USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ 142:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 87 TYR OH : rot 30:sc= 1.06 USER MOD Set 2.1: A 47 MET CE :methyl -161:sc= -0.117 (180deg=-0.597) USER MOD Set 2.2: A 50 CYS SG : rot 24:sc= 0.644 USER MOD Set 3.1: A 43 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.714) USER MOD Set 3.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 25 GLN : amide:sc= 0.751 K(o=2.1,f=-1.2) USER MOD Set 4.2: A 57 SER OG : rot 127:sc= 1.31 USER MOD Single : A 3 TYR OH : rot -130:sc= 1.29 USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0178) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 1.36 (180deg=1.17) USER MOD Single : A 20 SER OG : rot -65:sc= 1.34 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0.97 (180deg=0.294) USER MOD Single : A 36 SER OG : rot -13:sc= 0.924 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc=-0.00245 (180deg=-0.318) USER MOD Single : A 58 SER OG : rot -113:sc= 0.483 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.294 USER MOD Single : A 65 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.0099) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 170:sc= 0.0396 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.589 12.680 -3.544 1.00 0.00 N ATOM 19 CA ALA A 2 8.419 12.043 -4.102 1.00 0.00 C ATOM 20 C ALA A 2 8.798 10.781 -4.824 1.00 0.00 C ATOM 21 O ALA A 2 9.701 10.774 -5.672 1.00 0.00 O ATOM 22 CB ALA A 2 7.661 12.980 -5.025 1.00 0.00 C ATOM 0 HA ALA A 2 7.756 11.786 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.787 12.467 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.341 13.860 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.310 13.287 -5.845 1.00 0.00 H new ATOM 28 N TYR A 3 8.133 9.728 -4.478 1.00 0.00 N ATOM 29 CA TYR A 3 8.370 8.432 -5.068 1.00 0.00 C ATOM 30 C TYR A 3 7.250 8.129 -6.044 1.00 0.00 C ATOM 31 O TYR A 3 6.234 8.832 -6.065 1.00 0.00 O ATOM 32 CB TYR A 3 8.411 7.331 -3.982 1.00 0.00 C ATOM 33 CG TYR A 3 9.573 7.393 -2.987 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.932 8.573 -2.355 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.276 6.246 -2.649 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.945 8.617 -1.428 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.300 6.285 -1.719 1.00 0.00 C ATOM 38 CZ TYR A 3 11.629 7.471 -1.112 1.00 0.00 C ATOM 39 OH TYR A 3 12.639 7.512 -0.166 1.00 0.00 O ATOM 0 H TYR A 3 7.399 9.733 -3.770 1.00 0.00 H new ATOM 0 HA TYR A 3 9.332 8.447 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.478 7.372 -3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.440 6.362 -4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.401 9.482 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.020 5.308 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.202 9.551 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.840 5.383 -1.471 1.00 0.00 H new ATOM 0 HH TYR A 3 13.443 7.084 -0.527 1.00 0.00 H new ATOM 49 N PHE A 4 7.437 7.127 -6.851 1.00 0.00 N ATOM 50 CA PHE A 4 6.412 6.676 -7.765 1.00 0.00 C ATOM 51 C PHE A 4 5.479 5.749 -7.018 1.00 0.00 C ATOM 52 O PHE A 4 5.881 5.132 -6.044 1.00 0.00 O ATOM 53 CB PHE A 4 7.034 5.947 -8.965 1.00 0.00 C ATOM 54 CG PHE A 4 7.879 6.818 -9.852 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.290 7.722 -10.722 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.263 6.724 -9.826 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.063 8.514 -11.547 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.040 7.513 -10.646 1.00 0.00 C ATOM 59 CZ PHE A 4 9.441 8.410 -11.508 1.00 0.00 C ATOM 0 H PHE A 4 8.305 6.593 -6.899 1.00 0.00 H new ATOM 0 HA PHE A 4 5.861 7.535 -8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.645 5.123 -8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.235 5.509 -9.562 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.214 7.808 -10.755 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.737 6.024 -9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.592 9.214 -12.222 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.116 7.430 -10.615 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.048 9.030 -12.151 1.00 0.00 H new ATOM 69 N LEU A 5 4.256 5.657 -7.448 1.00 0.00 N ATOM 70 CA LEU A 5 3.289 4.815 -6.786 1.00 0.00 C ATOM 71 C LEU A 5 2.692 3.864 -7.808 1.00 0.00 C ATOM 72 O LEU A 5 2.178 4.299 -8.854 1.00 0.00 O ATOM 73 CB LEU A 5 2.184 5.704 -6.130 1.00 0.00 C ATOM 74 CG LEU A 5 1.214 5.069 -5.074 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.321 3.979 -5.642 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.975 4.550 -3.870 1.00 0.00 C ATOM 0 H LEU A 5 3.896 6.157 -8.261 1.00 0.00 H new ATOM 0 HA LEU A 5 3.765 4.232 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.683 6.547 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.571 6.111 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 5 0.555 5.879 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.322 3.587 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.295 4.393 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.938 3.174 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.275 4.116 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.686 3.788 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.512 5.372 -3.397 1.00 0.00 H new ATOM 88 N ASP A 6 2.782 2.595 -7.526 1.00 0.00 N ATOM 89 CA ASP A 6 2.178 1.570 -8.335 1.00 0.00 C ATOM 90 C ASP A 6 1.497 0.562 -7.473 1.00 0.00 C ATOM 91 O ASP A 6 1.818 0.404 -6.290 1.00 0.00 O ATOM 92 CB ASP A 6 3.168 0.854 -9.264 1.00 0.00 C ATOM 93 CG ASP A 6 3.435 1.589 -10.545 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.579 1.521 -11.476 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.490 2.212 -10.679 1.00 0.00 O ATOM 0 H ASP A 6 3.285 2.236 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 6 1.455 2.081 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.110 0.711 -8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.780 -0.137 -9.499 1.00 0.00 H new ATOM 100 N PHE A 7 0.554 -0.098 -8.038 1.00 0.00 N ATOM 101 CA PHE A 7 -0.149 -1.137 -7.365 1.00 0.00 C ATOM 102 C PHE A 7 0.343 -2.448 -7.911 1.00 0.00 C ATOM 103 O PHE A 7 0.521 -2.575 -9.136 1.00 0.00 O ATOM 104 CB PHE A 7 -1.662 -1.026 -7.620 1.00 0.00 C ATOM 105 CG PHE A 7 -2.274 0.290 -7.222 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.706 0.502 -5.928 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.418 1.313 -8.150 1.00 0.00 C ATOM 108 CE1 PHE A 7 -3.268 1.707 -5.562 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.978 2.519 -7.789 1.00 0.00 C ATOM 110 CZ PHE A 7 -3.404 2.717 -6.493 1.00 0.00 C ATOM 0 H PHE A 7 0.241 0.067 -8.995 1.00 0.00 H new ATOM 0 HA PHE A 7 0.025 -1.062 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.851 -1.193 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.167 -1.825 -7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.603 -0.284 -5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.087 1.161 -9.167 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.602 1.861 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.083 3.307 -8.520 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.844 3.661 -6.206 1.00 0.00 H new ATOM 120 N ASP A 8 0.613 -3.396 -7.034 1.00 0.00 N ATOM 121 CA ASP A 8 0.947 -4.756 -7.456 1.00 0.00 C ATOM 122 C ASP A 8 -0.267 -5.268 -8.178 1.00 0.00 C ATOM 123 O ASP A 8 -1.377 -4.942 -7.770 1.00 0.00 O ATOM 124 CB ASP A 8 1.213 -5.635 -6.226 1.00 0.00 C ATOM 125 CG ASP A 8 1.597 -7.055 -6.546 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.705 -7.883 -6.858 1.00 0.00 O ATOM 127 OD2 ASP A 8 2.798 -7.380 -6.450 1.00 0.00 O ATOM 0 H ASP A 8 0.609 -3.256 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 8 1.837 -4.773 -8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.009 -5.181 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.319 -5.645 -5.602 1.00 0.00 H new ATOM 132 N GLU A 9 -0.096 -6.024 -9.235 1.00 0.00 N ATOM 133 CA GLU A 9 -1.236 -6.470 -10.015 1.00 0.00 C ATOM 134 C GLU A 9 -2.278 -7.230 -9.192 1.00 0.00 C ATOM 135 O GLU A 9 -3.464 -7.121 -9.468 1.00 0.00 O ATOM 136 CB GLU A 9 -0.836 -7.236 -11.261 1.00 0.00 C ATOM 137 CG GLU A 9 0.021 -8.448 -11.020 1.00 0.00 C ATOM 138 CD GLU A 9 0.228 -9.210 -12.283 1.00 0.00 C ATOM 139 OE1 GLU A 9 0.993 -8.753 -13.146 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.412 -10.262 -12.461 1.00 0.00 O ATOM 0 H GLU A 9 0.810 -6.344 -9.577 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.722 -5.553 -10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.741 -7.548 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.301 -6.560 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.985 -8.142 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.450 -9.090 -10.276 1.00 0.00 H new ATOM 147 N ARG A 10 -1.853 -7.947 -8.152 1.00 0.00 N ATOM 148 CA ARG A 10 -2.807 -8.635 -7.298 1.00 0.00 C ATOM 149 C ARG A 10 -3.561 -7.635 -6.439 1.00 0.00 C ATOM 150 O ARG A 10 -4.782 -7.747 -6.248 1.00 0.00 O ATOM 151 CB ARG A 10 -2.158 -9.714 -6.436 1.00 0.00 C ATOM 152 CG ARG A 10 -1.729 -10.957 -7.196 1.00 0.00 C ATOM 153 CD ARG A 10 -1.126 -11.980 -6.249 1.00 0.00 C ATOM 154 NE ARG A 10 -0.838 -13.264 -6.909 1.00 0.00 N ATOM 155 CZ ARG A 10 0.346 -13.887 -6.881 1.00 0.00 C ATOM 156 NH1 ARG A 10 1.438 -13.224 -6.511 1.00 0.00 N ATOM 157 NH2 ARG A 10 0.446 -15.143 -7.299 1.00 0.00 N ATOM 0 H ARG A 10 -0.875 -8.063 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.512 -9.147 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.286 -9.288 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.859 -10.006 -5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.587 -11.390 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.001 -10.689 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.205 -11.579 -5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.811 -12.149 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.596 -13.711 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.373 -12.240 -6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.340 -13.699 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.380 -15.634 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.349 -15.617 -7.277 1.00 0.00 H new ATOM 171 N ALA A 11 -2.837 -6.646 -5.953 1.00 0.00 N ATOM 172 CA ALA A 11 -3.406 -5.581 -5.153 1.00 0.00 C ATOM 173 C ALA A 11 -4.317 -4.703 -5.991 1.00 0.00 C ATOM 174 O ALA A 11 -5.285 -4.175 -5.496 1.00 0.00 O ATOM 175 CB ALA A 11 -2.321 -4.747 -4.516 1.00 0.00 C ATOM 0 H ALA A 11 -1.832 -6.559 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.999 -6.040 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.774 -3.954 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.707 -5.378 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.697 -4.306 -5.294 1.00 0.00 H new ATOM 181 N LEU A 12 -4.000 -4.575 -7.273 1.00 0.00 N ATOM 182 CA LEU A 12 -4.779 -3.754 -8.190 1.00 0.00 C ATOM 183 C LEU A 12 -6.136 -4.386 -8.404 1.00 0.00 C ATOM 184 O LEU A 12 -7.145 -3.697 -8.542 1.00 0.00 O ATOM 185 CB LEU A 12 -4.053 -3.597 -9.525 1.00 0.00 C ATOM 186 CG LEU A 12 -4.722 -2.692 -10.569 1.00 0.00 C ATOM 187 CD1 LEU A 12 -4.854 -1.265 -10.056 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.941 -2.723 -11.868 1.00 0.00 C ATOM 0 H LEU A 12 -3.199 -5.035 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.906 -2.763 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.055 -3.207 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.927 -4.587 -9.963 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.726 -3.073 -10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.331 -0.647 -10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.461 -1.259 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.865 -0.866 -9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.426 -2.077 -12.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.925 -2.371 -11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.910 -3.744 -12.249 1.00 0.00 H new ATOM 200 N LYS A 13 -6.151 -5.705 -8.408 1.00 0.00 N ATOM 201 CA LYS A 13 -7.379 -6.462 -8.528 1.00 0.00 C ATOM 202 C LYS A 13 -8.250 -6.178 -7.322 1.00 0.00 C ATOM 203 O LYS A 13 -9.444 -5.948 -7.456 1.00 0.00 O ATOM 204 CB LYS A 13 -7.069 -7.950 -8.624 1.00 0.00 C ATOM 205 CG LYS A 13 -6.225 -8.312 -9.829 1.00 0.00 C ATOM 206 CD LYS A 13 -5.672 -9.711 -9.708 1.00 0.00 C ATOM 207 CE LYS A 13 -4.705 -10.039 -10.842 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.347 -10.011 -12.176 1.00 0.00 N ATOM 0 H LYS A 13 -5.312 -6.280 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.908 -6.166 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.550 -8.265 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.005 -8.507 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.827 -8.233 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.405 -7.601 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.160 -9.818 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.493 -10.428 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.881 -9.326 -10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.276 -11.026 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.660 -10.307 -12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.159 -10.660 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.674 -9.046 -12.384 1.00 0.00 H new ATOM 222 N GLU A 14 -7.621 -6.150 -6.151 1.00 0.00 N ATOM 223 CA GLU A 14 -8.304 -5.843 -4.909 1.00 0.00 C ATOM 224 C GLU A 14 -8.746 -4.371 -4.870 1.00 0.00 C ATOM 225 O GLU A 14 -9.807 -4.052 -4.385 1.00 0.00 O ATOM 226 CB GLU A 14 -7.393 -6.147 -3.734 1.00 0.00 C ATOM 227 CG GLU A 14 -6.928 -7.583 -3.692 1.00 0.00 C ATOM 228 CD GLU A 14 -8.073 -8.554 -3.591 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.721 -8.616 -2.524 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.360 -9.274 -4.582 1.00 0.00 O ATOM 0 H GLU A 14 -6.625 -6.340 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.197 -6.465 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.523 -5.492 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.918 -5.916 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.349 -7.801 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.262 -7.721 -2.841 1.00 0.00 H new ATOM 237 N TRP A 15 -7.921 -3.508 -5.403 1.00 0.00 N ATOM 238 CA TRP A 15 -8.188 -2.074 -5.490 1.00 0.00 C ATOM 239 C TRP A 15 -9.452 -1.808 -6.321 1.00 0.00 C ATOM 240 O TRP A 15 -10.309 -1.019 -5.932 1.00 0.00 O ATOM 241 CB TRP A 15 -6.955 -1.395 -6.115 1.00 0.00 C ATOM 242 CG TRP A 15 -7.073 0.072 -6.370 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.345 0.670 -7.563 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.897 1.122 -5.421 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.363 2.038 -7.410 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.087 2.339 -6.105 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.598 1.152 -4.058 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.989 3.570 -5.470 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.500 2.372 -3.432 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.693 3.566 -4.135 1.00 0.00 C ATOM 0 H TRP A 15 -7.021 -3.777 -5.801 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.368 -1.663 -4.497 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.101 -1.562 -5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.732 -1.891 -7.060 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.521 0.148 -8.492 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.551 2.716 -8.149 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.447 0.236 -3.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.140 4.494 -6.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -6.270 2.409 -2.378 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.606 4.506 -3.611 1.00 0.00 H new ATOM 261 N ARG A 16 -9.560 -2.488 -7.450 1.00 0.00 N ATOM 262 CA ARG A 16 -10.726 -2.359 -8.330 1.00 0.00 C ATOM 263 C ARG A 16 -11.931 -3.097 -7.725 1.00 0.00 C ATOM 264 O ARG A 16 -13.083 -2.844 -8.074 1.00 0.00 O ATOM 265 CB ARG A 16 -10.394 -2.897 -9.724 1.00 0.00 C ATOM 266 CG ARG A 16 -9.223 -2.181 -10.393 1.00 0.00 C ATOM 267 CD ARG A 16 -8.860 -2.815 -11.727 1.00 0.00 C ATOM 268 NE ARG A 16 -9.926 -2.665 -12.725 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.047 -3.373 -13.860 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.202 -4.367 -14.128 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.024 -3.082 -14.712 1.00 0.00 N ATOM 0 H ARG A 16 -8.853 -3.141 -7.787 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.987 -1.305 -8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.164 -3.960 -9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.275 -2.806 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.478 -1.132 -10.547 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.357 -2.205 -9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.945 -2.360 -12.106 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.651 -3.874 -11.578 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.639 -1.960 -12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.457 -4.595 -13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.300 -4.901 -14.992 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.675 -2.326 -14.502 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.123 -3.615 -15.576 1.00 0.00 H new ATOM 285 N LYS A 17 -11.628 -4.021 -6.844 1.00 0.00 N ATOM 286 CA LYS A 17 -12.602 -4.807 -6.093 1.00 0.00 C ATOM 287 C LYS A 17 -13.233 -3.951 -4.989 1.00 0.00 C ATOM 288 O LYS A 17 -14.353 -4.219 -4.542 1.00 0.00 O ATOM 289 CB LYS A 17 -11.863 -6.004 -5.504 1.00 0.00 C ATOM 290 CG LYS A 17 -12.581 -6.848 -4.483 1.00 0.00 C ATOM 291 CD LYS A 17 -11.617 -7.891 -3.974 1.00 0.00 C ATOM 292 CE LYS A 17 -12.156 -8.699 -2.828 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.161 -9.690 -2.375 1.00 0.00 N ATOM 0 H LYS A 17 -10.663 -4.261 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.411 -5.148 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.571 -6.654 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.944 -5.637 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.940 -6.228 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.455 -7.323 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.357 -8.564 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.696 -7.400 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.420 -8.038 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.070 -9.208 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.410 -10.020 -1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.153 -10.498 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.218 -9.251 -2.355 1.00 0.00 H new ATOM 307 N LEU A 18 -12.511 -2.938 -4.549 1.00 0.00 N ATOM 308 CA LEU A 18 -13.011 -1.995 -3.575 1.00 0.00 C ATOM 309 C LEU A 18 -14.121 -1.160 -4.176 1.00 0.00 C ATOM 310 O LEU A 18 -14.334 -1.169 -5.396 1.00 0.00 O ATOM 311 CB LEU A 18 -11.884 -1.080 -3.066 1.00 0.00 C ATOM 312 CG LEU A 18 -11.204 -1.450 -1.736 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.765 -2.895 -1.690 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.022 -0.544 -1.514 1.00 0.00 C ATOM 0 H LEU A 18 -11.558 -2.748 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.405 -2.559 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.113 -1.038 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.290 -0.073 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.938 -1.318 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.292 -3.101 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.633 -3.543 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.053 -3.085 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.537 -0.803 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.313 -0.664 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.360 0.492 -1.476 1.00 0.00 H new ATOM 326 N GLY A 19 -14.819 -0.441 -3.337 1.00 0.00 N ATOM 327 CA GLY A 19 -15.899 0.398 -3.811 1.00 0.00 C ATOM 328 C GLY A 19 -15.369 1.682 -4.402 1.00 0.00 C ATOM 329 O GLY A 19 -14.376 1.681 -5.110 1.00 0.00 O ATOM 0 H GLY A 19 -14.665 -0.416 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.479 -0.139 -4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.576 0.625 -2.987 1.00 0.00 H new ATOM 333 N SER A 20 -16.001 2.767 -4.131 1.00 0.00 N ATOM 334 CA SER A 20 -15.499 4.015 -4.610 1.00 0.00 C ATOM 335 C SER A 20 -14.899 4.780 -3.448 1.00 0.00 C ATOM 336 O SER A 20 -13.694 4.997 -3.394 1.00 0.00 O ATOM 337 CB SER A 20 -16.613 4.830 -5.305 1.00 0.00 C ATOM 338 OG SER A 20 -16.093 6.009 -5.914 1.00 0.00 O ATOM 0 H SER A 20 -16.861 2.822 -3.585 1.00 0.00 H new ATOM 0 HA SER A 20 -14.726 3.834 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.100 4.213 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.376 5.102 -4.575 1.00 0.00 H new ATOM 0 HG SER A 20 -15.748 6.610 -5.221 1.00 0.00 H new ATOM 344 N THR A 21 -15.741 5.059 -2.476 1.00 0.00 N ATOM 345 CA THR A 21 -15.437 5.895 -1.325 1.00 0.00 C ATOM 346 C THR A 21 -14.157 5.464 -0.587 1.00 0.00 C ATOM 347 O THR A 21 -13.329 6.307 -0.224 1.00 0.00 O ATOM 348 CB THR A 21 -16.631 5.864 -0.353 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.835 6.125 -1.094 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.488 6.924 0.726 1.00 0.00 C ATOM 0 H THR A 21 -16.695 4.697 -2.462 1.00 0.00 H new ATOM 0 HA THR A 21 -15.261 6.905 -1.694 1.00 0.00 H new ATOM 0 HB THR A 21 -16.666 4.884 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.604 6.106 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.346 6.878 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.574 6.746 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.442 7.910 0.264 1.00 0.00 H new ATOM 358 N VAL A 22 -13.986 4.166 -0.389 1.00 0.00 N ATOM 359 CA VAL A 22 -12.827 3.670 0.331 1.00 0.00 C ATOM 360 C VAL A 22 -11.544 3.916 -0.456 1.00 0.00 C ATOM 361 O VAL A 22 -10.583 4.472 0.070 1.00 0.00 O ATOM 362 CB VAL A 22 -12.950 2.160 0.617 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.726 1.663 1.353 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.205 1.863 1.414 1.00 0.00 C ATOM 0 H VAL A 22 -14.629 3.444 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.785 4.214 1.275 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.021 1.636 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.827 0.595 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.839 1.838 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.628 2.197 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.270 0.792 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.169 2.398 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.080 2.185 0.849 1.00 0.00 H new ATOM 374 N ARG A 23 -11.563 3.562 -1.722 1.00 0.00 N ATOM 375 CA ARG A 23 -10.401 3.731 -2.555 1.00 0.00 C ATOM 376 C ARG A 23 -10.086 5.186 -2.836 1.00 0.00 C ATOM 377 O ARG A 23 -8.930 5.543 -2.959 1.00 0.00 O ATOM 378 CB ARG A 23 -10.389 2.873 -3.800 1.00 0.00 C ATOM 379 CG ARG A 23 -11.611 2.939 -4.658 1.00 0.00 C ATOM 380 CD ARG A 23 -11.241 2.461 -6.041 1.00 0.00 C ATOM 381 NE ARG A 23 -12.395 2.200 -6.893 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.347 2.131 -8.227 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.249 2.492 -8.880 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.400 1.716 -8.909 1.00 0.00 N ATOM 0 H ARG A 23 -12.371 3.156 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.576 3.347 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.529 3.160 -4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.236 1.836 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.403 2.318 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.993 3.959 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.608 3.209 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.649 1.550 -5.956 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.299 2.061 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.435 2.825 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.220 2.437 -9.898 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.252 1.447 -8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.360 1.664 -9.927 1.00 0.00 H new ATOM 398 N GLU A 24 -11.120 6.013 -2.945 1.00 0.00 N ATOM 399 CA GLU A 24 -10.947 7.453 -3.124 1.00 0.00 C ATOM 400 C GLU A 24 -10.100 8.014 -1.994 1.00 0.00 C ATOM 401 O GLU A 24 -9.133 8.741 -2.226 1.00 0.00 O ATOM 402 CB GLU A 24 -12.311 8.145 -3.115 1.00 0.00 C ATOM 403 CG GLU A 24 -13.120 7.961 -4.382 1.00 0.00 C ATOM 404 CD GLU A 24 -14.486 8.586 -4.289 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.590 9.834 -4.332 1.00 0.00 O ATOM 406 OE2 GLU A 24 -15.483 7.846 -4.184 1.00 0.00 O ATOM 0 H GLU A 24 -12.093 5.710 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.452 7.632 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.890 7.767 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.162 9.212 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.580 8.399 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.224 6.896 -4.591 1.00 0.00 H new ATOM 413 N GLN A 25 -10.429 7.610 -0.789 1.00 0.00 N ATOM 414 CA GLN A 25 -9.711 8.055 0.393 1.00 0.00 C ATOM 415 C GLN A 25 -8.308 7.440 0.446 1.00 0.00 C ATOM 416 O GLN A 25 -7.341 8.116 0.802 1.00 0.00 O ATOM 417 CB GLN A 25 -10.517 7.750 1.657 1.00 0.00 C ATOM 418 CG GLN A 25 -11.812 8.542 1.749 1.00 0.00 C ATOM 419 CD GLN A 25 -12.723 8.072 2.856 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.650 8.541 4.003 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.592 7.164 2.523 1.00 0.00 N ATOM 0 H GLN A 25 -11.197 6.967 -0.596 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.585 9.136 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.748 6.685 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.904 7.966 2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.575 9.595 1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.341 8.472 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.616 6.807 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.250 6.809 3.217 1.00 0.00 H new ATOM 430 N LEU A 26 -8.199 6.174 0.057 1.00 0.00 N ATOM 431 CA LEU A 26 -6.908 5.482 0.024 1.00 0.00 C ATOM 432 C LEU A 26 -5.956 6.129 -0.978 1.00 0.00 C ATOM 433 O LEU A 26 -4.790 6.342 -0.671 1.00 0.00 O ATOM 434 CB LEU A 26 -7.076 3.999 -0.305 1.00 0.00 C ATOM 435 CG LEU A 26 -7.773 3.125 0.749 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.950 1.723 0.221 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.964 3.086 2.034 1.00 0.00 C ATOM 0 H LEU A 26 -8.989 5.602 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.477 5.569 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.638 3.920 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.088 3.580 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.750 3.559 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.445 1.110 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.559 1.749 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.974 1.296 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.475 2.462 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.977 2.672 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.859 4.097 2.428 1.00 0.00 H new ATOM 449 N LYS A 27 -6.469 6.456 -2.162 1.00 0.00 N ATOM 450 CA LYS A 27 -5.679 7.098 -3.208 1.00 0.00 C ATOM 451 C LYS A 27 -5.112 8.422 -2.707 1.00 0.00 C ATOM 452 O LYS A 27 -3.947 8.748 -2.944 1.00 0.00 O ATOM 453 CB LYS A 27 -6.539 7.362 -4.439 1.00 0.00 C ATOM 454 CG LYS A 27 -5.764 7.985 -5.593 1.00 0.00 C ATOM 455 CD LYS A 27 -6.674 8.437 -6.722 1.00 0.00 C ATOM 456 CE LYS A 27 -7.480 9.667 -6.324 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.420 10.065 -7.378 1.00 0.00 N ATOM 0 H LYS A 27 -7.440 6.284 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.861 6.428 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.982 6.423 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.361 8.022 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.193 8.838 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.045 7.262 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.077 8.661 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.352 7.627 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.029 9.460 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.802 10.493 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.950 10.905 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.894 10.286 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.083 9.286 -7.564 1.00 0.00 H new ATOM 471 N LYS A 28 -5.947 9.172 -2.019 1.00 0.00 N ATOM 472 CA LYS A 28 -5.551 10.446 -1.451 1.00 0.00 C ATOM 473 C LYS A 28 -4.455 10.265 -0.414 1.00 0.00 C ATOM 474 O LYS A 28 -3.523 11.060 -0.345 1.00 0.00 O ATOM 475 CB LYS A 28 -6.748 11.185 -0.879 1.00 0.00 C ATOM 476 CG LYS A 28 -7.775 11.522 -1.934 1.00 0.00 C ATOM 477 CD LYS A 28 -8.953 12.255 -1.357 1.00 0.00 C ATOM 478 CE LYS A 28 -9.984 12.517 -2.420 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.137 13.283 -1.914 1.00 0.00 N ATOM 0 H LYS A 28 -6.918 8.917 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.142 11.060 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.213 10.574 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.409 12.103 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.312 12.133 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.118 10.605 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.394 11.669 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.624 13.198 -0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.522 13.063 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.333 11.567 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.817 13.436 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.597 12.752 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.811 14.202 -1.552 1.00 0.00 H new ATOM 493 N LYS A 29 -4.550 9.193 0.356 1.00 0.00 N ATOM 494 CA LYS A 29 -3.517 8.844 1.323 1.00 0.00 C ATOM 495 C LYS A 29 -2.205 8.514 0.642 1.00 0.00 C ATOM 496 O LYS A 29 -1.136 8.868 1.125 1.00 0.00 O ATOM 497 CB LYS A 29 -3.955 7.695 2.229 1.00 0.00 C ATOM 498 CG LYS A 29 -4.455 8.151 3.583 1.00 0.00 C ATOM 499 CD LYS A 29 -5.655 9.061 3.486 1.00 0.00 C ATOM 500 CE LYS A 29 -5.952 9.675 4.828 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.860 10.583 5.263 1.00 0.00 N ATOM 0 H LYS A 29 -5.337 8.544 0.331 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.361 9.723 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.743 7.130 1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.116 7.014 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.714 7.278 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.652 8.670 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.467 9.845 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.520 8.498 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.889 10.229 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.088 8.887 5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.210 11.212 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.064 10.020 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.540 11.153 4.454 1.00 0.00 H new ATOM 515 N LEU A 30 -2.296 7.863 -0.482 1.00 0.00 N ATOM 516 CA LEU A 30 -1.132 7.498 -1.251 1.00 0.00 C ATOM 517 C LEU A 30 -0.459 8.737 -1.840 1.00 0.00 C ATOM 518 O LEU A 30 0.757 8.894 -1.748 1.00 0.00 O ATOM 519 CB LEU A 30 -1.521 6.518 -2.357 1.00 0.00 C ATOM 520 CG LEU A 30 -2.168 5.211 -1.884 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.590 4.359 -3.061 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.225 4.439 -0.971 1.00 0.00 C ATOM 0 H LEU A 30 -3.180 7.568 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.417 7.011 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.211 7.019 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.628 6.273 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.061 5.466 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.046 3.438 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.312 4.907 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.717 4.117 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.706 3.516 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.309 4.201 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.984 5.047 -0.099 1.00 0.00 H new ATOM 534 N VAL A 31 -1.251 9.633 -2.405 1.00 0.00 N ATOM 535 CA VAL A 31 -0.696 10.820 -3.031 1.00 0.00 C ATOM 536 C VAL A 31 -0.086 11.786 -1.990 1.00 0.00 C ATOM 537 O VAL A 31 0.935 12.420 -2.261 1.00 0.00 O ATOM 538 CB VAL A 31 -1.713 11.544 -3.984 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.858 12.192 -3.235 1.00 0.00 C ATOM 540 CG2 VAL A 31 -1.014 12.550 -4.885 1.00 0.00 C ATOM 0 H VAL A 31 -2.268 9.563 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 31 0.118 10.476 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.147 10.767 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.529 12.677 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.406 11.431 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.465 12.935 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.748 13.032 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.519 13.304 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.273 12.036 -5.498 1.00 0.00 H new ATOM 550 N GLU A 32 -0.698 11.898 -0.804 1.00 0.00 N ATOM 551 CA GLU A 32 -0.137 12.743 0.251 1.00 0.00 C ATOM 552 C GLU A 32 1.172 12.145 0.794 1.00 0.00 C ATOM 553 O GLU A 32 2.192 12.842 0.918 1.00 0.00 O ATOM 554 CB GLU A 32 -1.149 13.012 1.403 1.00 0.00 C ATOM 555 CG GLU A 32 -1.647 11.761 2.107 1.00 0.00 C ATOM 556 CD GLU A 32 -2.504 12.026 3.320 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.747 12.125 3.204 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.960 12.102 4.433 1.00 0.00 O ATOM 0 H GLU A 32 -1.566 11.423 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 32 0.085 13.709 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.679 13.665 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.005 13.552 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.219 11.163 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.787 11.162 2.409 1.00 0.00 H new ATOM 565 N VAL A 33 1.155 10.836 1.039 1.00 0.00 N ATOM 566 CA VAL A 33 2.267 10.140 1.655 1.00 0.00 C ATOM 567 C VAL A 33 3.525 10.205 0.785 1.00 0.00 C ATOM 568 O VAL A 33 4.617 10.247 1.299 1.00 0.00 O ATOM 569 CB VAL A 33 1.923 8.672 2.074 1.00 0.00 C ATOM 570 CG1 VAL A 33 1.944 7.689 0.912 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.799 8.212 3.222 1.00 0.00 C ATOM 0 H VAL A 33 0.364 10.233 0.813 1.00 0.00 H new ATOM 0 HA VAL A 33 2.478 10.671 2.583 1.00 0.00 H new ATOM 0 HB VAL A 33 0.890 8.686 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.697 6.691 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.213 7.995 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.938 7.676 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.538 7.189 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.845 8.252 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.645 8.864 4.081 1.00 0.00 H new ATOM 581 N LEU A 34 3.338 10.264 -0.535 1.00 0.00 N ATOM 582 CA LEU A 34 4.435 10.283 -1.513 1.00 0.00 C ATOM 583 C LEU A 34 5.472 11.370 -1.282 1.00 0.00 C ATOM 584 O LEU A 34 6.595 11.202 -1.725 1.00 0.00 O ATOM 585 CB LEU A 34 3.930 10.376 -2.954 1.00 0.00 C ATOM 586 CG LEU A 34 3.221 9.155 -3.522 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.774 9.439 -4.946 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.138 7.935 -3.482 1.00 0.00 C ATOM 0 H LEU A 34 2.413 10.300 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 34 4.930 9.325 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.248 11.224 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.781 10.602 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 34 2.344 8.939 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.267 8.563 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.090 10.288 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.644 9.670 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.614 7.072 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.032 8.132 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.425 7.729 -2.451 1.00 0.00 H new ATOM 600 N GLU A 35 5.114 12.483 -0.629 1.00 0.00 N ATOM 601 CA GLU A 35 6.118 13.530 -0.372 1.00 0.00 C ATOM 602 C GLU A 35 7.230 13.018 0.569 1.00 0.00 C ATOM 603 O GLU A 35 8.367 13.485 0.518 1.00 0.00 O ATOM 604 CB GLU A 35 5.500 14.804 0.198 1.00 0.00 C ATOM 605 CG GLU A 35 4.734 14.593 1.483 1.00 0.00 C ATOM 606 CD GLU A 35 4.384 15.877 2.155 1.00 0.00 C ATOM 607 OE1 GLU A 35 3.397 16.528 1.768 1.00 0.00 O ATOM 608 OE2 GLU A 35 5.093 16.250 3.109 1.00 0.00 O ATOM 0 H GLU A 35 4.176 12.681 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 35 6.556 13.778 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.292 15.532 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.830 15.235 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.821 14.037 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.329 13.982 2.161 1.00 0.00 H new ATOM 615 N SER A 36 6.876 12.078 1.426 1.00 0.00 N ATOM 616 CA SER A 36 7.793 11.433 2.352 1.00 0.00 C ATOM 617 C SER A 36 7.176 10.112 2.803 1.00 0.00 C ATOM 618 O SER A 36 6.583 10.044 3.851 1.00 0.00 O ATOM 619 CB SER A 36 8.130 12.341 3.572 1.00 0.00 C ATOM 620 OG SER A 36 8.738 13.584 3.181 1.00 0.00 O ATOM 0 H SER A 36 5.919 11.732 1.500 1.00 0.00 H new ATOM 0 HA SER A 36 8.738 11.247 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.217 12.547 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.802 11.807 4.244 1.00 0.00 H new ATOM 0 HG SER A 36 9.011 13.533 2.241 1.00 0.00 H new ATOM 626 N PRO A 37 7.230 9.056 1.944 1.00 0.00 N ATOM 627 CA PRO A 37 6.600 7.763 2.237 1.00 0.00 C ATOM 628 C PRO A 37 7.472 6.838 3.064 1.00 0.00 C ATOM 629 O PRO A 37 7.057 5.745 3.436 1.00 0.00 O ATOM 630 CB PRO A 37 6.351 7.180 0.851 1.00 0.00 C ATOM 631 CG PRO A 37 7.457 7.721 0.014 1.00 0.00 C ATOM 632 CD PRO A 37 7.827 9.072 0.592 1.00 0.00 C ATOM 0 HA PRO A 37 5.700 7.882 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.365 6.090 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.377 7.480 0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.315 7.048 0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.143 7.819 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.908 9.206 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.428 9.887 -0.011 1.00 0.00 H new ATOM 640 N ARG A 38 8.654 7.289 3.380 1.00 0.00 N ATOM 641 CA ARG A 38 9.598 6.519 4.174 1.00 0.00 C ATOM 642 C ARG A 38 9.313 6.685 5.681 1.00 0.00 C ATOM 643 O ARG A 38 10.210 6.657 6.507 1.00 0.00 O ATOM 644 CB ARG A 38 11.060 6.891 3.771 1.00 0.00 C ATOM 645 CG ARG A 38 11.426 8.393 3.786 1.00 0.00 C ATOM 646 CD ARG A 38 11.654 8.944 5.183 1.00 0.00 C ATOM 647 NE ARG A 38 12.821 8.308 5.824 1.00 0.00 N ATOM 648 CZ ARG A 38 13.019 8.159 7.153 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.075 8.518 8.040 1.00 0.00 N ATOM 650 NH2 ARG A 38 14.153 7.621 7.582 1.00 0.00 N ATOM 0 H ARG A 38 9.001 8.205 3.097 1.00 0.00 H new ATOM 0 HA ARG A 38 9.474 5.457 3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.741 6.369 4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.244 6.506 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.327 8.546 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.628 8.959 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.807 10.022 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.766 8.777 5.792 1.00 0.00 H new ATOM 0 HE ARG A 38 13.547 7.946 5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.192 8.910 7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.242 8.398 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.863 7.325 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.315 7.503 8.582 1.00 0.00 H new ATOM 664 N ILE A 39 8.047 6.679 6.024 1.00 0.00 N ATOM 665 CA ILE A 39 7.614 6.955 7.372 1.00 0.00 C ATOM 666 C ILE A 39 7.754 5.716 8.235 1.00 0.00 C ATOM 667 O ILE A 39 6.938 4.794 8.202 1.00 0.00 O ATOM 668 CB ILE A 39 6.154 7.489 7.394 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.094 8.750 6.535 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.698 7.787 8.827 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.721 9.338 6.327 1.00 0.00 C ATOM 0 H ILE A 39 7.286 6.482 5.374 1.00 0.00 H new ATOM 0 HA ILE A 39 8.255 7.735 7.784 1.00 0.00 H new ATOM 0 HB ILE A 39 5.480 6.732 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.728 9.509 6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.523 8.523 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.674 8.159 8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.744 6.874 9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.351 8.540 9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.797 10.229 5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.082 8.605 5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.290 9.606 7.292 1.00 0.00 H new ATOM 683 N GLU A 40 8.824 5.739 8.993 1.00 0.00 N ATOM 684 CA GLU A 40 9.275 4.687 9.896 1.00 0.00 C ATOM 685 C GLU A 40 8.203 4.289 10.914 1.00 0.00 C ATOM 686 O GLU A 40 8.150 3.141 11.363 1.00 0.00 O ATOM 687 CB GLU A 40 10.545 5.191 10.584 1.00 0.00 C ATOM 688 CG GLU A 40 10.360 6.550 11.257 1.00 0.00 C ATOM 689 CD GLU A 40 11.648 7.197 11.662 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.133 6.946 12.787 1.00 0.00 O ATOM 691 OE2 GLU A 40 12.197 7.992 10.861 1.00 0.00 O ATOM 0 H GLU A 40 9.450 6.544 9.002 1.00 0.00 H new ATOM 0 HA GLU A 40 9.481 3.780 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.861 4.462 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.346 5.262 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.828 7.214 10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.731 6.427 12.139 1.00 0.00 H new ATOM 698 N ALA A 41 7.330 5.222 11.231 1.00 0.00 N ATOM 699 CA ALA A 41 6.239 4.992 12.168 1.00 0.00 C ATOM 700 C ALA A 41 5.165 4.088 11.552 1.00 0.00 C ATOM 701 O ALA A 41 4.359 3.478 12.263 1.00 0.00 O ATOM 702 CB ALA A 41 5.634 6.316 12.595 1.00 0.00 C ATOM 0 H ALA A 41 7.353 6.167 10.847 1.00 0.00 H new ATOM 0 HA ALA A 41 6.641 4.485 13.045 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.819 6.134 13.296 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.398 6.926 13.077 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.250 6.840 11.720 1.00 0.00 H new ATOM 708 N ASN A 42 5.168 3.994 10.232 1.00 0.00 N ATOM 709 CA ASN A 42 4.198 3.172 9.516 1.00 0.00 C ATOM 710 C ASN A 42 4.866 1.970 8.893 1.00 0.00 C ATOM 711 O ASN A 42 4.205 1.169 8.233 1.00 0.00 O ATOM 712 CB ASN A 42 3.450 3.976 8.421 1.00 0.00 C ATOM 713 CG ASN A 42 2.531 5.058 8.968 1.00 0.00 C ATOM 714 OD1 ASN A 42 2.006 4.946 10.075 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.316 6.107 8.200 1.00 0.00 N ATOM 0 H ASN A 42 5.834 4.478 9.630 1.00 0.00 H new ATOM 0 HA ASN A 42 3.466 2.838 10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.183 4.437 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.862 3.286 7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.700 6.855 8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.766 6.171 7.287 1.00 0.00 H new ATOM 722 N LYS A 43 6.168 1.829 9.105 1.00 0.00 N ATOM 723 CA LYS A 43 6.906 0.777 8.539 1.00 0.00 C ATOM 724 C LYS A 43 6.713 -0.491 9.345 1.00 0.00 C ATOM 725 O LYS A 43 6.748 -0.473 10.586 1.00 0.00 O ATOM 726 CB LYS A 43 8.372 1.164 8.474 1.00 0.00 C ATOM 727 CG LYS A 43 9.155 0.243 7.616 1.00 0.00 C ATOM 728 CD LYS A 43 10.582 0.724 7.372 1.00 0.00 C ATOM 729 CE LYS A 43 11.242 -0.110 6.274 1.00 0.00 C ATOM 730 NZ LYS A 43 12.572 0.402 5.869 1.00 0.00 N ATOM 0 H LYS A 43 6.719 2.462 9.684 1.00 0.00 H new ATOM 0 HA LYS A 43 6.551 0.587 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.461 2.180 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.791 1.165 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.184 -0.742 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.648 0.128 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.575 1.775 7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.161 0.649 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.346 -1.138 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.588 -0.133 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.771 0.114 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.579 1.440 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.301 0.012 6.500 1.00 0.00 H new ATOM 744 N LEU A 44 6.509 -1.559 8.645 1.00 0.00 N ATOM 745 CA LEU A 44 6.281 -2.848 9.229 1.00 0.00 C ATOM 746 C LEU A 44 7.596 -3.481 9.581 1.00 0.00 C ATOM 747 O LEU A 44 8.467 -3.664 8.720 1.00 0.00 O ATOM 748 CB LEU A 44 5.531 -3.757 8.264 1.00 0.00 C ATOM 749 CG LEU A 44 4.164 -3.288 7.794 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.534 -4.330 6.899 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.268 -2.998 8.966 1.00 0.00 C ATOM 0 H LEU A 44 6.495 -1.563 7.625 1.00 0.00 H new ATOM 0 HA LEU A 44 5.677 -2.715 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.158 -3.908 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.410 -4.730 8.740 1.00 0.00 H new ATOM 0 HG LEU A 44 4.294 -2.367 7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.555 -3.982 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.171 -4.497 6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.420 -5.263 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.295 -2.664 8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.144 -3.902 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.715 -2.217 9.581 1.00 0.00 H new ATOM 763 N ARG A 45 7.741 -3.815 10.817 1.00 0.00 N ATOM 764 CA ARG A 45 8.937 -4.398 11.301 1.00 0.00 C ATOM 765 C ARG A 45 8.845 -5.902 11.162 1.00 0.00 C ATOM 766 O ARG A 45 7.923 -6.538 11.690 1.00 0.00 O ATOM 767 CB ARG A 45 9.174 -3.955 12.736 1.00 0.00 C ATOM 768 CG ARG A 45 9.326 -2.443 12.857 1.00 0.00 C ATOM 769 CD ARG A 45 9.581 -1.996 14.280 1.00 0.00 C ATOM 770 NE ARG A 45 9.724 -0.529 14.369 1.00 0.00 N ATOM 771 CZ ARG A 45 10.823 0.122 14.811 1.00 0.00 C ATOM 772 NH1 ARG A 45 11.961 -0.539 15.039 1.00 0.00 N ATOM 773 NH2 ARG A 45 10.797 1.441 14.966 1.00 0.00 N ATOM 0 H ARG A 45 7.020 -3.688 11.527 1.00 0.00 H new ATOM 0 HA ARG A 45 9.795 -4.065 10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.342 -4.285 13.358 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.071 -4.440 13.120 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.149 -2.112 12.223 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.423 -1.960 12.485 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.759 -2.322 14.918 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.485 -2.474 14.656 1.00 0.00 H new ATOM 0 HE ARG A 45 8.930 0.039 14.073 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.007 -1.545 14.880 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.784 -0.037 15.372 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.947 1.963 14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.627 1.932 15.300 1.00 0.00 H new ATOM 787 N GLY A 46 9.758 -6.453 10.409 1.00 0.00 N ATOM 788 CA GLY A 46 9.737 -7.860 10.121 1.00 0.00 C ATOM 789 C GLY A 46 9.243 -8.099 8.716 1.00 0.00 C ATOM 790 O GLY A 46 9.015 -9.232 8.305 1.00 0.00 O ATOM 0 H GLY A 46 10.531 -5.944 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.737 -8.277 10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.092 -8.374 10.833 1.00 0.00 H new ATOM 794 N MET A 47 9.064 -7.018 7.985 1.00 0.00 N ATOM 795 CA MET A 47 8.602 -7.062 6.612 1.00 0.00 C ATOM 796 C MET A 47 9.568 -6.281 5.740 1.00 0.00 C ATOM 797 O MET A 47 10.033 -5.212 6.156 1.00 0.00 O ATOM 798 CB MET A 47 7.200 -6.460 6.491 1.00 0.00 C ATOM 799 CG MET A 47 6.092 -7.272 7.147 1.00 0.00 C ATOM 800 SD MET A 47 5.800 -8.862 6.333 1.00 0.00 S ATOM 801 CE MET A 47 5.195 -8.317 4.731 1.00 0.00 C ATOM 0 H MET A 47 9.237 -6.074 8.331 1.00 0.00 H new ATOM 0 HA MET A 47 8.559 -8.101 6.287 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.210 -5.463 6.933 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.963 -6.338 5.434 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.348 -7.447 8.192 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.170 -6.691 7.138 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.662 -9.135 4.246 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.519 -7.473 4.865 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.036 -8.012 4.109 1.00 0.00 H new ATOM 811 N PRO A 48 9.899 -6.785 4.539 1.00 0.00 N ATOM 812 CA PRO A 48 10.840 -6.119 3.636 1.00 0.00 C ATOM 813 C PRO A 48 10.304 -4.791 3.086 1.00 0.00 C ATOM 814 O PRO A 48 9.507 -4.775 2.135 1.00 0.00 O ATOM 815 CB PRO A 48 11.053 -7.125 2.491 1.00 0.00 C ATOM 816 CG PRO A 48 10.460 -8.408 2.971 1.00 0.00 C ATOM 817 CD PRO A 48 9.398 -8.042 3.963 1.00 0.00 C ATOM 0 HA PRO A 48 11.760 -5.857 4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.567 -6.786 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.113 -7.243 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.037 -8.974 2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.221 -9.038 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.428 -7.908 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.274 -8.813 4.724 1.00 0.00 H new ATOM 825 N ASP A 49 10.681 -3.706 3.760 1.00 0.00 N ATOM 826 CA ASP A 49 10.352 -2.317 3.383 1.00 0.00 C ATOM 827 C ASP A 49 8.879 -2.086 3.158 1.00 0.00 C ATOM 828 O ASP A 49 8.488 -1.307 2.292 1.00 0.00 O ATOM 829 CB ASP A 49 11.178 -1.824 2.183 1.00 0.00 C ATOM 830 CG ASP A 49 12.609 -1.518 2.545 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.864 -0.476 3.208 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.511 -2.310 2.200 1.00 0.00 O ATOM 0 H ASP A 49 11.241 -3.762 4.611 1.00 0.00 H new ATOM 0 HA ASP A 49 10.631 -1.717 4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.160 -2.582 1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.713 -0.929 1.771 1.00 0.00 H new ATOM 837 N CYS A 50 8.067 -2.696 3.977 1.00 0.00 N ATOM 838 CA CYS A 50 6.642 -2.559 3.846 1.00 0.00 C ATOM 839 C CYS A 50 6.136 -1.540 4.859 1.00 0.00 C ATOM 840 O CYS A 50 6.656 -1.450 5.965 1.00 0.00 O ATOM 841 CB CYS A 50 5.973 -3.911 4.058 1.00 0.00 C ATOM 842 SG CYS A 50 6.601 -5.220 2.976 1.00 0.00 S ATOM 0 H CYS A 50 8.369 -3.295 4.745 1.00 0.00 H new ATOM 0 HA CYS A 50 6.396 -2.208 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.110 -4.214 5.096 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.900 -3.804 3.897 1.00 0.00 H new ATOM 0 HG CYS A 50 7.806 -4.923 2.590 1.00 0.00 H new ATOM 848 N TYR A 51 5.175 -0.763 4.456 1.00 0.00 N ATOM 849 CA TYR A 51 4.584 0.284 5.251 1.00 0.00 C ATOM 850 C TYR A 51 3.083 0.133 5.137 1.00 0.00 C ATOM 851 O TYR A 51 2.597 -0.442 4.156 1.00 0.00 O ATOM 852 CB TYR A 51 4.984 1.676 4.710 1.00 0.00 C ATOM 853 CG TYR A 51 6.471 2.012 4.716 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.370 1.343 3.895 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.968 3.007 5.533 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.711 1.653 3.891 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.311 3.326 5.530 1.00 0.00 C ATOM 858 CZ TYR A 51 9.175 2.645 4.707 1.00 0.00 C ATOM 859 OH TYR A 51 10.520 2.959 4.710 1.00 0.00 O ATOM 0 H TYR A 51 4.761 -0.841 3.527 1.00 0.00 H new ATOM 0 HA TYR A 51 4.926 0.206 6.283 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.620 1.760 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.462 2.432 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.008 0.561 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.296 3.545 6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.391 1.116 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.682 4.110 6.174 1.00 0.00 H new ATOM 0 HH TYR A 51 10.685 3.687 5.345 1.00 0.00 H new ATOM 869 N LYS A 52 2.354 0.626 6.095 1.00 0.00 N ATOM 870 CA LYS A 52 0.914 0.491 6.070 1.00 0.00 C ATOM 871 C LYS A 52 0.206 1.794 6.385 1.00 0.00 C ATOM 872 O LYS A 52 0.645 2.575 7.247 1.00 0.00 O ATOM 873 CB LYS A 52 0.446 -0.565 7.078 1.00 0.00 C ATOM 874 CG LYS A 52 0.884 -0.271 8.506 1.00 0.00 C ATOM 875 CD LYS A 52 0.176 -1.143 9.513 1.00 0.00 C ATOM 876 CE LYS A 52 0.755 -0.930 10.896 1.00 0.00 C ATOM 877 NZ LYS A 52 0.019 -1.672 11.927 1.00 0.00 N ATOM 0 H LYS A 52 2.724 1.125 6.904 1.00 0.00 H new ATOM 0 HA LYS A 52 0.657 0.187 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.641 -0.631 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.834 -1.539 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.960 -0.421 8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.689 0.777 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.889 -0.912 9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.273 -2.191 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.799 -1.242 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.738 0.133 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.688 -2.044 12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.659 -1.037 12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.495 -2.462 11.486 1.00 0.00 H new ATOM 891 N ILE A 53 -0.876 2.021 5.701 1.00 0.00 N ATOM 892 CA ILE A 53 -1.770 3.093 6.017 1.00 0.00 C ATOM 893 C ILE A 53 -3.103 2.475 6.303 1.00 0.00 C ATOM 894 O ILE A 53 -3.631 1.703 5.486 1.00 0.00 O ATOM 895 CB ILE A 53 -1.957 4.153 4.886 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.621 4.845 4.564 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.030 5.194 5.315 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.704 5.869 3.446 1.00 0.00 C ATOM 0 H ILE A 53 -1.165 1.460 4.899 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.339 3.633 6.860 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.298 3.650 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.253 5.336 5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.112 4.086 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.158 5.932 4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.978 4.687 5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.707 5.694 6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.279 6.310 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.040 5.382 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.411 6.652 3.721 1.00 0.00 H new ATOM 910 N LYS A 54 -3.617 2.724 7.450 1.00 0.00 N ATOM 911 CA LYS A 54 -4.914 2.271 7.746 1.00 0.00 C ATOM 912 C LYS A 54 -5.884 3.425 7.647 1.00 0.00 C ATOM 913 O LYS A 54 -5.650 4.498 8.196 1.00 0.00 O ATOM 914 CB LYS A 54 -4.968 1.450 9.060 1.00 0.00 C ATOM 915 CG LYS A 54 -4.410 2.094 10.341 1.00 0.00 C ATOM 916 CD LYS A 54 -5.311 3.159 10.930 1.00 0.00 C ATOM 917 CE LYS A 54 -6.726 2.651 11.063 1.00 0.00 C ATOM 918 NZ LYS A 54 -7.539 3.463 11.973 1.00 0.00 N ATOM 0 H LYS A 54 -3.154 3.241 8.198 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.235 1.544 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.009 1.186 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.428 0.518 8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.247 1.316 11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.437 2.534 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.935 3.460 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.296 4.045 10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.196 2.636 10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.705 1.622 11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.542 3.211 11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.245 3.285 12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.408 4.470 11.750 1.00 0.00 H new ATOM 932 N LEU A 55 -6.932 3.217 6.904 1.00 0.00 N ATOM 933 CA LEU A 55 -7.886 4.248 6.592 1.00 0.00 C ATOM 934 C LEU A 55 -8.779 4.500 7.803 1.00 0.00 C ATOM 935 O LEU A 55 -9.687 3.710 8.098 1.00 0.00 O ATOM 936 CB LEU A 55 -8.689 3.827 5.336 1.00 0.00 C ATOM 937 CG LEU A 55 -9.368 4.936 4.499 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.547 5.551 5.208 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.355 6.011 4.143 1.00 0.00 C ATOM 0 H LEU A 55 -7.154 2.312 6.490 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.383 5.188 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.015 3.278 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.463 3.128 5.654 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.746 4.470 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.988 6.324 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.291 4.781 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.216 5.994 6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.841 6.788 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.951 6.448 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.545 5.569 3.563 1.00 0.00 H new ATOM 951 N ARG A 56 -8.492 5.590 8.495 1.00 0.00 N ATOM 952 CA ARG A 56 -9.153 5.977 9.744 1.00 0.00 C ATOM 953 C ARG A 56 -10.678 6.106 9.637 1.00 0.00 C ATOM 954 O ARG A 56 -11.405 5.675 10.527 1.00 0.00 O ATOM 955 CB ARG A 56 -8.531 7.269 10.306 1.00 0.00 C ATOM 956 CG ARG A 56 -8.521 8.447 9.328 1.00 0.00 C ATOM 957 CD ARG A 56 -7.954 9.706 9.960 1.00 0.00 C ATOM 958 NE ARG A 56 -6.609 9.514 10.537 1.00 0.00 N ATOM 959 CZ ARG A 56 -5.884 10.483 11.126 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.278 11.755 11.063 1.00 0.00 N ATOM 961 NH2 ARG A 56 -4.755 10.174 11.751 1.00 0.00 N ATOM 0 H ARG A 56 -7.774 6.252 8.201 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.980 5.155 10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.079 7.561 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.506 7.060 10.614 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.931 8.184 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.537 8.640 8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.910 10.494 9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.632 10.049 10.742 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.200 8.581 10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.134 12.000 10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.723 12.484 11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.439 9.205 11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.203 10.906 12.198 1.00 0.00 H new ATOM 975 N SER A 57 -11.155 6.642 8.552 1.00 0.00 N ATOM 976 CA SER A 57 -12.560 6.889 8.373 1.00 0.00 C ATOM 977 C SER A 57 -13.337 5.690 7.764 1.00 0.00 C ATOM 978 O SER A 57 -14.449 5.866 7.260 1.00 0.00 O ATOM 979 CB SER A 57 -12.698 8.159 7.541 1.00 0.00 C ATOM 980 OG SER A 57 -11.663 8.209 6.567 1.00 0.00 O ATOM 0 H SER A 57 -10.578 6.923 7.759 1.00 0.00 H new ATOM 0 HA SER A 57 -13.024 7.022 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.672 8.181 7.052 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.646 9.036 8.187 1.00 0.00 H new ATOM 0 HG SER A 57 -12.056 8.341 5.679 1.00 0.00 H new ATOM 986 N SER A 58 -12.786 4.476 7.855 1.00 0.00 N ATOM 987 CA SER A 58 -13.494 3.307 7.341 1.00 0.00 C ATOM 988 C SER A 58 -13.028 2.012 8.030 1.00 0.00 C ATOM 989 O SER A 58 -13.848 1.196 8.471 1.00 0.00 O ATOM 990 CB SER A 58 -13.348 3.199 5.811 1.00 0.00 C ATOM 991 OG SER A 58 -14.167 2.169 5.278 1.00 0.00 O ATOM 0 H SER A 58 -11.874 4.282 8.270 1.00 0.00 H new ATOM 0 HA SER A 58 -14.551 3.440 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.615 4.151 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.306 3.004 5.557 1.00 0.00 H new ATOM 0 HG SER A 58 -13.601 1.452 4.923 1.00 0.00 H new ATOM 997 N GLY A 59 -11.732 1.839 8.171 1.00 0.00 N ATOM 998 CA GLY A 59 -11.234 0.620 8.762 1.00 0.00 C ATOM 999 C GLY A 59 -10.573 -0.286 7.743 1.00 0.00 C ATOM 1000 O GLY A 59 -10.469 -1.499 7.942 1.00 0.00 O ATOM 0 H GLY A 59 -11.018 2.512 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.517 0.865 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.057 0.087 9.238 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.135 0.279 6.655 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.422 -0.486 5.658 1.00 0.00 C ATOM 1006 C TYR A 60 -7.939 -0.345 5.871 1.00 0.00 C ATOM 1007 O TYR A 60 -7.483 0.628 6.459 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.814 -0.086 4.238 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.122 -0.686 3.744 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.340 -0.361 4.325 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.129 -1.558 2.660 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.526 -0.888 3.842 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.307 -2.091 2.175 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.502 -1.752 2.767 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.682 -2.268 2.273 1.00 0.00 O ATOM 0 H TYR A 60 -10.256 1.267 6.430 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.700 -1.533 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.888 1.000 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.015 -0.382 3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.363 0.314 5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.194 -1.823 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.465 -0.624 4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.290 -2.770 1.336 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.489 -2.858 1.515 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.209 -1.316 5.440 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.781 -1.344 5.582 1.00 0.00 C ATOM 1027 C ARG A 61 -5.154 -1.486 4.216 1.00 0.00 C ATOM 1028 O ARG A 61 -5.630 -2.273 3.385 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.315 -2.516 6.478 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.496 -2.354 7.998 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.951 -2.317 8.475 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.996 -2.237 9.941 1.00 0.00 N ATOM 1033 CZ ARG A 61 -8.082 -2.288 10.737 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -9.308 -2.269 10.234 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.924 -2.301 12.047 1.00 0.00 N ATOM 0 H ARG A 61 -7.591 -2.135 4.967 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.470 -0.414 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.851 -3.413 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.258 -2.693 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.986 -3.176 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.003 -1.434 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.464 -1.459 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.477 -3.209 8.135 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.098 -2.130 10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.444 -2.215 9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.115 -2.309 10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.987 -2.273 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.739 -2.339 12.659 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.138 -0.720 3.972 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.411 -0.796 2.742 1.00 0.00 C ATOM 1051 C LEU A 62 -1.930 -0.904 3.090 1.00 0.00 C ATOM 1052 O LEU A 62 -1.397 -0.072 3.838 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.743 0.454 1.871 1.00 0.00 C ATOM 1054 CG LEU A 62 -3.187 0.515 0.429 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.911 1.583 -0.365 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.710 0.841 0.422 1.00 0.00 C ATOM 0 H LEU A 62 -3.786 -0.019 4.624 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.690 -1.669 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.828 0.539 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.383 1.334 2.403 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.342 -0.466 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.511 1.617 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.975 1.350 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.768 2.552 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.350 0.876 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.549 1.809 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.165 0.073 0.971 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.287 -1.931 2.581 1.00 0.00 N ATOM 1069 CA VAL A 63 0.112 -2.190 2.849 1.00 0.00 C ATOM 1070 C VAL A 63 0.894 -2.104 1.544 1.00 0.00 C ATOM 1071 O VAL A 63 0.534 -2.744 0.540 1.00 0.00 O ATOM 1072 CB VAL A 63 0.321 -3.597 3.492 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.787 -3.838 3.827 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.538 -3.764 4.742 1.00 0.00 C ATOM 0 H VAL A 63 -1.723 -2.616 1.964 1.00 0.00 H new ATOM 0 HA VAL A 63 0.471 -1.442 3.556 1.00 0.00 H new ATOM 0 HB VAL A 63 0.010 -4.339 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.901 -4.826 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.383 -3.781 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.129 -3.080 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.372 -4.753 5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.267 -3.003 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.590 -3.655 4.478 1.00 0.00 H new ATOM 1084 N TYR A 64 1.939 -1.328 1.546 1.00 0.00 N ATOM 1085 CA TYR A 64 2.740 -1.124 0.370 1.00 0.00 C ATOM 1086 C TYR A 64 4.210 -1.246 0.696 1.00 0.00 C ATOM 1087 O TYR A 64 4.595 -1.112 1.836 1.00 0.00 O ATOM 1088 CB TYR A 64 2.425 0.241 -0.288 1.00 0.00 C ATOM 1089 CG TYR A 64 2.545 1.471 0.612 1.00 0.00 C ATOM 1090 CD1 TYR A 64 3.772 1.937 1.057 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.419 2.184 0.973 1.00 0.00 C ATOM 1092 CE1 TYR A 64 3.868 3.069 1.833 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.504 3.314 1.753 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.736 3.752 2.181 1.00 0.00 C ATOM 1095 OH TYR A 64 2.836 4.879 2.955 1.00 0.00 O ATOM 0 H TYR A 64 2.263 -0.816 2.367 1.00 0.00 H new ATOM 0 HA TYR A 64 2.489 -1.903 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.094 0.373 -1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.410 0.204 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.671 1.401 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.450 1.847 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.835 3.417 2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.610 3.854 2.028 1.00 0.00 H new ATOM 0 HH TYR A 64 3.694 5.320 2.782 1.00 0.00 H new ATOM 1105 N GLN A 65 5.010 -1.519 -0.286 1.00 0.00 N ATOM 1106 CA GLN A 65 6.432 -1.584 -0.095 1.00 0.00 C ATOM 1107 C GLN A 65 7.053 -0.338 -0.696 1.00 0.00 C ATOM 1108 O GLN A 65 6.633 0.118 -1.766 1.00 0.00 O ATOM 1109 CB GLN A 65 7.027 -2.847 -0.745 1.00 0.00 C ATOM 1110 CG GLN A 65 6.999 -2.844 -2.267 1.00 0.00 C ATOM 1111 CD GLN A 65 7.537 -4.108 -2.876 1.00 0.00 C ATOM 1112 OE1 GLN A 65 6.795 -5.036 -3.169 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.824 -4.176 -3.025 1.00 0.00 N ATOM 0 H GLN A 65 4.702 -1.703 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 65 6.650 -1.637 0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.059 -2.960 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.479 -3.718 -0.385 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.973 -2.695 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.580 -1.997 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.410 -3.381 -2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.250 -5.024 -3.398 1.00 0.00 H new ATOM 1122 N VAL A 66 7.997 0.229 -0.022 1.00 0.00 N ATOM 1123 CA VAL A 66 8.672 1.390 -0.538 1.00 0.00 C ATOM 1124 C VAL A 66 10.070 0.999 -0.942 1.00 0.00 C ATOM 1125 O VAL A 66 10.904 0.673 -0.092 1.00 0.00 O ATOM 1126 CB VAL A 66 8.723 2.555 0.503 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.537 3.733 -0.013 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.323 3.020 0.866 1.00 0.00 C ATOM 0 H VAL A 66 8.325 -0.088 0.890 1.00 0.00 H new ATOM 0 HA VAL A 66 8.113 1.756 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 66 9.212 2.165 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.550 4.523 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.558 3.409 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.087 4.112 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.386 3.831 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.813 3.374 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.764 2.190 1.297 1.00 0.00 H new ATOM 1138 N ILE A 67 10.327 1.008 -2.220 1.00 0.00 N ATOM 1139 CA ILE A 67 11.631 0.701 -2.707 1.00 0.00 C ATOM 1140 C ILE A 67 12.328 2.012 -2.948 1.00 0.00 C ATOM 1141 O ILE A 67 12.062 2.692 -3.937 1.00 0.00 O ATOM 1142 CB ILE A 67 11.607 -0.106 -4.027 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.651 -1.299 -3.919 1.00 0.00 C ATOM 1144 CG2 ILE A 67 13.020 -0.602 -4.343 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.500 -2.078 -5.213 1.00 0.00 C ATOM 0 H ILE A 67 9.642 1.227 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 67 12.143 0.081 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 67 11.255 0.543 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.010 -1.972 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.671 -0.941 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.006 -1.171 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.690 0.251 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.371 -1.240 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.809 -2.907 -5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.111 -1.420 -5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.471 -2.467 -5.519 1.00 0.00 H new ATOM 1157 N ASP A 68 13.178 2.371 -2.041 1.00 0.00 N ATOM 1158 CA ASP A 68 13.902 3.629 -2.083 1.00 0.00 C ATOM 1159 C ASP A 68 14.896 3.660 -3.221 1.00 0.00 C ATOM 1160 O ASP A 68 15.056 4.682 -3.884 1.00 0.00 O ATOM 1161 CB ASP A 68 14.593 3.886 -0.744 1.00 0.00 C ATOM 1162 CG ASP A 68 15.462 5.118 -0.753 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.944 6.234 -0.563 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.691 4.986 -0.933 1.00 0.00 O ATOM 0 H ASP A 68 13.403 1.796 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 68 13.182 4.427 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.837 3.988 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.203 3.021 -0.485 1.00 0.00 H new ATOM 1169 N GLU A 69 15.508 2.525 -3.486 1.00 0.00 N ATOM 1170 CA GLU A 69 16.491 2.403 -4.556 1.00 0.00 C ATOM 1171 C GLU A 69 15.869 2.680 -5.915 1.00 0.00 C ATOM 1172 O GLU A 69 16.458 3.356 -6.757 1.00 0.00 O ATOM 1173 CB GLU A 69 17.076 1.010 -4.564 1.00 0.00 C ATOM 1174 CG GLU A 69 17.873 0.653 -3.338 1.00 0.00 C ATOM 1175 CD GLU A 69 18.317 -0.772 -3.380 1.00 0.00 C ATOM 1176 OE1 GLU A 69 19.181 -1.116 -4.207 1.00 0.00 O ATOM 1177 OE2 GLU A 69 17.786 -1.584 -2.632 1.00 0.00 O ATOM 0 H GLU A 69 15.343 1.660 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 69 17.273 3.140 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.264 0.291 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.716 0.905 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.743 1.306 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.270 0.823 -2.446 1.00 0.00 H new ATOM 1184 N LYS A 70 14.670 2.192 -6.110 1.00 0.00 N ATOM 1185 CA LYS A 70 13.986 2.347 -7.380 1.00 0.00 C ATOM 1186 C LYS A 70 13.063 3.558 -7.346 1.00 0.00 C ATOM 1187 O LYS A 70 12.480 3.929 -8.365 1.00 0.00 O ATOM 1188 CB LYS A 70 13.197 1.078 -7.721 1.00 0.00 C ATOM 1189 CG LYS A 70 14.053 -0.169 -7.893 1.00 0.00 C ATOM 1190 CD LYS A 70 13.190 -1.393 -8.174 1.00 0.00 C ATOM 1191 CE LYS A 70 14.036 -2.646 -8.346 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.213 -3.862 -8.545 1.00 0.00 N ATOM 0 H LYS A 70 14.140 1.680 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 70 14.733 2.508 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.467 0.896 -6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.637 1.249 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.757 -0.021 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.643 -0.336 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.486 -1.538 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.601 -1.224 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.701 -2.517 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.667 -2.778 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.835 -4.688 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.596 -4.003 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.629 -3.750 -9.398 1.00 0.00 H new ATOM 1206 N VAL A 71 12.950 4.165 -6.157 1.00 0.00 N ATOM 1207 CA VAL A 71 12.118 5.356 -5.915 1.00 0.00 C ATOM 1208 C VAL A 71 10.641 5.046 -6.280 1.00 0.00 C ATOM 1209 O VAL A 71 9.898 5.882 -6.759 1.00 0.00 O ATOM 1210 CB VAL A 71 12.687 6.606 -6.705 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.960 7.906 -6.356 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.176 6.770 -6.435 1.00 0.00 C ATOM 0 H VAL A 71 13.440 3.840 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 71 12.150 5.615 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 71 12.519 6.409 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.391 8.729 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.903 7.809 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.067 8.108 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.553 7.633 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.338 6.921 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.705 5.874 -6.759 1.00 0.00 H new ATOM 1222 N VAL A 72 10.213 3.846 -5.980 1.00 0.00 N ATOM 1223 CA VAL A 72 8.869 3.433 -6.319 1.00 0.00 C ATOM 1224 C VAL A 72 8.238 2.649 -5.178 1.00 0.00 C ATOM 1225 O VAL A 72 8.908 1.874 -4.478 1.00 0.00 O ATOM 1226 CB VAL A 72 8.815 2.631 -7.667 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.647 1.375 -7.606 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.380 2.312 -8.086 1.00 0.00 C ATOM 0 H VAL A 72 10.771 3.138 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 72 8.282 4.339 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 72 9.246 3.279 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.582 0.849 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.686 1.636 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.275 0.730 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.390 1.756 -9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.900 1.711 -7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.825 3.241 -8.220 1.00 0.00 H new ATOM 1238 N VAL A 73 6.992 2.907 -4.967 1.00 0.00 N ATOM 1239 CA VAL A 73 6.202 2.291 -3.956 1.00 0.00 C ATOM 1240 C VAL A 73 5.207 1.342 -4.620 1.00 0.00 C ATOM 1241 O VAL A 73 4.461 1.752 -5.504 1.00 0.00 O ATOM 1242 CB VAL A 73 5.420 3.376 -3.171 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.582 2.772 -2.076 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.355 4.438 -2.611 1.00 0.00 C ATOM 0 H VAL A 73 6.472 3.586 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 73 6.847 1.742 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 73 4.746 3.859 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.049 3.562 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.863 2.076 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.226 2.239 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.775 5.183 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.072 3.972 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.889 4.921 -3.429 1.00 0.00 H new ATOM 1254 N PHE A 74 5.211 0.096 -4.214 1.00 0.00 N ATOM 1255 CA PHE A 74 4.286 -0.889 -4.755 1.00 0.00 C ATOM 1256 C PHE A 74 3.326 -1.351 -3.687 1.00 0.00 C ATOM 1257 O PHE A 74 3.745 -1.920 -2.686 1.00 0.00 O ATOM 1258 CB PHE A 74 5.007 -2.118 -5.335 1.00 0.00 C ATOM 1259 CG PHE A 74 5.771 -1.888 -6.599 1.00 0.00 C ATOM 1260 CD1 PHE A 74 5.110 -1.787 -7.807 1.00 0.00 C ATOM 1261 CD2 PHE A 74 7.149 -1.807 -6.589 1.00 0.00 C ATOM 1262 CE1 PHE A 74 5.807 -1.605 -8.981 1.00 0.00 C ATOM 1263 CE2 PHE A 74 7.852 -1.622 -7.760 1.00 0.00 C ATOM 1264 CZ PHE A 74 7.182 -1.522 -8.957 1.00 0.00 C ATOM 0 H PHE A 74 5.847 -0.269 -3.505 1.00 0.00 H new ATOM 0 HA PHE A 74 3.747 -0.396 -5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.695 -2.501 -4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.267 -2.898 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.032 -1.852 -7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.682 -1.889 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.277 -1.528 -9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.930 -1.556 -7.738 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.732 -1.379 -9.875 1.00 0.00 H new ATOM 1274 N VAL A 75 2.061 -1.089 -3.884 1.00 0.00 N ATOM 1275 CA VAL A 75 1.023 -1.556 -2.970 1.00 0.00 C ATOM 1276 C VAL A 75 0.922 -3.063 -3.095 1.00 0.00 C ATOM 1277 O VAL A 75 0.681 -3.552 -4.178 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.350 -0.914 -3.307 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.451 -1.435 -2.389 1.00 0.00 C ATOM 1280 CG2 VAL A 75 -0.261 0.607 -3.239 1.00 0.00 C ATOM 0 H VAL A 75 1.710 -0.549 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 75 1.287 -1.269 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.611 -1.200 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.398 -0.964 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.539 -2.516 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.204 -1.198 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.233 1.039 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.033 0.910 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.480 0.961 -3.956 1.00 0.00 H new ATOM 1290 N ILE A 76 1.113 -3.784 -2.002 1.00 0.00 N ATOM 1291 CA ILE A 76 1.121 -5.242 -2.055 1.00 0.00 C ATOM 1292 C ILE A 76 -0.245 -5.799 -1.688 1.00 0.00 C ATOM 1293 O ILE A 76 -0.762 -6.706 -2.351 1.00 0.00 O ATOM 1294 CB ILE A 76 2.159 -5.851 -1.066 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.566 -5.301 -1.317 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.171 -7.381 -1.173 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.602 -5.838 -0.344 1.00 0.00 C ATOM 0 H ILE A 76 1.264 -3.390 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 76 1.387 -5.513 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 76 1.857 -5.564 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.870 -5.549 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.541 -4.213 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.902 -7.789 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.182 -7.770 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.438 -7.673 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.577 -5.409 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.320 -5.567 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.653 -6.923 -0.430 1.00 0.00 H new ATOM 1309 N SER A 77 -0.842 -5.247 -0.672 1.00 0.00 N ATOM 1310 CA SER A 77 -2.094 -5.744 -0.198 1.00 0.00 C ATOM 1311 C SER A 77 -3.001 -4.597 0.218 1.00 0.00 C ATOM 1312 O SER A 77 -2.534 -3.570 0.722 1.00 0.00 O ATOM 1313 CB SER A 77 -1.850 -6.748 0.952 1.00 0.00 C ATOM 1314 OG SER A 77 -1.045 -6.184 1.982 1.00 0.00 O ATOM 0 H SER A 77 -0.476 -4.447 -0.155 1.00 0.00 H new ATOM 0 HA SER A 77 -2.607 -6.274 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.807 -7.063 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.364 -7.641 0.558 1.00 0.00 H new ATOM 0 HG SER A 77 -1.042 -6.781 2.759 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.276 -4.749 -0.035 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.247 -3.756 0.318 1.00 0.00 C ATOM 1322 C VAL A 78 -6.572 -4.449 0.625 1.00 0.00 C ATOM 1323 O VAL A 78 -6.907 -5.474 0.003 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.407 -2.669 -0.809 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.849 -3.274 -2.134 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.353 -1.555 -0.384 1.00 0.00 C ATOM 0 H VAL A 78 -4.668 -5.571 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.906 -3.224 1.206 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.419 -2.235 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.946 -2.485 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.108 -4.000 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.811 -3.771 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.438 -0.824 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.336 -1.974 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.963 -1.068 0.510 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.266 -3.957 1.619 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.546 -4.504 1.982 1.00 0.00 C ATOM 1338 C GLY A 79 -8.802 -4.330 3.451 1.00 0.00 C ATOM 1339 O GLY A 79 -8.466 -3.296 4.017 1.00 0.00 O ATOM 0 H GLY A 79 -6.962 -3.172 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.333 -4.011 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.580 -5.563 1.725 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.374 -5.314 4.078 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.655 -5.251 5.493 1.00 0.00 C ATOM 1345 C LYS A 80 -8.872 -6.316 6.223 1.00 0.00 C ATOM 1346 O LYS A 80 -8.492 -7.330 5.636 1.00 0.00 O ATOM 1347 CB LYS A 80 -11.154 -5.421 5.782 1.00 0.00 C ATOM 1348 CG LYS A 80 -12.040 -4.330 5.191 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.518 -4.553 5.511 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.801 -4.480 7.006 1.00 0.00 C ATOM 1351 NZ LYS A 80 -15.230 -4.699 7.318 1.00 0.00 N ATOM 0 H LYS A 80 -9.661 -6.184 3.630 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.354 -4.265 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.479 -6.386 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.302 -5.447 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.728 -3.360 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.904 -4.299 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.117 -3.804 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.827 -5.527 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.200 -5.227 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.494 -3.505 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.374 -4.640 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.804 -3.971 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.519 -5.640 6.981 1.00 0.00 H new ATOM 1365 N ALA A 81 -8.630 -6.081 7.482 1.00 0.00 N ATOM 1366 CA ALA A 81 -7.922 -7.007 8.314 1.00 0.00 C ATOM 1367 C ALA A 81 -8.713 -7.198 9.578 1.00 0.00 C ATOM 1368 O ALA A 81 -9.099 -6.212 10.223 1.00 0.00 O ATOM 1369 CB ALA A 81 -6.535 -6.473 8.643 1.00 0.00 C ATOM 0 H ALA A 81 -8.923 -5.231 7.963 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.803 -7.958 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.010 -7.189 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.974 -6.325 7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.626 -5.523 9.169 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.993 -8.858 6.126 1.00 0.00 N ATOM 1427 CA VAL A 86 -3.300 -8.023 5.136 1.00 0.00 C ATOM 1428 C VAL A 86 -1.770 -8.155 5.217 1.00 0.00 C ATOM 1429 O VAL A 86 -1.070 -7.972 4.218 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.721 -6.526 5.219 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -5.202 -6.365 4.909 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.387 -5.925 6.582 1.00 0.00 C ATOM 0 HA VAL A 86 -3.615 -8.405 4.165 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.149 -5.981 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.475 -5.312 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.405 -6.732 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.789 -6.936 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.695 -4.880 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.915 -6.475 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.313 -5.991 6.755 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.272 -8.519 6.390 1.00 0.00 N ATOM 1443 CA TYR A 87 0.157 -8.685 6.603 1.00 0.00 C ATOM 1444 C TYR A 87 0.570 -10.034 6.051 1.00 0.00 C ATOM 1445 O TYR A 87 1.567 -10.157 5.335 1.00 0.00 O ATOM 1446 CB TYR A 87 0.495 -8.626 8.098 1.00 0.00 C ATOM 1447 CG TYR A 87 0.046 -7.365 8.804 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -1.227 -7.270 9.345 1.00 0.00 C ATOM 1449 CD2 TYR A 87 0.892 -6.280 8.939 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -1.646 -6.134 9.996 1.00 0.00 C ATOM 1451 CE2 TYR A 87 0.481 -5.138 9.592 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.787 -5.070 10.118 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.199 -3.932 10.774 1.00 0.00 O ATOM 0 H TYR A 87 -1.843 -8.706 7.214 1.00 0.00 H new ATOM 0 HA TYR A 87 0.691 -7.880 6.097 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.039 -9.484 8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.574 -8.726 8.216 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.904 -8.106 9.253 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.889 -6.328 8.527 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.643 -6.079 10.408 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.154 -4.299 9.690 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.853 -4.171 11.463 1.00 0.00 H new ATOM 1463 N SER A 88 -0.233 -11.032 6.367 1.00 0.00 N ATOM 1464 CA SER A 88 -0.020 -12.378 5.921 1.00 0.00 C ATOM 1465 C SER A 88 -0.100 -12.465 4.404 1.00 0.00 C ATOM 1466 O SER A 88 0.748 -13.086 3.779 1.00 0.00 O ATOM 1467 CB SER A 88 -1.024 -13.290 6.607 1.00 0.00 C ATOM 1468 OG SER A 88 -0.926 -13.129 8.022 1.00 0.00 O ATOM 0 H SER A 88 -1.062 -10.919 6.950 1.00 0.00 H new ATOM 0 HA SER A 88 0.983 -12.706 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.034 -13.053 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.833 -14.328 6.335 1.00 0.00 H new ATOM 0 HG SER A 88 -1.575 -13.716 8.464 1.00 0.00 H new ATOM 1474 N GLU A 89 -1.075 -11.798 3.813 1.00 0.00 N ATOM 1475 CA GLU A 89 -1.206 -11.763 2.362 1.00 0.00 C ATOM 1476 C GLU A 89 -0.045 -11.025 1.694 1.00 0.00 C ATOM 1477 O GLU A 89 0.319 -11.318 0.550 1.00 0.00 O ATOM 1478 CB GLU A 89 -2.556 -11.209 1.939 1.00 0.00 C ATOM 1479 CG GLU A 89 -3.691 -12.184 2.196 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.545 -13.444 1.361 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -4.028 -13.460 0.214 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -2.939 -14.430 1.822 1.00 0.00 O ATOM 0 H GLU A 89 -1.791 -11.271 4.314 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.157 -12.794 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.749 -10.281 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.527 -10.961 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.712 -12.448 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.643 -11.704 1.968 1.00 0.00 H new ATOM 1489 N ALA A 90 0.544 -10.085 2.403 1.00 0.00 N ATOM 1490 CA ALA A 90 1.688 -9.370 1.890 1.00 0.00 C ATOM 1491 C ALA A 90 2.895 -10.308 1.807 1.00 0.00 C ATOM 1492 O ALA A 90 3.538 -10.415 0.762 1.00 0.00 O ATOM 1493 CB ALA A 90 1.996 -8.150 2.744 1.00 0.00 C ATOM 0 H ALA A 90 0.248 -9.800 3.336 1.00 0.00 H new ATOM 0 HA ALA A 90 1.457 -9.014 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.862 -7.629 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.136 -7.480 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.210 -8.465 3.765 1.00 0.00 H new