 15.385 1.714 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 69 17.150 3.148 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.588 0.925 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.722 0.935 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.705 -0.254 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.144 0.112 -6.138 1.00 0.00 H new ATOM 1184 N LYS A 70 14.341 2.292 -6.951 1.00 0.00 N ATOM 1185 CA LYS A 70 13.527 2.492 -8.143 1.00 0.00 C ATOM 1186 C LYS A 70 12.636 3.709 -7.959 1.00 0.00 C ATOM 1187 O LYS A 70 11.904 4.094 -8.869 1.00 0.00 O ATOM 1188 CB LYS A 70 12.667 1.256 -8.424 1.00 0.00 C ATOM 1189 CG LYS A 70 13.473 -0.012 -8.588 1.00 0.00 C ATOM 1190 CD LYS A 70 12.603 -1.217 -8.854 1.00 0.00 C ATOM 1191 CE LYS A 70 13.425 -2.494 -8.795 1.00 0.00 C ATOM 1192 NZ LYS A 70 14.564 -2.485 -9.741 1.00 0.00 N ATOM 0 H LYS A 70 13.852 1.844 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 70 14.190 2.653 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.957 1.123 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.084 1.427 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.178 0.113 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.062 -0.184 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.799 -1.261 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.134 -1.125 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.801 -2.633 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.782 -3.346 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.652 -3.420 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.400 -1.766 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.440 -2.262 -9.227 1.00 0.00 H new ATOM 1206 N VAL A 71 12.740 4.293 -6.766 1.00 0.00 N ATOM 1207 CA VAL A 71 11.962 5.445 -6.297 1.00 0.00 C ATOM 1208 C VAL A 71 10.485 5.242 -6.571 1.00 0.00 C ATOM 1209 O VAL A 71 9.922 5.839 -7.476 1.00 0.00 O ATOM 1210 CB VAL A 71 12.399 6.803 -6.896 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.910 7.922 -6.013 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.891 6.885 -7.081 1.00 0.00 C ATOM 0 H VAL A 71 13.401 3.961 -6.064 1.00 0.00 H new ATOM 0 HA VAL A 71 12.157 5.495 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 71 11.952 6.897 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.218 8.879 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.822 7.886 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.336 7.811 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.152 7.855 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.384 6.765 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.218 6.095 -7.757 1.00 0.00 H new ATOM 1222 N VAL A 72 9.869 4.380 -5.825 1.00 0.00 N ATOM 1223 CA VAL A 72 8.508 4.049 -6.074 1.00 0.00 C ATOM 1224 C VAL A 72 7.842 3.471 -4.834 1.00 0.00 C ATOM 1225 O VAL A 72 8.490 2.798 -4.006 1.00 0.00 O ATOM 1226 CB VAL A 72 8.399 3.048 -7.271 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.173 1.764 -7.012 1.00 0.00 C ATOM 1228 CG2 VAL A 72 6.963 2.735 -7.593 1.00 0.00 C ATOM 0 H VAL A 72 10.292 3.892 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 72 7.984 4.968 -6.336 1.00 0.00 H new ATOM 0 HB VAL A 72 8.848 3.540 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.070 1.098 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.226 1.999 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.778 1.274 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.921 2.037 -8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.484 2.287 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.442 3.654 -7.861 1.00 0.00 H new ATOM 1238 N VAL A 73 6.582 3.782 -4.692 1.00 0.00 N ATOM 1239 CA VAL A 73 5.753 3.228 -3.677 1.00 0.00 C ATOM 1240 C VAL A 73 5.030 2.066 -4.306 1.00 0.00 C ATOM 1241 O VAL A 73 4.101 2.250 -5.101 1.00 0.00 O ATOM 1242 CB VAL A 73 4.741 4.270 -3.157 1.00 0.00 C ATOM 1243 CG1 VAL A 73 3.824 3.681 -2.096 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.485 5.465 -2.615 1.00 0.00 C ATOM 0 H VAL A 73 6.099 4.445 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 73 6.349 2.912 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 73 4.110 4.582 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.125 4.445 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.268 2.844 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.420 3.331 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.771 6.202 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.134 5.150 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.088 5.908 -3.407 1.00 0.00 H new ATOM 1254 N PHE A 74 5.503 0.897 -4.022 1.00 0.00 N ATOM 1255 CA PHE A 74 4.960 -0.288 -4.601 1.00 0.00 C ATOM 1256 C PHE A 74 3.917 -0.889 -3.684 1.00 0.00 C ATOM 1257 O PHE A 74 4.239 -1.489 -2.665 1.00 0.00 O ATOM 1258 CB PHE A 74 6.089 -1.278 -4.938 1.00 0.00 C ATOM 1259 CG PHE A 74 5.636 -2.619 -5.451 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.586 -2.725 -6.349 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.270 -3.775 -5.034 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.179 -3.951 -6.809 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.866 -5.008 -5.497 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.816 -5.094 -6.386 1.00 0.00 C ATOM 0 H PHE A 74 6.279 0.736 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 74 4.458 -0.041 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.739 -0.822 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.692 -1.434 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.083 -1.832 -6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.092 -3.710 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.356 -4.019 -7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.370 -5.904 -5.165 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.494 -6.058 -6.750 1.00 0.00 H new ATOM 1274 N VAL A 75 2.681 -0.674 -4.027 1.00 0.00 N ATOM 1275 CA VAL A 75 1.575 -1.183 -3.275 1.00 0.00 C ATOM 1276 C VAL A 75 1.417 -2.671 -3.540 1.00 0.00 C ATOM 1277 O VAL A 75 1.230 -3.106 -4.683 1.00 0.00 O ATOM 1278 CB VAL A 75 0.268 -0.439 -3.599 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.865 -0.953 -2.730 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.447 1.065 -3.415 1.00 0.00 C ATOM 0 H VAL A 75 2.410 -0.133 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 75 1.785 -1.021 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 75 0.014 -0.628 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.782 -0.416 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.009 -2.018 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.619 -0.795 -1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.488 1.574 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.726 1.275 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.231 1.422 -4.082 1.00 0.00 H new ATOM 1290 N ILE A 76 1.511 -3.415 -2.480 1.00 0.00 N ATOM 1291 CA ILE A 76 1.481 -4.851 -2.491 1.00 0.00 C ATOM 1292 C ILE A 76 0.044 -5.365 -2.431 1.00 0.00 C ATOM 1293 O ILE A 76 -0.367 -6.195 -3.241 1.00 0.00 O ATOM 1294 CB ILE A 76 2.223 -5.387 -1.240 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.645 -4.798 -1.130 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.264 -6.911 -1.239 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.584 -5.199 -2.246 1.00 0.00 C ATOM 0 H ILE A 76 1.615 -3.024 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 76 1.956 -5.193 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 76 1.663 -5.062 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.572 -3.711 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.079 -5.108 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.790 -7.260 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.247 -7.302 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.785 -7.262 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.559 -4.738 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.693 -6.283 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.178 -4.865 -3.201 1.00 0.00 H new ATOM 1309 N SER A 77 -0.708 -4.884 -1.456 1.00 0.00 N ATOM 1310 CA SER A 77 -2.056 -5.367 -1.215 1.00 0.00 C ATOM 1311 C SER A 77 -2.971 -4.220 -0.817 1.00 0.00 C ATOM 1312 O SER A 77 -2.534 -3.271 -0.154 1.00 0.00 O ATOM 1313 CB SER A 77 -2.023 -6.410 -0.094 1.00 0.00 C ATOM 1314 OG SER A 77 -1.080 -7.425 -0.388 1.00 0.00 O ATOM 0 H SER A 77 -0.404 -4.153 -0.813 1.00 0.00 H new ATOM 0 HA SER A 77 -2.441 -5.816 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.766 -5.930 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.012 -6.850 0.031 1.00 0.00 H new ATOM 0 HG SER A 77 -0.714 -7.783 0.447 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.213 -4.304 -1.224 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.214 -3.293 -0.925 1.00 0.00 C ATOM 1322 C VAL A 78 -6.499 -3.970 -0.417 1.00 0.00 C ATOM 1323 O VAL A 78 -6.905 -4.999 -0.945 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.571 -2.477 -2.214 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.622 -1.437 -1.927 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.349 -1.819 -2.823 1.00 0.00 C ATOM 0 H VAL A 78 -4.568 -5.083 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.807 -2.625 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.968 -3.190 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.849 -0.887 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.526 -1.924 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.253 -0.746 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.641 -1.264 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.905 -1.136 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.621 -2.584 -3.094 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.096 -3.450 0.637 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.396 -3.942 1.034 1.00 0.00 C ATOM 1338 C GLY A 79 -8.458 -4.298 2.485 1.00 0.00 C ATOM 1339 O GLY A 79 -7.614 -3.873 3.273 1.00 0.00 O ATOM 0 H GLY A 79 -6.713 -2.706 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.149 -3.184 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.646 -4.819 0.437 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.465 -5.042 2.862 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.570 -5.512 4.213 1.00 0.00 C ATOM 1345 C LYS A 80 -9.142 -6.938 4.287 1.00 0.00 C ATOM 1346 O LYS A 80 -9.826 -7.834 3.788 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.985 -5.380 4.812 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.469 -3.958 4.986 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.751 -3.825 5.848 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.992 -4.528 5.279 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.955 -5.999 5.421 1.00 0.00 N ATOM 0 H LYS A 80 -10.225 -5.335 2.248 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.915 -4.873 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.687 -5.912 4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.001 -5.876 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.674 -3.369 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.659 -3.528 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.547 -4.228 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.978 -2.766 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.879 -4.145 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.091 -4.275 4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.763 -6.432 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.204 -6.264 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.872 -6.336 5.778 1.00 0.00 H new ATOM 1715 N GLU B 54 -2.156 -8.477 13.254 1.00 0.00 N ATOM 1716 CA GLU B 54 -2.572 -8.403 11.862 1.00 0.00 C ATOM 1717 C GLU B 54 -1.355 -8.289 10.933 1.00 0.00 C ATOM 1718 O GLU B 54 -1.336 -8.844 9.862 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.532 -7.223 11.637 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.998 -5.874 12.106 1.00 0.00 C ATOM 1721 CD GLU B 54 -3.906 -4.723 11.752 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -4.993 -4.599 12.344 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -3.533 -3.902 10.879 1.00 0.00 O ATOM 0 HA GLU B 54 -3.102 -9.325 11.622 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.764 -7.158 10.574 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.468 -7.429 12.156 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -2.859 -5.901 13.187 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -2.017 -5.704 11.663 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.312 -7.624 11.400 1.00 0.00 N ATOM 1731 CA ASP B 55 0.897 -7.411 10.613 1.00 0.00 C ATOM 1732 C ASP B 55 1.670 -8.678 10.396 1.00 0.00 C ATOM 1733 O ASP B 55 2.478 -8.765 9.476 1.00 0.00 O ATOM 1734 CB ASP B 55 1.765 -6.351 11.238 1.00 0.00 C ATOM 1735 CG ASP B 55 1.035 -5.064 11.292 1.00 0.00 C ATOM 1736 OD1 ASP B 55 1.069 -4.325 10.335 1.00 0.00 O ATOM 1737 OD2 ASP B 55 0.350 -4.804 12.284 1.00 0.00 O ATOM 0 H ASP B 55 -0.277 -7.216 12.334 1.00 0.00 H new ATOM 0 HA ASP B 55 0.578 -7.063 9.630 1.00 0.00 H new ATOM 0 HB2 ASP B 55 2.057 -6.655 12.243 1.00 0.00 H new ATOM 0 HB3 ASP B 55 2.682 -6.234 10.661 1.00 0.00 H new ATOM 1742 N ALA B 56 1.394 -9.678 11.206 1.00 0.00 N ATOM 1743 CA ALA B 56 2.012 -10.984 11.035 1.00 0.00 C ATOM 1744 C ALA B 56 1.426 -11.647 9.786 1.00 0.00 C ATOM 1745 O ALA B 56 2.022 -12.544 9.196 1.00 0.00 O ATOM 1746 CB ALA B 56 1.798 -11.851 12.264 1.00 0.00 C ATOM 0 H ALA B 56 0.746 -9.616 11.991 1.00 0.00 H new ATOM 0 HA ALA B 56 3.088 -10.864 10.910 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.269 -12.822 12.111 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.241 -11.365 13.133 1.00 0.00 H new ATOM 0 HB3 ALA B 56 0.730 -11.989 12.431 1.00 0.00 H new ATOM 1752 N GLU B 57 0.260 -11.169 9.394 1.00 0.00 N ATOM 1753 CA GLU B 57 -0.407 -11.596 8.197 1.00 0.00 C ATOM 1754 C GLU B 57 0.144 -10.782 7.019 1.00 0.00 C ATOM 1755 O GLU B 57 0.459 -11.321 5.967 1.00 0.00 O ATOM 1756 CB GLU B 57 -1.909 -11.359 8.337 1.00 0.00 C ATOM 1757 CG GLU B 57 -2.702 -11.696 7.085 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.132 -11.227 7.141 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -4.360 -10.010 7.169 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -5.047 -12.072 7.126 1.00 0.00 O ATOM 0 H GLU B 57 -0.253 -10.459 9.916 1.00 0.00 H new ATOM 0 HA GLU B 57 -0.234 -12.659 8.026 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -2.286 -11.957 9.167 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.080 -10.314 8.594 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -2.213 -11.246 6.221 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -2.687 -12.775 6.933 1.00 0.00 H new ATOM 1767 N LEU B 58 0.294 -9.481 7.227 1.00 0.00 N ATOM 1768 CA LEU B 58 0.818 -8.586 6.184 1.00 0.00 C ATOM 1769 C LEU B 58 2.196 -9.005 5.703 1.00 0.00 C ATOM 1770 O LEU B 58 2.469 -8.960 4.508 1.00 0.00 O ATOM 1771 CB LEU B 58 0.842 -7.099 6.617 1.00 0.00 C ATOM 1772 CG LEU B 58 -0.502 -6.327 6.621 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -1.502 -6.937 7.543 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -0.290 -4.880 6.998 1.00 0.00 C ATOM 0 H LEU B 58 0.063 -9.015 8.104 1.00 0.00 H new ATOM 0 HA LEU B 58 0.118 -8.679 5.354 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.260 -7.049 7.622 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.531 -6.569 5.959 1.00 0.00 H new ATOM 0 HG LEU B 58 -0.897 -6.387 5.607 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -2.426 -6.360 7.510 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -1.703 -7.963 7.234 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -1.109 -6.935 8.560 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -1.247 -4.359 6.994 1.00 0.00 H new ATOM 0 HD22 LEU B 58 0.149 -4.824 7.994 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.381 -4.411 6.279 1.00 0.00 H new ATOM 1786 N VAL B 59 3.049 -9.448 6.622 1.00 0.00 N ATOM 1787 CA VAL B 59 4.400 -9.846 6.249 1.00 0.00 C ATOM 1788 C VAL B 59 4.425 -11.113 5.396 1.00 0.00 C ATOM 1789 O VAL B 59 5.301 -11.270 4.548 1.00 0.00 O ATOM 1790 CB VAL B 59 5.360 -9.990 7.452 1.00 0.00 C ATOM 1791 CG1 VAL B 59 5.448 -8.689 8.222 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.968 -11.152 8.354 1.00 0.00 C ATOM 0 H VAL B 59 2.833 -9.539 7.615 1.00 0.00 H new ATOM 0 HA VAL B 59 4.769 -9.019 5.643 1.00 0.00 H new ATOM 0 HB VAL B 59 6.352 -10.218 7.062 1.00 0.00 H new ATOM 0 HG11 VAL B 59 6.128 -8.810 9.065 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.820 -7.902 7.566 1.00 0.00 H new ATOM 0 HG13 VAL B 59 4.459 -8.417 8.590 1.00 0.00 H new ATOM 0 HG21 VAL B 59 5.668 -11.218 9.187 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.961 -10.991 8.738 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.994 -12.080 7.783 1.00 0.00 H new ATOM 1802 N GLU B 60 3.456 -11.997 5.583 1.00 0.00 N ATOM 1803 CA GLU B 60 3.436 -13.201 4.796 1.00 0.00 C ATOM 1804 C GLU B 60 2.825 -12.930 3.421 1.00 0.00 C ATOM 1805 O GLU B 60 3.292 -13.452 2.417 1.00 0.00 O ATOM 1806 CB GLU B 60 2.759 -14.384 5.516 1.00 0.00 C ATOM 1807 CG GLU B 60 1.312 -14.169 5.898 1.00 0.00 C ATOM 1808 CD GLU B 60 0.663 -15.401 6.455 1.00 0.00 C ATOM 1809 OE1 GLU B 60 0.119 -16.200 5.671 1.00 0.00 O ATOM 1810 OE2 GLU B 60 0.671 -15.606 7.693 1.00 0.00 O ATOM 0 H GLU B 60 2.696 -11.900 6.256 1.00 0.00 H new ATOM 0 HA GLU B 60 4.471 -13.511 4.652 1.00 0.00 H new ATOM 0 HB2 GLU B 60 2.821 -15.262 4.873 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.326 -14.610 6.419 1.00 0.00 H new ATOM 0 HG2 GLU B 60 1.252 -13.369 6.635 1.00 0.00 H new ATOM 0 HG3 GLU B 60 0.756 -13.837 5.021 1.00 0.00 H new ATOM 1817 N ILE B 61 1.824 -12.054 3.378 1.00 0.00 N ATOM 1818 CA ILE B 61 1.174 -11.704 2.118 1.00 0.00 C ATOM 1819 C ILE B 61 2.136 -10.919 1.214 1.00 0.00 C ATOM 1820 O ILE B 61 2.151 -11.090 -0.013 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.129 -10.886 2.338 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.129 -11.676 3.192 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -0.767 -10.500 0.996 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -2.419 -10.932 3.490 1.00 0.00 C ATOM 0 H ILE B 61 1.447 -11.576 4.196 1.00 0.00 H new ATOM 0 HA ILE B 61 0.901 -12.640 1.630 1.00 0.00 H new ATOM 0 HB ILE B 61 0.136 -9.972 2.869 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.370 -12.608 2.680 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -0.652 -11.945 4.134 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -1.677 -9.928 1.177 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.066 -9.894 0.421 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.011 -11.403 0.436 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.070 -11.561 4.098 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.193 -10.014 4.032 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.922 -10.687 2.555 1.00 0.00 H new ATOM 1836 N VAL B 62 2.965 -10.083 1.812 1.00 0.00 N ATOM 1837 CA VAL B 62 3.906 -9.319 1.026 1.00 0.00 C ATOM 1838 C VAL B 62 4.974 -10.223 0.423 1.00 0.00 C ATOM 1839 O VAL B 62 5.258 -10.134 -0.762 1.00 0.00 O ATOM 1840 CB VAL B 62 4.534 -8.085 1.786 1.00 0.00 C ATOM 1841 CG1 VAL B 62 5.296 -8.504 3.018 1.00 0.00 C ATOM 1842 CG2 VAL B 62 5.442 -7.276 0.870 1.00 0.00 C ATOM 0 H VAL B 62 3.004 -9.920 2.818 1.00 0.00 H new ATOM 0 HA VAL B 62 3.329 -8.879 0.213 1.00 0.00 H new ATOM 0 HB VAL B 62 3.699 -7.459 2.101 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.710 -7.622 3.507 1.00 0.00 H new ATOM 0 HG12 VAL B 62 4.623 -9.018 3.705 1.00 0.00 H new ATOM 0 HG13 VAL B 62 6.107 -9.175 2.734 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.859 -6.434 1.422 1.00 0.00 H new ATOM 0 HG22 VAL B 62 6.252 -7.910 0.509 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.866 -6.905 0.022 1.00 0.00 H new ATOM 1852 N LYS B 63 5.478 -11.161 1.210 1.00 0.00 N ATOM 1853 CA LYS B 63 6.546 -12.025 0.750 1.00 0.00 C ATOM 1854 C LYS B 63 6.026 -13.061 -0.255 1.00 0.00 C ATOM 1855 O LYS B 63 6.783 -13.548 -1.098 1.00 0.00 O ATOM 1856 CB LYS B 63 7.256 -12.702 1.932 1.00 0.00 C ATOM 1857 CG LYS B 63 6.420 -13.740 2.663 1.00 0.00 C ATOM 1858 CD LYS B 63 7.090 -14.236 3.935 1.00 0.00 C ATOM 1859 CE LYS B 63 8.490 -14.770 3.666 1.00 0.00 C ATOM 1860 NZ LYS B 63 9.077 -15.383 4.866 1.00 0.00 N ATOM 0 H LYS B 63 5.165 -11.340 2.164 1.00 0.00 H new ATOM 0 HA LYS B 63 7.279 -11.405 0.234 1.00 0.00 H new ATOM 0 HB2 LYS B 63 8.166 -13.179 1.567 1.00 0.00 H new ATOM 0 HB3 LYS B 63 7.561 -11.934 2.643 1.00 0.00 H new ATOM 0 HG2 LYS B 63 5.449 -13.311 2.911 1.00 0.00 H new ATOM 0 HG3 LYS B 63 6.235 -14.585 2.000 1.00 0.00 H new ATOM 0 HD2 LYS B 63 7.144 -13.422 4.658 1.00 0.00 H new ATOM 0 HD3 LYS B 63 6.482 -15.021 4.384 1.00 0.00 H new ATOM 0 HE2 LYS B 63 8.451 -15.506 2.863 1.00 0.00 H new ATOM 0 HE3 LYS B 63 9.130 -13.957 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 10.030 -15.735 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 9.137 -14.674 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 8.479 -16.174 5.179 1.00 0.00 H new ATOM 1874 N GLU B 64 4.729 -13.370 -0.181 1.00 0.00 N ATOM 1875 CA GLU B 64 4.138 -14.337 -1.082 1.00 0.00 C ATOM 1876 C GLU B 64 3.904 -13.718 -2.459 1.00 0.00 C ATOM 1877 O GLU B 64 4.020 -14.384 -3.469 1.00 0.00 O ATOM 1878 CB GLU B 64 2.856 -14.959 -0.504 1.00 0.00 C ATOM 1879 CG GLU B 64 1.671 -14.050 -0.484 1.00 0.00 C ATOM 1880 CD GLU B 64 0.430 -14.696 0.093 1.00 0.00 C ATOM 1881 OE1 GLU B 64 0.323 -14.839 1.327 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -0.463 -15.104 -0.681 1.00 0.00 O ATOM 0 H GLU B 64 4.080 -12.963 0.492 1.00 0.00 H new ATOM 0 HA GLU B 64 4.847 -15.156 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU B 64 2.606 -15.846 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU B 64 3.058 -15.292 0.514 1.00 0.00 H new ATOM 0 HG2 GLU B 64 1.914 -13.161 0.098 1.00 0.00 H new ATOM 0 HG3 GLU B 64 1.460 -13.717 -1.500 1.00 0.00 H new ATOM 1889 N ARG B 65 3.598 -12.434 -2.488 1.00 0.00 N ATOM 1890 CA ARG B 65 3.425 -11.747 -3.758 1.00 0.00 C ATOM 1891 C ARG B 65 4.762 -11.254 -4.283 1.00 0.00 C ATOM 1892 O ARG B 65 4.984 -11.218 -5.475 1.00 0.00 O ATOM 1893 CB ARG B 65 2.432 -10.575 -3.658 1.00 0.00 C ATOM 1894 CG ARG B 65 1.011 -10.994 -3.319 1.00 0.00 C ATOM 1895 CD ARG B 65 0.058 -9.803 -3.323 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.314 -10.201 -2.953 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.375 -9.380 -2.879 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -2.276 -8.105 -3.245 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -3.540 -9.844 -2.463 1.00 0.00 N ATOM 0 H ARG B 65 3.465 -11.852 -1.661 1.00 0.00 H new ATOM 0 HA ARG B 65 3.007 -12.471 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.785 -9.877 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.425 -10.037 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG B 65 0.669 -11.737 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG B 65 0.996 -11.470 -2.338 1.00 0.00 H new ATOM 0 HD2 ARG B 65 0.418 -9.046 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG B 65 0.050 -9.346 -4.313 1.00 0.00 H new ATOM 0 HE ARG B 65 -1.470 -11.185 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -1.387 -7.740 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.089 -7.492 -3.184 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -3.633 -10.825 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.346 -9.222 -2.406 1.00 0.00 H new ATOM 1913 N LEU B 66 5.685 -10.969 -3.369 1.00 0.00 N ATOM 1914 CA LEU B 66 6.995 -10.386 -3.704 1.00 0.00 C ATOM 1915 C LEU B 66 7.881 -11.370 -4.480 1.00 0.00 C ATOM 1916 O LEU B 66 8.932 -10.996 -5.022 1.00 0.00 O ATOM 1917 CB LEU B 66 7.706 -9.968 -2.419 1.00 0.00 C ATOM 1918 CG LEU B 66 8.917 -9.051 -2.560 1.00 0.00 C ATOM 1919 CD1 LEU B 66 8.512 -7.741 -3.219 1.00 0.00 C ATOM 1920 CD2 LEU B 66 9.526 -8.792 -1.196 1.00 0.00 C ATOM 0 H LEU B 66 5.552 -11.133 -2.371 1.00 0.00 H new ATOM 0 HA LEU B 66 6.821 -9.520 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.979 -9.471 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU B 66 8.025 -10.872 -1.900 1.00 0.00 H new ATOM 0 HG LEU B 66 9.661 -9.538 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU B 66 9.386 -7.096 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU B 66 8.101 -7.943 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.758 -7.244 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU B 66 10.391 -8.137 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU B 66 8.787 -8.316 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU B 66 9.839 -9.737 -0.752 1.00 0.00 H new ATOM 1932 N ARG B 67 7.471 -12.613 -4.520 1.00 0.00 N ATOM 1933 CA ARG B 67 8.221 -13.639 -5.205 1.00 0.00 C ATOM 1934 C ARG B 67 8.018 -13.537 -6.715 1.00 0.00 C ATOM 1935 O ARG B 67 8.892 -13.915 -7.492 1.00 0.00 O ATOM 1936 CB ARG B 67 7.849 -15.031 -4.673 1.00 0.00 C ATOM 1937 CG ARG B 67 6.433 -15.491 -4.985 1.00 0.00 C ATOM 1938 CD ARG B 67 6.078 -16.746 -4.205 1.00 0.00 C ATOM 1939 NE ARG B 67 7.055 -17.813 -4.409 1.00 0.00 N ATOM 1940 CZ ARG B 67 7.100 -18.957 -3.731 1.00 0.00 C ATOM 1941 NH1 ARG B 67 6.203 -19.221 -2.775 1.00 0.00 N ATOM 1942 NH2 ARG B 67 8.062 -19.835 -4.002 1.00 0.00 N ATOM 0 H ARG B 67 6.611 -12.943 -4.081 1.00 0.00 H new ATOM 0 HA ARG B 67 9.282 -13.486 -5.006 1.00 0.00 H new ATOM 0 HB2 ARG B 67 8.548 -15.758 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG B 67 7.985 -15.036 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG B 67 5.728 -14.696 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG B 67 6.338 -15.685 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG B 67 6.018 -16.508 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG B 67 5.091 -17.095 -4.510 1.00 0.00 H new ATOM 0 HE ARG B 67 7.761 -17.669 -5.131 1.00 0.00 H new ATOM 0 HH11 ARG B 67 5.474 -18.542 -2.558 1.00 0.00 H new ATOM 0 HH12 ARG B 67 6.248 -20.102 -2.262 1.00 0.00 H new ATOM 0 HH21 ARG B 67 8.754 -19.627 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG B 67 8.108 -20.716 -3.490 1.00 0.00 H new ATOM 1956 N ASN B 68 6.873 -13.009 -7.110 1.00 0.00 N ATOM 1957 CA ASN B 68 6.530 -12.807 -8.498 1.00 0.00 C ATOM 1958 C ASN B 68 5.375 -11.793 -8.548 1.00 0.00 C ATOM 1959 O ASN B 68 4.205 -12.167 -8.658 1.00 0.00 O ATOM 1960 CB ASN B 68 6.113 -14.131 -9.131 1.00 0.00 C ATOM 1961 CG ASN B 68 5.808 -14.017 -10.597 1.00 0.00 C ATOM 1962 OD1 ASN B 68 6.401 -13.212 -11.322 1.00 0.00 O ATOM 1963 ND2 ASN B 68 4.887 -14.806 -11.047 1.00 0.00 N ATOM 0 H ASN B 68 6.147 -12.705 -6.461 1.00 0.00 H new ATOM 0 HA ASN B 68 7.386 -12.428 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN B 68 6.910 -14.861 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN B 68 5.234 -14.513 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN B 68 4.628 -14.777 -12.033 1.00 0.00 H new ATOM 0 HD22 ASN B 68 4.420 -15.457 -10.416 1.00 0.00 H new ATOM 1970 N PRO B 69 5.687 -10.506 -8.369 1.00 0.00 N ATOM 1971 CA PRO B 69 4.679 -9.459 -8.226 1.00 0.00 C ATOM 1972 C PRO B 69 4.105 -8.899 -9.538 1.00 0.00 C ATOM 1973 O PRO B 69 2.899 -9.026 -9.797 1.00 0.00 O ATOM 1974 CB PRO B 69 5.421 -8.346 -7.461 1.00 0.00 C ATOM 1975 CG PRO B 69 6.848 -8.797 -7.320 1.00 0.00 C ATOM 1976 CD PRO B 69 7.038 -9.965 -8.236 1.00 0.00 C ATOM 0 HA PRO B 69 3.800 -9.866 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO B 69 5.365 -7.401 -8.002 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.969 -8.181 -6.483 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.533 -7.990 -7.579 1.00 0.00 H new ATOM 0 HG3 PRO B 69 7.062 -9.078 -6.289 1.00 0.00 H new ATOM 0 HD2 PRO B 69 7.446 -9.659 -9.199 1.00 0.00 H new ATOM 0 HD3 PRO B 69 7.726 -10.699 -7.816 1.00 0.00 H new ATOM 1984 N LYS B 70 4.985 -8.347 -10.377 1.00 0.00 N ATOM 1985 CA LYS B 70 4.611 -7.567 -11.569 1.00 0.00 C ATOM 1986 C LYS B 70 4.033 -6.219 -11.178 1.00 0.00 C ATOM 1987 O LYS B 70 2.816 -6.057 -11.080 1.00 0.00 O ATOM 1988 CB LYS B 70 3.676 -8.277 -12.595 1.00 0.00 C ATOM 1989 CG LYS B 70 4.341 -9.266 -13.544 1.00 0.00 C ATOM 1990 CD LYS B 70 4.871 -10.491 -12.848 1.00 0.00 C ATOM 1991 CE LYS B 70 5.535 -11.428 -13.840 1.00 0.00 C ATOM 1992 NZ LYS B 70 4.597 -11.898 -14.886 1.00 0.00 N ATOM 0 H LYS B 70 5.994 -8.428 -10.249 1.00 0.00 H new ATOM 0 HA LYS B 70 5.555 -7.441 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.899 -8.804 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS B 70 3.179 -7.512 -13.192 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.621 -9.571 -14.304 1.00 0.00 H new ATOM 0 HG3 LYS B 70 5.160 -8.768 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS B 70 5.588 -10.198 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS B 70 4.056 -11.008 -12.341 1.00 0.00 H new ATOM 0 HE2 LYS B 70 6.375 -10.918 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS B 70 5.942 -12.288 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 5.009 -12.715 -15.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 3.697 -12.177 -14.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 4.425 -11.132 -15.568 1.00 0.00 H new ATOM 2006 N PRO B 71 4.897 -5.246 -10.876 1.00 0.00 N ATOM 2007 CA PRO B 71 4.457 -3.911 -10.574 1.00 0.00 C ATOM 2008 C PRO B 71 4.158 -3.148 -11.856 1.00 0.00 C ATOM 2009 O PRO B 71 4.896 -3.259 -12.856 1.00 0.00 O ATOM 2010 CB PRO B 71 5.628 -3.287 -9.819 1.00 0.00 C ATOM 2011 CG PRO B 71 6.837 -4.086 -10.187 1.00 0.00 C ATOM 2012 CD PRO B 71 6.364 -5.378 -10.808 1.00 0.00 C ATOM 0 HA PRO B 71 3.538 -3.892 -9.989 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.755 -2.240 -10.095 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.456 -3.315 -8.743 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.463 -3.532 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.446 -4.286 -9.305 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.795 -5.522 -11.799 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.657 -6.238 -10.205 1.00 0.00 H new ATOM 2020 N VAL B 72 3.081 -2.443 -11.853 1.00 0.00 N ATOM 2021 CA VAL B 72 2.657 -1.696 -12.997 1.00 0.00 C ATOM 2022 C VAL B 72 2.817 -0.218 -12.710 1.00 0.00 C ATOM 2023 O VAL B 72 2.231 0.287 -11.742 1.00 0.00 O ATOM 2024 CB VAL B 72 1.170 -1.988 -13.324 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.753 -1.331 -14.628 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.902 -3.481 -13.362 1.00 0.00 C ATOM 0 H VAL B 72 2.458 -2.364 -11.049 1.00 0.00 H new ATOM 0 HA VAL B 72 3.268 -1.987 -13.851 1.00 0.00 H new ATOM 0 HB VAL B 72 0.567 -1.557 -12.525 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.295 -1.555 -14.829 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.885 -0.252 -14.550 1.00 0.00 H new ATOM 0 HG13 VAL B 72 1.369 -1.714 -15.442 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.149 -3.656 -13.593 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.524 -3.943 -14.128 1.00 0.00 H new ATOM 0 HG23 VAL B 72 1.137 -3.918 -12.391 1.00 0.00 H new ATOM 2036 N ARG B 73 3.623 0.449 -13.527 1.00 0.00 N ATOM 2037 CA ARG B 73 3.842 1.879 -13.433 1.00 0.00 C ATOM 2038 C ARG B 73 2.543 2.616 -13.639 1.00 0.00 C ATOM 2039 O ARG B 73 1.992 2.615 -14.751 1.00 0.00 O ATOM 2040 CB ARG B 73 4.821 2.336 -14.513 1.00 0.00 C ATOM 2041 CG ARG B 73 6.253 1.879 -14.347 1.00 0.00 C ATOM 2042 CD ARG B 73 6.873 2.465 -13.102 1.00 0.00 C ATOM 2043 NE ARG B 73 8.321 2.259 -13.063 1.00 0.00 N ATOM 2044 CZ ARG B 73 9.067 2.346 -11.967 1.00 0.00 C ATOM 2045 NH1 ARG B 73 8.501 2.315 -10.765 1.00 0.00 N ATOM 2046 NH2 ARG B 73 10.389 2.376 -12.079 1.00 0.00 N ATOM 0 H ARG B 73 4.147 0.003 -14.280 1.00 0.00 H new ATOM 0 HA ARG B 73 4.247 2.095 -12.444 1.00 0.00 H new ATOM 0 HB2 ARG B 73 4.457 1.983 -15.478 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.810 3.425 -14.548 1.00 0.00 H new ATOM 0 HG2 ARG B 73 6.286 0.791 -14.295 1.00 0.00 H new ATOM 0 HG3 ARG B 73 6.835 2.175 -15.220 1.00 0.00 H new ATOM 0 HD2 ARG B 73 6.657 3.532 -13.057 1.00 0.00 H new ATOM 0 HD3 ARG B 73 6.418 2.011 -12.222 1.00 0.00 H new ATOM 0 HE ARG B 73 8.791 2.033 -13.939 1.00 0.00 H new ATOM 0 HH11 ARG B 73 7.489 2.224 -10.680 1.00 0.00 H new ATOM 0 HH12 ARG B 73 9.079 2.382 -9.927 1.00 0.00 H new ATOM 0 HH21 ARG B 73 10.824 2.332 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG B 73 10.970 2.443 -11.243 1.00 0.00 H new ATOM 2060 N VAL B 74 2.036 3.214 -12.604 1.00 0.00 N ATOM 2061 CA VAL B 74 0.810 3.952 -12.686 1.00 0.00 C ATOM 2062 C VAL B 74 0.927 5.304 -11.998 1.00 0.00 C ATOM 2063 O VAL B 74 1.983 5.659 -11.403 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.436 3.171 -12.137 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.758 1.953 -12.990 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.238 2.758 -10.693 1.00 0.00 C ATOM 0 H VAL B 74 2.461 3.205 -11.677 1.00 0.00 H new ATOM 0 HA VAL B 74 0.638 4.106 -13.751 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.283 3.855 -12.188 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.626 1.439 -12.578 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -0.975 2.270 -14.010 1.00 0.00 H new ATOM 0 HG13 VAL B 74 0.096 1.276 -12.994 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -1.119 2.220 -10.344 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.636 2.112 -10.616 1.00 0.00 H new ATOM 0 HG23 VAL B 74 -0.088 3.645 -10.078 1.00 0.00 H new ATOM 2076 N THR B 75 -0.123 6.052 -12.122 1.00 0.00 N ATOM 2077 CA THR B 75 -0.253 7.351 -11.557 1.00 0.00 C ATOM 2078 C THR B 75 -1.604 7.431 -10.854 1.00 0.00 C ATOM 2079 O THR B 75 -2.508 6.668 -11.171 1.00 0.00 O ATOM 2080 CB THR B 75 -0.153 8.447 -12.662 1.00 0.00 C ATOM 2081 OG1 THR B 75 -1.066 8.156 -13.743 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.267 8.557 -13.207 1.00 0.00 C ATOM 0 H THR B 75 -0.948 5.758 -12.644 1.00 0.00 H new ATOM 0 HA THR B 75 0.554 7.525 -10.845 1.00 0.00 H new ATOM 0 HB THR B 75 -0.422 9.400 -12.207 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.828 7.297 -14.150 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.303 9.329 -13.975 1.00 0.00 H new ATOM 0 HG22 THR B 75 1.948 8.818 -12.397 1.00 0.00 H new ATOM 0 HG23 THR B 75 1.566 7.602 -13.639 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.740 8.327 -9.908 1.00 0.00 N ATOM 2091 CA LEU B 76 -3.000 8.516 -9.187 1.00 0.00 C ATOM 2092 C LEU B 76 -4.018 9.143 -10.096 1.00 0.00 C ATOM 2093 O LEU B 76 -5.216 8.925 -9.956 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.783 9.407 -7.977 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.841 8.849 -6.935 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.483 9.909 -5.926 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.464 7.658 -6.233 1.00 0.00 C ATOM 0 H LEU B 76 -0.990 8.950 -9.608 1.00 0.00 H new ATOM 0 HA LEU B 76 -3.362 7.544 -8.853 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -2.397 10.368 -8.317 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.748 9.599 -7.508 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.933 8.521 -7.441 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.804 9.490 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.997 10.743 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.388 10.262 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.770 7.271 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.388 7.966 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.683 6.879 -6.963 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.519 9.901 -11.047 1.00 0.00 N ATOM 2110 CA ASP B 77 -4.334 10.589 -12.035 1.00 0.00 C ATOM 2111 C ASP B 77 -5.115 9.599 -12.898 1.00 0.00 C ATOM 2112 O ASP B 77 -6.260 9.854 -13.267 1.00 0.00 O ATOM 2113 CB ASP B 77 -3.451 11.493 -12.898 1.00 0.00 C ATOM 2114 CG ASP B 77 -4.188 12.139 -14.050 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -4.995 13.079 -13.826 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -3.933 11.759 -15.201 1.00 0.00 O ATOM 0 H ASP B 77 -2.518 10.062 -11.161 1.00 0.00 H new ATOM 0 HA ASP B 77 -5.064 11.207 -11.512 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -3.021 12.273 -12.270 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -2.621 10.907 -13.292 1.00 0.00 H new ATOM 2121 N GLU B 78 -4.521 8.447 -13.163 1.00 0.00 N ATOM 2122 CA GLU B 78 -5.179 7.446 -13.988 1.00 0.00 C ATOM 2123 C GLU B 78 -6.007 6.482 -13.141 1.00 0.00 C ATOM 2124 O GLU B 78 -6.653 5.574 -13.679 1.00 0.00 O ATOM 2125 CB GLU B 78 -4.170 6.674 -14.836 1.00 0.00 C ATOM 2126 CG GLU B 78 -3.188 5.840 -14.041 1.00 0.00 C ATOM 2127 CD GLU B 78 -2.155 5.192 -14.901 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -2.436 4.143 -15.513 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -1.023 5.724 -14.975 1.00 0.00 O ATOM 0 H GLU B 78 -3.596 8.183 -12.824 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.855 7.977 -14.659 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.713 6.020 -15.518 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.613 7.382 -15.449 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.695 6.472 -13.302 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -3.732 5.072 -13.491 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.975 6.645 -11.826 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.778 5.801 -10.976 1.00 0.00 C ATOM 2138 C LEU B 79 -8.119 6.479 -10.756 1.00 0.00 C ATOM 2139 O LEU B 79 -8.428 6.892 -9.631 1.00 0.00 O ATOM 2140 CB LEU B 79 -6.086 5.541 -9.627 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.672 4.956 -9.674 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -4.184 4.644 -8.275 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -4.605 3.718 -10.555 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.854 6.684 -11.739 1.00 0.00 O ATOM 0 H LEU B 79 -5.411 7.342 -11.339 1.00 0.00 H new ATOM 0 HA LEU B 79 -6.917 4.834 -11.460 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -6.045 6.483 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.714 4.863 -9.049 1.00 0.00 H new ATOM 0 HG LEU B 79 -4.016 5.706 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -3.177 4.229 -8.325 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -4.170 5.558 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.853 3.920 -7.810 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.586 3.332 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -5.279 2.956 -10.163 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.903 3.978 -11.571 1.00 0.00 H new