USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -96:sc=-0.00949 (180deg=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0.659 (180deg=0.604) USER MOD Single : A 15 MET CE :methyl -144:sc= -0.0675 (180deg=-0.488) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.611 X(o=-0.61,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.744 USER MOD Single : A 48 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.46) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -112:sc= 1.02 USER MOD Single : A 64 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.65) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.558 USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= -0.178 (180deg=-0.772) USER MOD Single : A 72 ASN : amide:sc= -0.0738 X(o=-0.074,f=-0.0018) USER MOD Single : A 73 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.206) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.04 (180deg=-0.357) USER MOD Single : A 78 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.43) USER MOD Single : A 86 ASN : amide:sc= -2.17 K(o=-2.2,f=-3.5) USER MOD Single : A 87 ASN : amide:sc= -0.656 K(o=-0.66,f=-5.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 4.001 -1.122 -2.133 1.00 52.22 N ATOM 19 CA THR A 2 5.247 -1.876 -2.172 1.00 71.54 C ATOM 20 C THR A 2 6.451 -0.958 -2.000 1.00 65.22 C ATOM 21 O THR A 2 7.597 -1.388 -2.141 1.00 55.12 O ATOM 22 CB THR A 2 5.392 -2.653 -3.495 1.00 3.41 C ATOM 23 OG1 THR A 2 5.667 -1.745 -4.568 1.00 22.01 O ATOM 24 CG2 THR A 2 4.128 -3.441 -3.802 1.00 13.52 C ATOM 0 HA THR A 2 5.214 -2.585 -1.345 1.00 71.54 H new ATOM 0 HB THR A 2 6.220 -3.354 -3.390 1.00 3.41 H new ATOM 0 HG1 THR A 2 5.759 -2.246 -5.405 1.00 22.01 H new ATOM 0 HG21 THR A 2 4.255 -3.981 -4.740 1.00 13.52 H new ATOM 0 HG22 THR A 2 3.938 -4.151 -2.997 1.00 13.52 H new ATOM 0 HG23 THR A 2 3.284 -2.756 -3.888 1.00 13.52 H new ATOM 32 N ARG A 3 6.186 0.307 -1.694 1.00 51.40 N ATOM 33 CA ARG A 3 7.249 1.287 -1.503 1.00 21.40 C ATOM 34 C ARG A 3 7.899 1.123 -0.132 1.00 62.33 C ATOM 35 O ARG A 3 7.367 0.436 0.740 1.00 21.01 O ATOM 36 CB ARG A 3 6.697 2.706 -1.651 1.00 63.43 C ATOM 37 CG ARG A 3 6.079 2.979 -3.012 1.00 53.54 C ATOM 38 CD ARG A 3 7.105 2.848 -4.127 1.00 53.51 C ATOM 39 NE ARG A 3 8.261 3.713 -3.911 1.00 4.42 N ATOM 40 CZ ARG A 3 9.312 3.753 -4.723 1.00 54.02 C ATOM 41 NH1 ARG A 3 9.350 2.981 -5.800 1.00 61.13 N ATOM 42 NH2 ARG A 3 10.326 4.567 -4.459 1.00 71.40 N ATOM 0 H ARG A 3 5.244 0.678 -1.573 1.00 51.40 H new ATOM 0 HA ARG A 3 8.007 1.118 -2.268 1.00 21.40 H new ATOM 0 HB2 ARG A 3 5.946 2.877 -0.879 1.00 63.43 H new ATOM 0 HB3 ARG A 3 7.502 3.420 -1.477 1.00 63.43 H new ATOM 0 HG2 ARG A 3 5.259 2.282 -3.187 1.00 53.54 H new ATOM 0 HG3 ARG A 3 5.653 3.982 -3.025 1.00 53.54 H new ATOM 0 HD2 ARG A 3 7.436 1.812 -4.196 1.00 53.51 H new ATOM 0 HD3 ARG A 3 6.639 3.098 -5.080 1.00 53.51 H new ATOM 0 HE ARG A 3 8.262 4.320 -3.091 1.00 4.42 H new ATOM 0 HH11 ARG A 3 8.572 2.355 -6.006 1.00 61.13 H new ATOM 0 HH12 ARG A 3 10.158 3.013 -6.422 1.00 61.13 H new ATOM 0 HH21 ARG A 3 10.299 5.163 -3.632 1.00 71.40 H new ATOM 0 HH22 ARG A 3 11.132 4.597 -5.083 1.00 71.40 H new ATOM 56 N ASP A 4 9.052 1.757 0.049 1.00 0.25 N ATOM 57 CA ASP A 4 9.775 1.683 1.314 1.00 72.41 C ATOM 58 C ASP A 4 9.339 2.800 2.256 1.00 51.51 C ATOM 59 O ASP A 4 8.788 3.813 1.822 1.00 23.30 O ATOM 60 CB ASP A 4 11.282 1.764 1.070 1.00 65.45 C ATOM 61 CG ASP A 4 11.723 3.144 0.623 1.00 23.24 C ATOM 62 OD1 ASP A 4 11.449 3.508 -0.539 1.00 74.24 O ATOM 63 OD2 ASP A 4 12.342 3.860 1.437 1.00 4.32 O ATOM 0 H ASP A 4 9.506 2.328 -0.664 1.00 0.25 H new ATOM 0 HA ASP A 4 9.541 0.727 1.782 1.00 72.41 H new ATOM 0 HB2 ASP A 4 11.810 1.496 1.985 1.00 65.45 H new ATOM 0 HB3 ASP A 4 11.564 1.033 0.313 1.00 65.45 H new ATOM 68 N PHE A 5 9.588 2.610 3.547 1.00 32.12 N ATOM 69 CA PHE A 5 9.219 3.601 4.551 1.00 2.13 C ATOM 70 C PHE A 5 10.461 4.222 5.184 1.00 21.35 C ATOM 71 O PHE A 5 11.590 3.875 4.835 1.00 13.12 O ATOM 72 CB PHE A 5 8.347 2.962 5.633 1.00 35.24 C ATOM 73 CG PHE A 5 6.886 2.930 5.285 1.00 51.44 C ATOM 74 CD1 PHE A 5 6.058 3.990 5.618 1.00 74.12 C ATOM 75 CD2 PHE A 5 6.341 1.841 4.624 1.00 42.01 C ATOM 76 CE1 PHE A 5 4.713 3.964 5.298 1.00 41.41 C ATOM 77 CE2 PHE A 5 4.998 1.810 4.301 1.00 12.11 C ATOM 78 CZ PHE A 5 4.182 2.872 4.640 1.00 44.44 C ATOM 0 H PHE A 5 10.044 1.779 3.923 1.00 32.12 H new ATOM 0 HA PHE A 5 8.652 4.389 4.056 1.00 2.13 H new ATOM 0 HB2 PHE A 5 8.692 1.944 5.812 1.00 35.24 H new ATOM 0 HB3 PHE A 5 8.478 3.511 6.565 1.00 35.24 H new ATOM 0 HD1 PHE A 5 6.468 4.846 6.133 1.00 74.12 H new ATOM 0 HD2 PHE A 5 6.973 1.007 4.358 1.00 42.01 H new ATOM 0 HE1 PHE A 5 4.078 4.797 5.562 1.00 41.41 H new ATOM 0 HE2 PHE A 5 4.586 0.956 3.784 1.00 12.11 H new ATOM 0 HZ PHE A 5 3.131 2.848 4.391 1.00 44.44 H new ATOM 88 N LYS A 6 10.245 5.142 6.118 1.00 53.21 N ATOM 89 CA LYS A 6 11.344 5.812 6.802 1.00 43.31 C ATOM 90 C LYS A 6 11.365 5.451 8.284 1.00 74.44 C ATOM 91 O LYS A 6 10.342 5.108 8.878 1.00 61.25 O ATOM 92 CB LYS A 6 11.225 7.329 6.638 1.00 44.22 C ATOM 93 CG LYS A 6 10.132 7.949 7.490 1.00 13.21 C ATOM 94 CD LYS A 6 9.659 9.274 6.914 1.00 22.50 C ATOM 95 CE LYS A 6 10.783 10.298 6.877 1.00 20.20 C ATOM 96 NZ LYS A 6 11.410 10.385 5.529 1.00 20.11 N ATOM 0 H LYS A 6 9.317 5.441 6.419 1.00 53.21 H new ATOM 0 HA LYS A 6 12.278 5.475 6.351 1.00 43.31 H new ATOM 0 HB2 LYS A 6 12.179 7.790 6.894 1.00 44.22 H new ATOM 0 HB3 LYS A 6 11.031 7.559 5.590 1.00 44.22 H new ATOM 0 HG2 LYS A 6 9.290 7.261 7.560 1.00 13.21 H new ATOM 0 HG3 LYS A 6 10.503 8.103 8.503 1.00 13.21 H new ATOM 0 HD2 LYS A 6 9.275 9.117 5.906 1.00 22.50 H new ATOM 0 HD3 LYS A 6 8.834 9.659 7.514 1.00 22.50 H new ATOM 0 HE2 LYS A 6 10.393 11.276 7.160 1.00 20.20 H new ATOM 0 HE3 LYS A 6 11.541 10.032 7.614 1.00 20.20 H new ATOM 0 HZ1 LYS A 6 12.259 9.785 5.502 1.00 20.11 H new ATOM 0 HZ2 LYS A 6 10.733 10.060 4.810 1.00 20.11 H new ATOM 0 HZ3 LYS A 6 11.676 11.371 5.333 1.00 20.11 H new ATOM 110 N PRO A 7 12.555 5.529 8.897 1.00 50.34 N ATOM 111 CA PRO A 7 12.736 5.216 10.317 1.00 20.02 C ATOM 112 C PRO A 7 12.089 6.255 11.227 1.00 72.51 C ATOM 113 O PRO A 7 12.473 7.423 11.222 1.00 15.43 O ATOM 114 CB PRO A 7 14.257 5.226 10.492 1.00 72.25 C ATOM 115 CG PRO A 7 14.756 6.118 9.408 1.00 5.34 C ATOM 116 CD PRO A 7 13.816 5.931 8.250 1.00 33.14 C ATOM 0 HA PRO A 7 12.268 4.270 10.588 1.00 20.02 H new ATOM 0 HB2 PRO A 7 14.540 5.601 11.475 1.00 72.25 H new ATOM 0 HB3 PRO A 7 14.673 4.222 10.402 1.00 72.25 H new ATOM 0 HG2 PRO A 7 14.770 7.158 9.734 1.00 5.34 H new ATOM 0 HG3 PRO A 7 15.777 5.858 9.128 1.00 5.34 H new ATOM 0 HD2 PRO A 7 13.698 6.850 7.676 1.00 33.14 H new ATOM 0 HD3 PRO A 7 14.175 5.167 7.560 1.00 33.14 H new ATOM 124 N GLY A 8 11.104 5.820 12.008 1.00 63.52 N ATOM 125 CA GLY A 8 10.420 6.725 12.912 1.00 20.34 C ATOM 126 C GLY A 8 9.048 7.123 12.406 1.00 41.42 C ATOM 127 O GLY A 8 8.370 7.951 13.015 1.00 3.02 O ATOM 0 H GLY A 8 10.768 4.857 12.030 1.00 63.52 H new ATOM 0 HA2 GLY A 8 10.320 6.251 13.889 1.00 20.34 H new ATOM 0 HA3 GLY A 8 11.026 7.620 13.052 1.00 20.34 H new ATOM 131 N ASP A 9 8.638 6.535 11.287 1.00 4.25 N ATOM 132 CA ASP A 9 7.338 6.834 10.698 1.00 3.13 C ATOM 133 C ASP A 9 6.222 6.124 11.457 1.00 34.21 C ATOM 134 O ASP A 9 6.375 4.977 11.879 1.00 22.21 O ATOM 135 CB ASP A 9 7.314 6.421 9.226 1.00 65.30 C ATOM 136 CG ASP A 9 6.766 7.511 8.327 1.00 11.42 C ATOM 137 OD1 ASP A 9 7.038 8.699 8.601 1.00 11.33 O ATOM 138 OD2 ASP A 9 6.065 7.177 7.349 1.00 4.22 O ATOM 0 H ASP A 9 9.187 5.849 10.770 1.00 4.25 H new ATOM 0 HA ASP A 9 7.173 7.909 10.768 1.00 3.13 H new ATOM 0 HB2 ASP A 9 8.324 6.165 8.907 1.00 65.30 H new ATOM 0 HB3 ASP A 9 6.707 5.522 9.114 1.00 65.30 H new ATOM 143 N LEU A 10 5.099 6.813 11.628 1.00 34.50 N ATOM 144 CA LEU A 10 3.955 6.248 12.337 1.00 5.22 C ATOM 145 C LEU A 10 3.084 5.423 11.396 1.00 61.21 C ATOM 146 O LEU A 10 2.386 5.969 10.542 1.00 52.44 O ATOM 147 CB LEU A 10 3.124 7.363 12.974 1.00 41.31 C ATOM 148 CG LEU A 10 3.862 8.272 13.957 1.00 12.54 C ATOM 149 CD1 LEU A 10 4.770 7.454 14.863 1.00 55.43 C ATOM 150 CD2 LEU A 10 4.663 9.329 13.210 1.00 73.53 C ATOM 0 H LEU A 10 4.956 7.763 11.286 1.00 34.50 H new ATOM 0 HA LEU A 10 4.333 5.591 13.121 1.00 5.22 H new ATOM 0 HB2 LEU A 10 2.712 7.982 12.177 1.00 41.31 H new ATOM 0 HB3 LEU A 10 2.280 6.909 13.494 1.00 41.31 H new ATOM 0 HG LEU A 10 3.123 8.777 14.578 1.00 12.54 H new ATOM 0 HD11 LEU A 10 5.287 8.118 15.556 1.00 55.43 H new ATOM 0 HD12 LEU A 10 4.172 6.737 15.426 1.00 55.43 H new ATOM 0 HD13 LEU A 10 5.502 6.920 14.258 1.00 55.43 H new ATOM 0 HD21 LEU A 10 5.181 9.966 13.926 1.00 73.53 H new ATOM 0 HD22 LEU A 10 5.393 8.843 12.563 1.00 73.53 H new ATOM 0 HD23 LEU A 10 3.989 9.936 12.605 1.00 73.53 H new ATOM 162 N ILE A 11 3.129 4.105 11.560 1.00 54.01 N ATOM 163 CA ILE A 11 2.341 3.205 10.727 1.00 13.00 C ATOM 164 C ILE A 11 1.787 2.043 11.545 1.00 52.14 C ATOM 165 O ILE A 11 2.447 1.539 12.453 1.00 30.13 O ATOM 166 CB ILE A 11 3.174 2.645 9.559 1.00 54.01 C ATOM 167 CG1 ILE A 11 4.414 1.923 10.089 1.00 43.14 C ATOM 168 CG2 ILE A 11 3.571 3.764 8.607 1.00 32.25 C ATOM 169 CD1 ILE A 11 4.181 0.458 10.385 1.00 14.31 C ATOM 0 H ILE A 11 3.703 3.637 12.262 1.00 54.01 H new ATOM 0 HA ILE A 11 1.514 3.790 10.325 1.00 13.00 H new ATOM 0 HB ILE A 11 2.566 1.926 9.010 1.00 54.01 H new ATOM 0 HG12 ILE A 11 5.217 2.014 9.358 1.00 43.14 H new ATOM 0 HG13 ILE A 11 4.752 2.420 10.998 1.00 43.14 H new ATOM 0 HG21 ILE A 11 4.159 3.352 7.787 1.00 32.25 H new ATOM 0 HG22 ILE A 11 2.674 4.238 8.208 1.00 32.25 H new ATOM 0 HG23 ILE A 11 4.165 4.504 9.143 1.00 32.25 H new ATOM 0 HD11 ILE A 11 5.103 0.011 10.757 1.00 14.31 H new ATOM 0 HD12 ILE A 11 3.400 0.359 11.139 1.00 14.31 H new ATOM 0 HD13 ILE A 11 3.872 -0.053 9.473 1.00 14.31 H new ATOM 181 N PHE A 12 0.571 1.621 11.214 1.00 14.24 N ATOM 182 CA PHE A 12 -0.073 0.517 11.917 1.00 3.34 C ATOM 183 C PHE A 12 0.435 -0.826 11.402 1.00 45.25 C ATOM 184 O PHE A 12 0.168 -1.207 10.262 1.00 13.24 O ATOM 185 CB PHE A 12 -1.592 0.597 11.754 1.00 1.35 C ATOM 186 CG PHE A 12 -2.273 1.361 12.854 1.00 74.22 C ATOM 187 CD1 PHE A 12 -1.834 2.625 13.212 1.00 12.14 C ATOM 188 CD2 PHE A 12 -3.353 0.815 13.528 1.00 33.43 C ATOM 189 CE1 PHE A 12 -2.459 3.329 14.224 1.00 0.42 C ATOM 190 CE2 PHE A 12 -3.982 1.514 14.541 1.00 55.42 C ATOM 191 CZ PHE A 12 -3.535 2.774 14.888 1.00 32.03 C ATOM 0 H PHE A 12 0.012 2.027 10.464 1.00 14.24 H new ATOM 0 HA PHE A 12 0.177 0.598 12.975 1.00 3.34 H new ATOM 0 HB2 PHE A 12 -1.823 1.068 10.798 1.00 1.35 H new ATOM 0 HB3 PHE A 12 -1.999 -0.413 11.718 1.00 1.35 H new ATOM 0 HD1 PHE A 12 -0.994 3.065 12.695 1.00 12.14 H new ATOM 0 HD2 PHE A 12 -3.708 -0.169 13.259 1.00 33.43 H new ATOM 0 HE1 PHE A 12 -2.106 4.313 14.495 1.00 0.42 H new ATOM 0 HE2 PHE A 12 -4.821 1.076 15.060 1.00 55.42 H new ATOM 0 HZ PHE A 12 -4.026 3.324 15.677 1.00 32.03 H new ATOM 201 N ALA A 13 1.171 -1.538 12.249 1.00 72.43 N ATOM 202 CA ALA A 13 1.716 -2.839 11.880 1.00 34.21 C ATOM 203 C ALA A 13 0.656 -3.930 11.992 1.00 52.13 C ATOM 204 O ALA A 13 -0.058 -4.017 12.991 1.00 24.14 O ATOM 205 CB ALA A 13 2.916 -3.175 12.753 1.00 73.31 C ATOM 0 H ALA A 13 1.404 -1.236 13.195 1.00 72.43 H new ATOM 0 HA ALA A 13 2.039 -2.788 10.840 1.00 34.21 H new ATOM 0 HB1 ALA A 13 3.313 -4.149 12.467 1.00 73.31 H new ATOM 0 HB2 ALA A 13 3.687 -2.416 12.620 1.00 73.31 H new ATOM 0 HB3 ALA A 13 2.609 -3.201 13.799 1.00 73.31 H new ATOM 211 N LYS A 14 0.557 -4.760 10.959 1.00 30.21 N ATOM 212 CA LYS A 14 -0.415 -5.846 10.941 1.00 75.45 C ATOM 213 C LYS A 14 0.281 -7.201 11.019 1.00 33.42 C ATOM 214 O LYS A 14 0.877 -7.661 10.045 1.00 13.44 O ATOM 215 CB LYS A 14 -1.269 -5.773 9.672 1.00 11.45 C ATOM 216 CG LYS A 14 -2.313 -6.872 9.577 1.00 12.43 C ATOM 217 CD LYS A 14 -3.498 -6.596 10.488 1.00 4.14 C ATOM 218 CE LYS A 14 -4.696 -7.457 10.120 1.00 14.41 C ATOM 219 NZ LYS A 14 -4.335 -8.898 10.020 1.00 43.42 N ATOM 0 H LYS A 14 1.139 -4.701 10.123 1.00 30.21 H new ATOM 0 HA LYS A 14 -1.060 -5.737 11.813 1.00 75.45 H new ATOM 0 HB2 LYS A 14 -1.769 -4.805 9.636 1.00 11.45 H new ATOM 0 HB3 LYS A 14 -0.616 -5.828 8.801 1.00 11.45 H new ATOM 0 HG2 LYS A 14 -2.658 -6.960 8.547 1.00 12.43 H new ATOM 0 HG3 LYS A 14 -1.862 -7.828 9.845 1.00 12.43 H new ATOM 0 HD2 LYS A 14 -3.215 -6.788 11.523 1.00 4.14 H new ATOM 0 HD3 LYS A 14 -3.771 -5.543 10.422 1.00 4.14 H new ATOM 0 HE2 LYS A 14 -5.478 -7.330 10.869 1.00 14.41 H new ATOM 0 HE3 LYS A 14 -5.107 -7.119 9.169 1.00 14.41 H new ATOM 0 HZ1 LYS A 14 -5.191 -9.458 9.834 1.00 43.42 H new ATOM 0 HZ2 LYS A 14 -3.658 -9.033 9.243 1.00 43.42 H new ATOM 0 HZ3 LYS A 14 -3.904 -9.211 10.913 1.00 43.42 H new ATOM 233 N MET A 15 0.200 -7.837 12.184 1.00 54.53 N ATOM 234 CA MET A 15 0.820 -9.140 12.387 1.00 30.54 C ATOM 235 C MET A 15 -0.090 -10.259 11.891 1.00 72.25 C ATOM 236 O MET A 15 -1.299 -10.239 12.121 1.00 14.34 O ATOM 237 CB MET A 15 1.143 -9.350 13.868 1.00 11.31 C ATOM 238 CG MET A 15 2.552 -8.925 14.249 1.00 60.23 C ATOM 239 SD MET A 15 3.706 -10.310 14.293 1.00 4.40 S ATOM 240 CE MET A 15 3.129 -11.185 15.745 1.00 62.31 C ATOM 0 H MET A 15 -0.289 -7.470 13.001 1.00 54.53 H new ATOM 0 HA MET A 15 1.746 -9.167 11.812 1.00 30.54 H new ATOM 0 HB2 MET A 15 0.428 -8.790 14.470 1.00 11.31 H new ATOM 0 HB3 MET A 15 1.011 -10.404 14.114 1.00 11.31 H new ATOM 0 HG2 MET A 15 2.909 -8.182 13.536 1.00 60.23 H new ATOM 0 HG3 MET A 15 2.530 -8.444 15.227 1.00 60.23 H new ATOM 0 HE1 MET A 15 3.981 -11.611 16.276 1.00 62.31 H new ATOM 0 HE2 MET A 15 2.602 -10.493 16.401 1.00 62.31 H new ATOM 0 HE3 MET A 15 2.453 -11.985 15.443 1.00 62.31 H new ATOM 250 N LYS A 16 0.498 -11.235 11.207 1.00 41.34 N ATOM 251 CA LYS A 16 -0.259 -12.363 10.677 1.00 2.14 C ATOM 252 C LYS A 16 -1.063 -13.044 11.780 1.00 12.32 C ATOM 253 O LYS A 16 -0.500 -13.675 12.673 1.00 20.12 O ATOM 254 CB LYS A 16 0.685 -13.374 10.022 1.00 54.24 C ATOM 255 CG LYS A 16 0.956 -13.090 8.554 1.00 13.43 C ATOM 256 CD LYS A 16 1.805 -11.842 8.376 1.00 61.44 C ATOM 257 CE LYS A 16 2.532 -11.850 7.040 1.00 63.13 C ATOM 258 NZ LYS A 16 3.789 -11.052 7.088 1.00 71.44 N ATOM 0 H LYS A 16 1.498 -11.267 11.007 1.00 41.34 H new ATOM 0 HA LYS A 16 -0.953 -11.983 9.927 1.00 2.14 H new ATOM 0 HB2 LYS A 16 1.631 -13.379 10.563 1.00 54.24 H new ATOM 0 HB3 LYS A 16 0.258 -14.372 10.118 1.00 54.24 H new ATOM 0 HG2 LYS A 16 1.463 -13.944 8.105 1.00 13.43 H new ATOM 0 HG3 LYS A 16 0.011 -12.967 8.026 1.00 13.43 H new ATOM 0 HD2 LYS A 16 1.172 -10.957 8.442 1.00 61.44 H new ATOM 0 HD3 LYS A 16 2.531 -11.776 9.186 1.00 61.44 H new ATOM 0 HE2 LYS A 16 2.764 -12.877 6.759 1.00 63.13 H new ATOM 0 HE3 LYS A 16 1.876 -11.449 6.267 1.00 63.13 H new ATOM 0 HZ1 LYS A 16 4.255 -11.082 6.159 1.00 71.44 H new ATOM 0 HZ2 LYS A 16 3.565 -10.066 7.331 1.00 71.44 H new ATOM 0 HZ3 LYS A 16 4.426 -11.450 7.808 1.00 71.44 H new ATOM 272 N GLY A 17 -2.385 -12.912 11.710 1.00 5.35 N ATOM 273 CA GLY A 17 -3.245 -13.521 12.708 1.00 5.22 C ATOM 274 C GLY A 17 -3.620 -12.557 13.816 1.00 12.21 C ATOM 275 O GLY A 17 -4.107 -12.970 14.869 1.00 1.51 O ATOM 0 H GLY A 17 -2.875 -12.394 10.980 1.00 5.35 H new ATOM 0 HA2 GLY A 17 -4.152 -13.887 12.227 1.00 5.22 H new ATOM 0 HA3 GLY A 17 -2.741 -14.386 13.138 1.00 5.22 H new ATOM 279 N TYR A 18 -3.393 -11.270 13.580 1.00 1.51 N ATOM 280 CA TYR A 18 -3.707 -10.244 14.568 1.00 30.32 C ATOM 281 C TYR A 18 -4.148 -8.951 13.890 1.00 42.22 C ATOM 282 O TYR A 18 -3.779 -8.659 12.752 1.00 72.42 O ATOM 283 CB TYR A 18 -2.494 -9.977 15.461 1.00 63.45 C ATOM 284 CG TYR A 18 -1.818 -11.236 15.956 1.00 63.03 C ATOM 285 CD1 TYR A 18 -0.879 -11.897 15.174 1.00 63.35 C ATOM 286 CD2 TYR A 18 -2.118 -11.764 17.205 1.00 75.51 C ATOM 287 CE1 TYR A 18 -0.259 -13.048 15.621 1.00 1.14 C ATOM 288 CE2 TYR A 18 -1.503 -12.914 17.661 1.00 3.45 C ATOM 289 CZ TYR A 18 -0.574 -13.552 16.866 1.00 1.21 C ATOM 290 OH TYR A 18 0.041 -14.698 17.317 1.00 53.43 O ATOM 0 H TYR A 18 -2.993 -10.912 12.713 1.00 1.51 H new ATOM 0 HA TYR A 18 -4.529 -10.609 15.183 1.00 30.32 H new ATOM 0 HB2 TYR A 18 -1.770 -9.380 14.907 1.00 63.45 H new ATOM 0 HB3 TYR A 18 -2.808 -9.382 16.319 1.00 63.45 H new ATOM 0 HD1 TYR A 18 -0.629 -11.504 14.199 1.00 63.35 H new ATOM 0 HD2 TYR A 18 -2.845 -11.267 17.831 1.00 75.51 H new ATOM 0 HE1 TYR A 18 0.468 -13.550 15.000 1.00 1.14 H new ATOM 0 HE2 TYR A 18 -1.748 -13.311 18.635 1.00 3.45 H new ATOM 0 HH TYR A 18 -0.292 -14.917 18.212 1.00 53.43 H new ATOM 300 N PRO A 19 -4.956 -8.155 14.605 1.00 13.31 N ATOM 301 CA PRO A 19 -5.465 -6.878 14.094 1.00 21.31 C ATOM 302 C PRO A 19 -4.370 -5.824 13.975 1.00 2.22 C ATOM 303 O PRO A 19 -3.235 -6.043 14.400 1.00 43.53 O ATOM 304 CB PRO A 19 -6.497 -6.461 15.145 1.00 61.41 C ATOM 305 CG PRO A 19 -6.057 -7.139 16.397 1.00 55.31 C ATOM 306 CD PRO A 19 -5.436 -8.439 15.968 1.00 22.00 C ATOM 0 HA PRO A 19 -5.876 -6.976 13.089 1.00 21.31 H new ATOM 0 HB2 PRO A 19 -6.521 -5.378 15.268 1.00 61.41 H new ATOM 0 HB3 PRO A 19 -7.502 -6.772 14.859 1.00 61.41 H new ATOM 0 HG2 PRO A 19 -5.340 -6.525 16.942 1.00 55.31 H new ATOM 0 HG3 PRO A 19 -6.901 -7.311 17.065 1.00 55.31 H new ATOM 0 HD2 PRO A 19 -4.620 -8.732 16.629 1.00 22.00 H new ATOM 0 HD3 PRO A 19 -6.161 -9.253 15.977 1.00 22.00 H new ATOM 314 N HIS A 20 -4.717 -4.679 13.396 1.00 73.14 N ATOM 315 CA HIS A 20 -3.763 -3.590 13.222 1.00 11.41 C ATOM 316 C HIS A 20 -3.362 -2.999 14.570 1.00 13.53 C ATOM 317 O HIS A 20 -4.148 -3.001 15.518 1.00 22.51 O ATOM 318 CB HIS A 20 -4.358 -2.499 12.331 1.00 75.22 C ATOM 319 CG HIS A 20 -4.920 -3.019 11.043 1.00 13.42 C ATOM 320 ND1 HIS A 20 -6.193 -3.538 10.933 1.00 41.04 N ATOM 321 CD2 HIS A 20 -4.376 -3.095 9.807 1.00 44.15 C ATOM 322 CE1 HIS A 20 -6.406 -3.913 9.684 1.00 61.01 C ATOM 323 NE2 HIS A 20 -5.319 -3.654 8.980 1.00 63.51 N ATOM 0 H HIS A 20 -5.652 -4.481 13.039 1.00 73.14 H new ATOM 0 HA HIS A 20 -2.872 -3.994 12.742 1.00 11.41 H new ATOM 0 HB2 HIS A 20 -5.146 -1.983 12.880 1.00 75.22 H new ATOM 0 HB3 HIS A 20 -3.587 -1.761 12.110 1.00 75.22 H new ATOM 0 HD2 HIS A 20 -3.384 -2.775 9.523 1.00 44.15 H new ATOM 0 HE1 HIS A 20 -7.315 -4.356 9.304 1.00 61.01 H new ATOM 0 HE2 HIS A 20 -5.199 -3.839 7.984 1.00 63.51 H new ATOM 331 N TRP A 21 -2.136 -2.494 14.648 1.00 14.23 N ATOM 332 CA TRP A 21 -1.631 -1.900 15.881 1.00 35.11 C ATOM 333 C TRP A 21 -0.657 -0.767 15.580 1.00 1.13 C ATOM 334 O TRP A 21 0.186 -0.862 14.688 1.00 4.12 O ATOM 335 CB TRP A 21 -0.946 -2.964 16.740 1.00 14.14 C ATOM 336 CG TRP A 21 -0.369 -2.419 18.012 1.00 62.24 C ATOM 337 CD1 TRP A 21 0.835 -1.791 18.162 1.00 34.20 C ATOM 338 CD2 TRP A 21 -0.969 -2.456 19.311 1.00 75.23 C ATOM 339 NE1 TRP A 21 1.018 -1.436 19.477 1.00 42.55 N ATOM 340 CE2 TRP A 21 -0.075 -1.831 20.201 1.00 24.44 C ATOM 341 CE3 TRP A 21 -2.177 -2.954 19.808 1.00 62.10 C ATOM 342 CZ2 TRP A 21 -0.351 -1.694 21.559 1.00 25.11 C ATOM 343 CZ3 TRP A 21 -2.449 -2.817 21.156 1.00 60.32 C ATOM 344 CH2 TRP A 21 -1.540 -2.191 22.019 1.00 41.03 C ATOM 0 H TRP A 21 -1.473 -2.484 13.873 1.00 14.23 H new ATOM 0 HA TRP A 21 -2.478 -1.489 16.431 1.00 35.11 H new ATOM 0 HB2 TRP A 21 -1.667 -3.745 16.982 1.00 14.14 H new ATOM 0 HB3 TRP A 21 -0.151 -3.432 16.160 1.00 14.14 H new ATOM 0 HD1 TRP A 21 1.539 -1.602 17.365 1.00 34.20 H new ATOM 0 HE1 TRP A 21 1.836 -0.956 19.853 1.00 42.55 H new ATOM 0 HE3 TRP A 21 -2.885 -3.437 19.151 1.00 62.10 H new ATOM 0 HZ2 TRP A 21 0.349 -1.212 22.226 1.00 25.11 H new ATOM 0 HZ3 TRP A 21 -3.379 -3.199 21.551 1.00 60.32 H new ATOM 0 HH2 TRP A 21 -1.782 -2.099 23.067 1.00 41.03 H new ATOM 355 N PRO A 22 -0.772 0.332 16.341 1.00 53.04 N ATOM 356 CA PRO A 22 0.092 1.504 16.174 1.00 52.42 C ATOM 357 C PRO A 22 1.527 1.234 16.611 1.00 23.40 C ATOM 358 O PRO A 22 1.783 0.915 17.772 1.00 72.32 O ATOM 359 CB PRO A 22 -0.555 2.554 17.082 1.00 62.43 C ATOM 360 CG PRO A 22 -1.284 1.764 18.113 1.00 11.23 C ATOM 361 CD PRO A 22 -1.755 0.514 17.422 1.00 2.42 C ATOM 0 HA PRO A 22 0.166 1.810 15.130 1.00 52.42 H new ATOM 0 HB2 PRO A 22 0.195 3.201 17.536 1.00 62.43 H new ATOM 0 HB3 PRO A 22 -1.234 3.197 16.522 1.00 62.43 H new ATOM 0 HG2 PRO A 22 -0.632 1.523 18.953 1.00 11.23 H new ATOM 0 HG3 PRO A 22 -2.126 2.329 18.514 1.00 11.23 H new ATOM 0 HD2 PRO A 22 -1.769 -0.339 18.100 1.00 2.42 H new ATOM 0 HD3 PRO A 22 -2.766 0.627 17.031 1.00 2.42 H new ATOM 369 N ALA A 23 2.461 1.363 15.674 1.00 52.20 N ATOM 370 CA ALA A 23 3.871 1.135 15.964 1.00 71.32 C ATOM 371 C ALA A 23 4.754 2.113 15.197 1.00 64.43 C ATOM 372 O ALA A 23 4.257 2.999 14.502 1.00 65.03 O ATOM 373 CB ALA A 23 4.253 -0.299 15.629 1.00 70.43 C ATOM 0 H ALA A 23 2.266 1.624 14.707 1.00 52.20 H new ATOM 0 HA ALA A 23 4.029 1.302 17.029 1.00 71.32 H new ATOM 0 HB1 ALA A 23 5.309 -0.455 15.850 1.00 70.43 H new ATOM 0 HB2 ALA A 23 3.652 -0.985 16.226 1.00 70.43 H new ATOM 0 HB3 ALA A 23 4.073 -0.486 14.570 1.00 70.43 H new ATOM 379 N ARG A 24 6.066 1.946 15.328 1.00 24.21 N ATOM 380 CA ARG A 24 7.019 2.815 14.648 1.00 11.55 C ATOM 381 C ARG A 24 7.993 2.000 13.803 1.00 32.33 C ATOM 382 O ARG A 24 8.069 0.778 13.930 1.00 34.54 O ATOM 383 CB ARG A 24 7.791 3.656 15.667 1.00 42.11 C ATOM 384 CG ARG A 24 8.634 2.830 16.625 1.00 70.23 C ATOM 385 CD ARG A 24 10.034 2.598 16.077 1.00 35.20 C ATOM 386 NE ARG A 24 10.984 2.256 17.132 1.00 62.34 N ATOM 387 CZ ARG A 24 12.300 2.387 17.006 1.00 40.12 C ATOM 388 NH1 ARG A 24 12.818 2.851 15.877 1.00 3.11 N ATOM 389 NH2 ARG A 24 13.100 2.055 18.011 1.00 63.44 N ATOM 0 H ARG A 24 6.493 1.217 15.899 1.00 24.21 H new ATOM 0 HA ARG A 24 6.460 3.478 13.988 1.00 11.55 H new ATOM 0 HB2 ARG A 24 8.439 4.352 15.134 1.00 42.11 H new ATOM 0 HB3 ARG A 24 7.084 4.254 16.242 1.00 42.11 H new ATOM 0 HG2 ARG A 24 8.698 3.339 17.587 1.00 70.23 H new ATOM 0 HG3 ARG A 24 8.149 1.871 16.804 1.00 70.23 H new ATOM 0 HD2 ARG A 24 10.006 1.796 15.340 1.00 35.20 H new ATOM 0 HD3 ARG A 24 10.374 3.495 15.559 1.00 35.20 H new ATOM 0 HE ARG A 24 10.617 1.897 18.014 1.00 62.34 H new ATOM 0 HH11 ARG A 24 12.206 3.108 15.103 1.00 3.11 H new ATOM 0 HH12 ARG A 24 13.829 2.951 15.783 1.00 3.11 H new ATOM 0 HH21 ARG A 24 12.705 1.699 18.881 1.00 63.44 H new ATOM 0 HH22 ARG A 24 14.110 2.156 17.913 1.00 63.44 H new ATOM 403 N VAL A 25 8.736 2.684 12.940 1.00 41.43 N ATOM 404 CA VAL A 25 9.706 2.024 12.074 1.00 74.02 C ATOM 405 C VAL A 25 11.126 2.213 12.594 1.00 11.52 C ATOM 406 O VAL A 25 11.489 3.294 13.059 1.00 14.22 O ATOM 407 CB VAL A 25 9.624 2.557 10.631 1.00 71.31 C ATOM 408 CG1 VAL A 25 10.663 1.878 9.751 1.00 11.23 C ATOM 409 CG2 VAL A 25 8.225 2.357 10.068 1.00 13.32 C ATOM 0 H VAL A 25 8.685 3.696 12.821 1.00 41.43 H new ATOM 0 HA VAL A 25 9.460 0.962 12.076 1.00 74.02 H new ATOM 0 HB VAL A 25 9.836 3.626 10.645 1.00 71.31 H new ATOM 0 HG11 VAL A 25 10.590 2.267 8.735 1.00 11.23 H new ATOM 0 HG12 VAL A 25 11.660 2.077 10.145 1.00 11.23 H new ATOM 0 HG13 VAL A 25 10.485 0.803 9.741 1.00 11.23 H new ATOM 0 HG21 VAL A 25 8.185 2.739 9.048 1.00 13.32 H new ATOM 0 HG22 VAL A 25 7.982 1.295 10.067 1.00 13.32 H new ATOM 0 HG23 VAL A 25 7.504 2.894 10.685 1.00 13.32 H new ATOM 419 N ASP A 26 11.926 1.156 12.512 1.00 10.22 N ATOM 420 CA ASP A 26 13.309 1.206 12.973 1.00 35.15 C ATOM 421 C ASP A 26 14.273 1.278 11.794 1.00 72.14 C ATOM 422 O ASP A 26 13.853 1.282 10.637 1.00 62.21 O ATOM 423 CB ASP A 26 13.626 -0.018 13.834 1.00 71.44 C ATOM 424 CG ASP A 26 14.475 0.327 15.041 1.00 63.20 C ATOM 425 OD1 ASP A 26 15.141 1.383 15.016 1.00 10.41 O ATOM 426 OD2 ASP A 26 14.474 -0.459 16.011 1.00 32.12 O ATOM 0 H ASP A 26 11.641 0.254 12.131 1.00 10.22 H new ATOM 0 HA ASP A 26 13.433 2.106 13.575 1.00 35.15 H new ATOM 0 HB2 ASP A 26 12.694 -0.475 14.168 1.00 71.44 H new ATOM 0 HB3 ASP A 26 14.146 -0.760 13.228 1.00 71.44 H new ATOM 431 N GLU A 27 15.566 1.336 12.095 1.00 22.25 N ATOM 432 CA GLU A 27 16.589 1.410 11.059 1.00 22.20 C ATOM 433 C GLU A 27 17.204 0.037 10.803 1.00 62.14 C ATOM 434 O GLU A 27 16.935 -0.922 11.527 1.00 54.44 O ATOM 435 CB GLU A 27 17.682 2.403 11.460 1.00 53.34 C ATOM 436 CG GLU A 27 17.398 3.830 11.020 1.00 32.14 C ATOM 437 CD GLU A 27 18.633 4.709 11.059 1.00 13.02 C ATOM 438 OE1 GLU A 27 19.510 4.537 10.188 1.00 65.54 O ATOM 439 OE2 GLU A 27 18.722 5.569 11.960 1.00 32.44 O ATOM 0 H GLU A 27 15.930 1.333 13.048 1.00 22.25 H new ATOM 0 HA GLU A 27 16.115 1.754 10.140 1.00 22.20 H new ATOM 0 HB2 GLU A 27 17.800 2.382 12.543 1.00 53.34 H new ATOM 0 HB3 GLU A 27 18.630 2.081 11.029 1.00 53.34 H new ATOM 0 HG2 GLU A 27 16.995 3.821 10.007 1.00 32.14 H new ATOM 0 HG3 GLU A 27 16.631 4.259 11.664 1.00 32.14 H new ATOM 585 N ASN A 38 12.799 -9.611 3.192 1.00 53.32 N ATOM 586 CA ASN A 38 11.817 -8.821 2.457 1.00 10.13 C ATOM 587 C ASN A 38 10.877 -8.094 3.415 1.00 61.44 C ATOM 588 O ASN A 38 9.735 -7.789 3.069 1.00 23.35 O ATOM 589 CB ASN A 38 11.011 -9.718 1.516 1.00 32.31 C ATOM 590 CG ASN A 38 11.766 -10.046 0.242 1.00 35.23 C ATOM 591 OD1 ASN A 38 11.982 -9.180 -0.605 1.00 15.30 O ATOM 592 ND2 ASN A 38 12.170 -11.303 0.102 1.00 64.13 N ATOM 0 HA ASN A 38 12.353 -8.077 1.868 1.00 10.13 H new ATOM 0 HB2 ASN A 38 10.755 -10.643 2.032 1.00 32.31 H new ATOM 0 HB3 ASN A 38 10.073 -9.224 1.262 1.00 32.31 H new ATOM 0 HD21 ASN A 38 12.682 -11.584 -0.734 1.00 64.13 H new ATOM 0 HD22 ASN A 38 11.968 -11.988 0.831 1.00 64.13 H new ATOM 599 N LYS A 39 11.365 -7.819 4.619 1.00 24.33 N ATOM 600 CA LYS A 39 10.571 -7.127 5.627 1.00 4.14 C ATOM 601 C LYS A 39 11.400 -6.058 6.333 1.00 61.30 C ATOM 602 O LYS A 39 12.624 -6.019 6.200 1.00 21.13 O ATOM 603 CB LYS A 39 10.028 -8.125 6.652 1.00 32.12 C ATOM 604 CG LYS A 39 9.127 -9.188 6.047 1.00 22.13 C ATOM 605 CD LYS A 39 9.222 -10.499 6.810 1.00 14.10 C ATOM 606 CE LYS A 39 7.955 -11.326 6.655 1.00 31.41 C ATOM 607 NZ LYS A 39 7.979 -12.150 5.415 1.00 72.40 N ATOM 0 H LYS A 39 12.308 -8.065 4.921 1.00 24.33 H new ATOM 0 HA LYS A 39 9.735 -6.641 5.124 1.00 4.14 H new ATOM 0 HB2 LYS A 39 10.865 -8.612 7.152 1.00 32.12 H new ATOM 0 HB3 LYS A 39 9.473 -7.582 7.417 1.00 32.12 H new ATOM 0 HG2 LYS A 39 8.095 -8.837 6.051 1.00 22.13 H new ATOM 0 HG3 LYS A 39 9.404 -9.351 5.005 1.00 22.13 H new ATOM 0 HD2 LYS A 39 10.077 -11.070 6.449 1.00 14.10 H new ATOM 0 HD3 LYS A 39 9.398 -10.295 7.866 1.00 14.10 H new ATOM 0 HE2 LYS A 39 7.838 -11.977 7.521 1.00 31.41 H new ATOM 0 HE3 LYS A 39 7.089 -10.664 6.634 1.00 31.41 H new ATOM 0 HZ1 LYS A 39 7.098 -12.699 5.346 1.00 72.40 H new ATOM 0 HZ2 LYS A 39 8.065 -11.528 4.586 1.00 72.40 H new ATOM 0 HZ3 LYS A 39 8.790 -12.800 5.446 1.00 72.40 H new ATOM 621 N LEU A 40 10.727 -5.194 7.084 1.00 74.00 N ATOM 622 CA LEU A 40 11.401 -4.125 7.813 1.00 62.35 C ATOM 623 C LEU A 40 11.151 -4.246 9.312 1.00 32.23 C ATOM 624 O LEU A 40 10.197 -4.885 9.758 1.00 41.32 O ATOM 625 CB LEU A 40 10.924 -2.761 7.313 1.00 42.54 C ATOM 626 CG LEU A 40 9.464 -2.682 6.866 1.00 31.21 C ATOM 627 CD1 LEU A 40 8.910 -1.285 7.096 1.00 15.14 C ATOM 628 CD2 LEU A 40 9.332 -3.076 5.402 1.00 10.31 C ATOM 0 H LEU A 40 9.714 -5.212 7.204 1.00 74.00 H new ATOM 0 HA LEU A 40 12.472 -4.216 7.634 1.00 62.35 H new ATOM 0 HB2 LEU A 40 11.080 -2.031 8.107 1.00 42.54 H new ATOM 0 HB3 LEU A 40 11.556 -2.462 6.477 1.00 42.54 H new ATOM 0 HG LEU A 40 8.883 -3.384 7.464 1.00 31.21 H new ATOM 0 HD11 LEU A 40 7.870 -1.248 6.772 1.00 15.14 H new ATOM 0 HD12 LEU A 40 8.968 -1.040 8.157 1.00 15.14 H new ATOM 0 HD13 LEU A 40 9.494 -0.563 6.525 1.00 15.14 H new ATOM 0 HD21 LEU A 40 8.286 -3.014 5.101 1.00 10.31 H new ATOM 0 HD22 LEU A 40 9.927 -2.400 4.788 1.00 10.31 H new ATOM 0 HD23 LEU A 40 9.688 -4.097 5.266 1.00 10.31 H new ATOM 640 N PRO A 41 12.026 -3.617 10.111 1.00 34.11 N ATOM 641 CA PRO A 41 11.919 -3.637 11.573 1.00 33.20 C ATOM 642 C PRO A 41 10.727 -2.830 12.078 1.00 25.53 C ATOM 643 O PRO A 41 10.619 -1.633 11.812 1.00 70.22 O ATOM 644 CB PRO A 41 13.231 -2.998 12.033 1.00 23.14 C ATOM 645 CG PRO A 41 13.653 -2.136 10.894 1.00 13.31 C ATOM 646 CD PRO A 41 13.186 -2.837 9.649 1.00 70.42 C ATOM 0 HA PRO A 41 11.763 -4.645 11.957 1.00 33.20 H new ATOM 0 HB2 PRO A 41 13.089 -2.412 12.941 1.00 23.14 H new ATOM 0 HB3 PRO A 41 13.983 -3.755 12.256 1.00 23.14 H new ATOM 0 HG2 PRO A 41 13.211 -1.143 10.972 1.00 13.31 H new ATOM 0 HG3 PRO A 41 14.735 -2.004 10.885 1.00 13.31 H new ATOM 0 HD2 PRO A 41 12.909 -2.128 8.869 1.00 70.42 H new ATOM 0 HD3 PRO A 41 13.963 -3.479 9.234 1.00 70.42 H new ATOM 654 N ILE A 42 9.837 -3.493 12.809 1.00 60.24 N ATOM 655 CA ILE A 42 8.655 -2.836 13.352 1.00 33.41 C ATOM 656 C ILE A 42 8.614 -2.948 14.872 1.00 11.13 C ATOM 657 O ILE A 42 8.447 -4.037 15.421 1.00 31.24 O ATOM 658 CB ILE A 42 7.361 -3.435 12.770 1.00 54.43 C ATOM 659 CG1 ILE A 42 7.464 -3.544 11.247 1.00 33.41 C ATOM 660 CG2 ILE A 42 6.161 -2.587 13.165 1.00 34.11 C ATOM 661 CD1 ILE A 42 7.732 -2.222 10.563 1.00 74.23 C ATOM 0 H ILE A 42 9.912 -4.484 13.039 1.00 60.24 H new ATOM 0 HA ILE A 42 8.719 -1.785 13.069 1.00 33.41 H new ATOM 0 HB ILE A 42 7.225 -4.436 13.179 1.00 54.43 H new ATOM 0 HG12 ILE A 42 8.261 -4.243 10.994 1.00 33.41 H new ATOM 0 HG13 ILE A 42 6.537 -3.964 10.857 1.00 33.41 H new ATOM 0 HG21 ILE A 42 5.254 -3.023 12.746 1.00 34.11 H new ATOM 0 HG22 ILE A 42 6.080 -2.555 14.252 1.00 34.11 H new ATOM 0 HG23 ILE A 42 6.288 -1.575 12.780 1.00 34.11 H new ATOM 0 HD11 ILE A 42 7.793 -2.375 9.486 1.00 74.23 H new ATOM 0 HD12 ILE A 42 6.923 -1.527 10.786 1.00 74.23 H new ATOM 0 HD13 ILE A 42 8.674 -1.810 10.924 1.00 74.23 H new ATOM 673 N PHE A 43 8.766 -1.814 15.548 1.00 52.43 N ATOM 674 CA PHE A 43 8.745 -1.783 17.005 1.00 25.15 C ATOM 675 C PHE A 43 7.327 -1.570 17.525 1.00 12.32 C ATOM 676 O PHE A 43 6.776 -0.473 17.426 1.00 34.31 O ATOM 677 CB PHE A 43 9.664 -0.675 17.526 1.00 35.44 C ATOM 678 CG PHE A 43 9.843 -0.697 19.017 1.00 21.55 C ATOM 679 CD1 PHE A 43 10.317 -1.833 19.655 1.00 42.23 C ATOM 680 CD2 PHE A 43 9.538 0.417 19.782 1.00 42.22 C ATOM 681 CE1 PHE A 43 10.482 -1.856 21.027 1.00 45.23 C ATOM 682 CE2 PHE A 43 9.702 0.400 21.154 1.00 11.22 C ATOM 683 CZ PHE A 43 10.176 -0.738 21.777 1.00 13.42 C ATOM 0 H PHE A 43 8.905 -0.904 15.109 1.00 52.43 H new ATOM 0 HA PHE A 43 9.105 -2.745 17.369 1.00 25.15 H new ATOM 0 HB2 PHE A 43 10.640 -0.769 17.049 1.00 35.44 H new ATOM 0 HB3 PHE A 43 9.257 0.292 17.231 1.00 35.44 H new ATOM 0 HD1 PHE A 43 10.560 -2.710 19.073 1.00 42.23 H new ATOM 0 HD2 PHE A 43 9.167 1.310 19.300 1.00 42.22 H new ATOM 0 HE1 PHE A 43 10.850 -2.748 21.512 1.00 45.23 H new ATOM 0 HE2 PHE A 43 9.460 1.275 21.738 1.00 11.22 H new ATOM 0 HZ PHE A 43 10.307 -0.753 22.849 1.00 13.42 H new ATOM 693 N PHE A 44 6.741 -2.626 18.079 1.00 31.12 N ATOM 694 CA PHE A 44 5.386 -2.556 18.613 1.00 31.25 C ATOM 695 C PHE A 44 5.358 -1.774 19.923 1.00 35.14 C ATOM 696 O PHE A 44 5.923 -2.204 20.929 1.00 64.33 O ATOM 697 CB PHE A 44 4.829 -3.964 18.835 1.00 71.03 C ATOM 698 CG PHE A 44 4.254 -4.583 17.593 1.00 70.21 C ATOM 699 CD1 PHE A 44 3.316 -3.902 16.834 1.00 71.21 C ATOM 700 CD2 PHE A 44 4.652 -5.846 17.184 1.00 11.14 C ATOM 701 CE1 PHE A 44 2.785 -4.470 15.691 1.00 32.13 C ATOM 702 CE2 PHE A 44 4.125 -6.419 16.042 1.00 15.23 C ATOM 703 CZ PHE A 44 3.190 -5.729 15.294 1.00 25.33 C ATOM 0 H PHE A 44 7.183 -3.541 18.170 1.00 31.12 H new ATOM 0 HA PHE A 44 4.762 -2.036 17.886 1.00 31.25 H new ATOM 0 HB2 PHE A 44 5.624 -4.605 19.216 1.00 71.03 H new ATOM 0 HB3 PHE A 44 4.056 -3.924 19.603 1.00 71.03 H new ATOM 0 HD1 PHE A 44 2.996 -2.916 17.139 1.00 71.21 H new ATOM 0 HD2 PHE A 44 5.383 -6.389 17.765 1.00 11.14 H new ATOM 0 HE1 PHE A 44 2.054 -3.929 15.109 1.00 32.13 H new ATOM 0 HE2 PHE A 44 4.443 -7.404 15.735 1.00 15.23 H new ATOM 0 HZ PHE A 44 2.777 -6.174 14.401 1.00 25.33 H new ATOM 713 N PHE A 45 4.695 -0.622 19.904 1.00 70.33 N ATOM 714 CA PHE A 45 4.593 0.222 21.089 1.00 64.45 C ATOM 715 C PHE A 45 3.533 -0.312 22.047 1.00 23.33 C ATOM 716 O PHE A 45 2.522 -0.870 21.624 1.00 60.43 O ATOM 717 CB PHE A 45 4.258 1.660 20.689 1.00 72.01 C ATOM 718 CG PHE A 45 5.470 2.522 20.480 1.00 53.34 C ATOM 719 CD1 PHE A 45 6.451 2.609 21.454 1.00 64.43 C ATOM 720 CD2 PHE A 45 5.628 3.246 19.309 1.00 55.02 C ATOM 721 CE1 PHE A 45 7.567 3.402 21.264 1.00 70.01 C ATOM 722 CE2 PHE A 45 6.741 4.041 19.113 1.00 24.21 C ATOM 723 CZ PHE A 45 7.713 4.118 20.092 1.00 72.13 C ATOM 0 H PHE A 45 4.220 -0.252 19.081 1.00 70.33 H new ATOM 0 HA PHE A 45 5.557 0.209 21.598 1.00 64.45 H new ATOM 0 HB2 PHE A 45 3.670 1.646 19.772 1.00 72.01 H new ATOM 0 HB3 PHE A 45 3.633 2.107 21.462 1.00 72.01 H new ATOM 0 HD1 PHE A 45 6.343 2.051 22.372 1.00 64.43 H new ATOM 0 HD2 PHE A 45 4.872 3.188 18.540 1.00 55.02 H new ATOM 0 HE1 PHE A 45 8.324 3.462 22.032 1.00 70.01 H new ATOM 0 HE2 PHE A 45 6.851 4.601 18.196 1.00 24.21 H new ATOM 0 HZ PHE A 45 8.585 4.737 19.941 1.00 72.13 H new ATOM 733 N GLY A 46 3.774 -0.137 23.343 1.00 15.13 N ATOM 734 CA GLY A 46 2.832 -0.607 24.343 1.00 51.34 C ATOM 735 C GLY A 46 3.148 -2.009 24.823 1.00 74.44 C ATOM 736 O GLY A 46 2.983 -2.322 26.002 1.00 25.44 O ATOM 0 H GLY A 46 4.604 0.322 23.718 1.00 15.13 H new ATOM 0 HA2 GLY A 46 2.839 0.075 25.193 1.00 51.34 H new ATOM 0 HA3 GLY A 46 1.825 -0.587 23.927 1.00 51.34 H new ATOM 740 N THR A 47 3.601 -2.859 23.906 1.00 1.01 N ATOM 741 CA THR A 47 3.938 -4.237 24.241 1.00 12.21 C ATOM 742 C THR A 47 5.444 -4.463 24.187 1.00 23.33 C ATOM 743 O THR A 47 5.934 -5.535 24.545 1.00 62.24 O ATOM 744 CB THR A 47 3.246 -5.231 23.290 1.00 63.43 C ATOM 745 OG1 THR A 47 3.721 -5.040 21.952 1.00 33.52 O ATOM 746 CG2 THR A 47 1.736 -5.055 23.327 1.00 33.23 C ATOM 0 H THR A 47 3.743 -2.617 22.925 1.00 1.01 H new ATOM 0 HA THR A 47 3.584 -4.411 25.257 1.00 12.21 H new ATOM 0 HB THR A 47 3.486 -6.242 23.620 1.00 63.43 H new ATOM 0 HG1 THR A 47 3.080 -5.426 21.319 1.00 33.52 H new ATOM 0 HG21 THR A 47 1.270 -5.768 22.647 1.00 33.23 H new ATOM 0 HG22 THR A 47 1.374 -5.230 24.340 1.00 33.23 H new ATOM 0 HG23 THR A 47 1.480 -4.041 23.020 1.00 33.23 H new ATOM 754 N HIS A 48 6.175 -3.447 23.739 1.00 23.53 N ATOM 755 CA HIS A 48 7.628 -3.536 23.640 1.00 12.02 C ATOM 756 C HIS A 48 8.043 -4.748 22.811 1.00 10.25 C ATOM 757 O HIS A 48 9.076 -5.364 23.072 1.00 74.43 O ATOM 758 CB HIS A 48 8.251 -3.619 25.034 1.00 41.11 C ATOM 759 CG HIS A 48 8.282 -2.307 25.755 1.00 3.41 C ATOM 760 ND1 HIS A 48 8.140 -1.093 25.116 1.00 71.00 N ATOM 761 CD2 HIS A 48 8.439 -2.022 27.069 1.00 2.01 C ATOM 762 CE1 HIS A 48 8.210 -0.119 26.005 1.00 14.34 C ATOM 763 NE2 HIS A 48 8.390 -0.656 27.198 1.00 5.34 N ATOM 0 H HIS A 48 5.786 -2.553 23.439 1.00 23.53 H new ATOM 0 HA HIS A 48 7.989 -2.636 23.142 1.00 12.02 H new ATOM 0 HB2 HIS A 48 7.691 -4.339 25.631 1.00 41.11 H new ATOM 0 HB3 HIS A 48 9.268 -4.000 24.946 1.00 41.11 H new ATOM 0 HD2 HIS A 48 8.577 -2.736 27.867 1.00 2.01 H new ATOM 0 HE1 HIS A 48 8.133 0.937 25.793 1.00 14.34 H new ATOM 0 HE2 HIS A 48 8.478 -0.140 28.073 1.00 5.34 H new ATOM 771 N GLU A 49 7.231 -5.083 21.814 1.00 73.11 N ATOM 772 CA GLU A 49 7.514 -6.222 20.949 1.00 61.31 C ATOM 773 C GLU A 49 8.128 -5.764 19.629 1.00 13.11 C ATOM 774 O GLU A 49 8.210 -4.567 19.351 1.00 14.00 O ATOM 775 CB GLU A 49 6.235 -7.018 20.680 1.00 12.43 C ATOM 776 CG GLU A 49 5.487 -7.413 21.943 1.00 45.02 C ATOM 777 CD GLU A 49 4.119 -7.998 21.652 1.00 50.33 C ATOM 778 OE1 GLU A 49 3.602 -7.774 20.537 1.00 4.13 O ATOM 779 OE2 GLU A 49 3.565 -8.680 22.539 1.00 11.44 O ATOM 0 H GLU A 49 6.372 -4.582 21.585 1.00 73.11 H new ATOM 0 HA GLU A 49 8.232 -6.864 21.461 1.00 61.31 H new ATOM 0 HB2 GLU A 49 5.575 -6.425 20.047 1.00 12.43 H new ATOM 0 HB3 GLU A 49 6.488 -7.919 20.121 1.00 12.43 H new ATOM 0 HG2 GLU A 49 6.079 -8.141 22.498 1.00 45.02 H new ATOM 0 HG3 GLU A 49 5.375 -6.538 22.583 1.00 45.02 H new ATOM 786 N THR A 50 8.559 -6.725 18.818 1.00 31.22 N ATOM 787 CA THR A 50 9.167 -6.422 17.529 1.00 54.13 C ATOM 788 C THR A 50 8.857 -7.509 16.506 1.00 51.33 C ATOM 789 O THR A 50 9.134 -8.686 16.734 1.00 54.13 O ATOM 790 CB THR A 50 10.694 -6.267 17.650 1.00 24.52 C ATOM 791 OG1 THR A 50 11.291 -6.263 16.349 1.00 43.34 O ATOM 792 CG2 THR A 50 11.288 -7.395 18.482 1.00 52.34 C ATOM 0 H THR A 50 8.498 -7.721 19.032 1.00 31.22 H new ATOM 0 HA THR A 50 8.740 -5.477 17.192 1.00 54.13 H new ATOM 0 HB THR A 50 10.902 -5.320 18.148 1.00 24.52 H new ATOM 0 HG1 THR A 50 12.262 -6.162 16.435 1.00 43.34 H new ATOM 0 HG21 THR A 50 12.368 -7.265 18.554 1.00 52.34 H new ATOM 0 HG22 THR A 50 10.853 -7.378 19.481 1.00 52.34 H new ATOM 0 HG23 THR A 50 11.069 -8.351 18.007 1.00 52.34 H new ATOM 800 N ALA A 51 8.282 -7.106 15.377 1.00 33.13 N ATOM 801 CA ALA A 51 7.937 -8.046 14.318 1.00 61.02 C ATOM 802 C ALA A 51 8.423 -7.547 12.961 1.00 11.44 C ATOM 803 O ALA A 51 8.382 -6.349 12.679 1.00 70.05 O ATOM 804 CB ALA A 51 6.434 -8.281 14.289 1.00 41.53 C ATOM 0 H ALA A 51 8.046 -6.135 15.173 1.00 33.13 H new ATOM 0 HA ALA A 51 8.437 -8.991 14.529 1.00 61.02 H new ATOM 0 HB1 ALA A 51 6.191 -8.985 13.493 1.00 41.53 H new ATOM 0 HB2 ALA A 51 6.111 -8.690 15.246 1.00 41.53 H new ATOM 0 HB3 ALA A 51 5.922 -7.336 14.107 1.00 41.53 H new ATOM 810 N PHE A 52 8.883 -8.472 12.126 1.00 43.43 N ATOM 811 CA PHE A 52 9.379 -8.125 10.799 1.00 51.41 C ATOM 812 C PHE A 52 8.298 -8.334 9.743 1.00 71.35 C ATOM 813 O PHE A 52 7.920 -9.467 9.441 1.00 62.24 O ATOM 814 CB PHE A 52 10.612 -8.963 10.456 1.00 21.24 C ATOM 815 CG PHE A 52 11.877 -8.452 11.084 1.00 65.31 C ATOM 816 CD1 PHE A 52 12.326 -7.168 10.823 1.00 44.12 C ATOM 817 CD2 PHE A 52 12.618 -9.257 11.935 1.00 63.04 C ATOM 818 CE1 PHE A 52 13.490 -6.695 11.399 1.00 43.51 C ATOM 819 CE2 PHE A 52 13.783 -8.789 12.514 1.00 74.02 C ATOM 820 CZ PHE A 52 14.220 -7.507 12.245 1.00 52.32 C ATOM 0 H PHE A 52 8.923 -9.468 12.344 1.00 43.43 H new ATOM 0 HA PHE A 52 9.656 -7.071 10.807 1.00 51.41 H new ATOM 0 HB2 PHE A 52 10.445 -9.990 10.779 1.00 21.24 H new ATOM 0 HB3 PHE A 52 10.737 -8.986 9.373 1.00 21.24 H new ATOM 0 HD1 PHE A 52 11.760 -6.529 10.162 1.00 44.12 H new ATOM 0 HD2 PHE A 52 12.282 -10.261 12.148 1.00 63.04 H new ATOM 0 HE1 PHE A 52 13.828 -5.691 11.188 1.00 43.51 H new ATOM 0 HE2 PHE A 52 14.351 -9.426 13.176 1.00 74.02 H new ATOM 0 HZ PHE A 52 15.131 -7.140 12.695 1.00 52.32 H new ATOM 830 N LEU A 53 7.803 -7.235 9.185 1.00 45.15 N ATOM 831 CA LEU A 53 6.765 -7.297 8.162 1.00 41.53 C ATOM 832 C LEU A 53 7.078 -6.347 7.010 1.00 42.21 C ATOM 833 O LEU A 53 7.561 -5.236 7.222 1.00 4.50 O ATOM 834 CB LEU A 53 5.404 -6.950 8.768 1.00 72.45 C ATOM 835 CG LEU A 53 5.096 -7.576 10.128 1.00 21.14 C ATOM 836 CD1 LEU A 53 3.920 -6.871 10.786 1.00 21.24 C ATOM 837 CD2 LEU A 53 4.813 -9.064 9.980 1.00 42.13 C ATOM 0 H LEU A 53 8.104 -6.290 9.424 1.00 45.15 H new ATOM 0 HA LEU A 53 6.734 -8.314 7.772 1.00 41.53 H new ATOM 0 HB2 LEU A 53 5.338 -5.866 8.866 1.00 72.45 H new ATOM 0 HB3 LEU A 53 4.628 -7.255 8.066 1.00 72.45 H new ATOM 0 HG LEU A 53 5.970 -7.455 10.768 1.00 21.14 H new ATOM 0 HD11 LEU A 53 3.715 -7.330 11.753 1.00 21.24 H new ATOM 0 HD12 LEU A 53 4.161 -5.817 10.928 1.00 21.24 H new ATOM 0 HD13 LEU A 53 3.040 -6.959 10.149 1.00 21.24 H new ATOM 0 HD21 LEU A 53 4.596 -9.492 10.959 1.00 42.13 H new ATOM 0 HD22 LEU A 53 3.955 -9.208 9.323 1.00 42.13 H new ATOM 0 HD23 LEU A 53 5.685 -9.559 9.553 1.00 42.13 H new ATOM 849 N GLY A 54 6.797 -6.792 5.789 1.00 21.30 N ATOM 850 CA GLY A 54 7.053 -5.969 4.622 1.00 43.03 C ATOM 851 C GLY A 54 6.167 -4.740 4.573 1.00 23.03 C ATOM 852 O GLY A 54 5.337 -4.512 5.453 1.00 32.11 O ATOM 0 H GLY A 54 6.396 -7.708 5.588 1.00 21.30 H new ATOM 0 HA2 GLY A 54 8.098 -5.660 4.622 1.00 43.03 H new ATOM 0 HA3 GLY A 54 6.896 -6.562 3.721 1.00 43.03 H new ATOM 856 N PRO A 55 6.341 -3.921 3.525 1.00 22.31 N ATOM 857 CA PRO A 55 5.561 -2.694 3.341 1.00 74.30 C ATOM 858 C PRO A 55 4.102 -2.981 3.000 1.00 1.22 C ATOM 859 O PRO A 55 3.203 -2.243 3.403 1.00 51.41 O ATOM 860 CB PRO A 55 6.258 -2.003 2.167 1.00 42.10 C ATOM 861 CG PRO A 55 6.914 -3.107 1.412 1.00 75.40 C ATOM 862 CD PRO A 55 7.313 -4.131 2.439 1.00 50.22 C ATOM 0 HA PRO A 55 5.528 -2.092 4.249 1.00 74.30 H new ATOM 0 HB2 PRO A 55 5.543 -1.467 1.543 1.00 42.10 H new ATOM 0 HB3 PRO A 55 6.989 -1.273 2.515 1.00 42.10 H new ATOM 0 HG2 PRO A 55 6.233 -3.536 0.677 1.00 75.40 H new ATOM 0 HG3 PRO A 55 7.784 -2.743 0.865 1.00 75.40 H new ATOM 0 HD2 PRO A 55 7.257 -5.144 2.040 1.00 50.22 H new ATOM 0 HD3 PRO A 55 8.337 -3.979 2.781 1.00 50.22 H new ATOM 870 N LYS A 56 3.874 -4.058 2.256 1.00 12.30 N ATOM 871 CA LYS A 56 2.524 -4.444 1.862 1.00 42.22 C ATOM 872 C LYS A 56 1.734 -4.960 3.060 1.00 22.31 C ATOM 873 O LYS A 56 0.521 -5.152 2.980 1.00 53.14 O ATOM 874 CB LYS A 56 2.576 -5.516 0.771 1.00 24.23 C ATOM 875 CG LYS A 56 3.120 -5.010 -0.554 1.00 31.33 C ATOM 876 CD LYS A 56 2.886 -6.013 -1.672 1.00 11.44 C ATOM 877 CE LYS A 56 3.796 -7.223 -1.534 1.00 62.41 C ATOM 878 NZ LYS A 56 4.010 -7.908 -2.839 1.00 41.54 N ATOM 0 H LYS A 56 4.607 -4.679 1.914 1.00 12.30 H new ATOM 0 HA LYS A 56 2.020 -3.560 1.471 1.00 42.22 H new ATOM 0 HB2 LYS A 56 3.195 -6.344 1.116 1.00 24.23 H new ATOM 0 HB3 LYS A 56 1.573 -5.912 0.615 1.00 24.23 H new ATOM 0 HG2 LYS A 56 2.642 -4.064 -0.807 1.00 31.33 H new ATOM 0 HG3 LYS A 56 4.188 -4.813 -0.459 1.00 31.33 H new ATOM 0 HD2 LYS A 56 1.845 -6.336 -1.660 1.00 11.44 H new ATOM 0 HD3 LYS A 56 3.060 -5.533 -2.635 1.00 11.44 H new ATOM 0 HE2 LYS A 56 4.757 -6.910 -1.126 1.00 62.41 H new ATOM 0 HE3 LYS A 56 3.361 -7.925 -0.822 1.00 62.41 H new ATOM 0 HZ1 LYS A 56 4.636 -8.727 -2.702 1.00 41.54 H new ATOM 0 HZ2 LYS A 56 3.096 -8.229 -3.216 1.00 41.54 H new ATOM 0 HZ3 LYS A 56 4.448 -7.246 -3.511 1.00 41.54 H new ATOM 892 N ASP A 57 2.429 -5.182 4.170 1.00 25.20 N ATOM 893 CA ASP A 57 1.792 -5.674 5.386 1.00 1.00 C ATOM 894 C ASP A 57 1.492 -4.526 6.345 1.00 51.14 C ATOM 895 O ASP A 57 0.530 -4.580 7.112 1.00 60.44 O ATOM 896 CB ASP A 57 2.685 -6.708 6.073 1.00 23.11 C ATOM 897 CG ASP A 57 2.399 -8.122 5.606 1.00 11.24 C ATOM 898 OD1 ASP A 57 1.359 -8.681 6.013 1.00 23.20 O ATOM 899 OD2 ASP A 57 3.215 -8.669 4.835 1.00 32.22 O ATOM 0 H ASP A 57 3.434 -5.029 4.253 1.00 25.20 H new ATOM 0 HA ASP A 57 0.850 -6.147 5.107 1.00 1.00 H new ATOM 0 HB2 ASP A 57 3.730 -6.468 5.877 1.00 23.11 H new ATOM 0 HB3 ASP A 57 2.541 -6.649 7.152 1.00 23.11 H new ATOM 904 N ILE A 58 2.321 -3.489 6.296 1.00 42.01 N ATOM 905 CA ILE A 58 2.144 -2.328 7.160 1.00 60.51 C ATOM 906 C ILE A 58 1.367 -1.226 6.448 1.00 63.34 C ATOM 907 O ILE A 58 1.610 -0.939 5.275 1.00 4.34 O ATOM 908 CB ILE A 58 3.498 -1.765 7.630 1.00 11.04 C ATOM 909 CG1 ILE A 58 4.391 -1.453 6.428 1.00 51.12 C ATOM 910 CG2 ILE A 58 4.185 -2.749 8.566 1.00 53.31 C ATOM 911 CD1 ILE A 58 5.684 -0.760 6.799 1.00 74.44 C ATOM 0 H ILE A 58 3.122 -3.429 5.667 1.00 42.01 H new ATOM 0 HA ILE A 58 1.578 -2.664 8.029 1.00 60.51 H new ATOM 0 HB ILE A 58 3.319 -0.839 8.176 1.00 11.04 H new ATOM 0 HG12 ILE A 58 4.623 -2.382 5.907 1.00 51.12 H new ATOM 0 HG13 ILE A 58 3.839 -0.825 5.729 1.00 51.12 H new ATOM 0 HG21 ILE A 58 5.141 -2.337 8.890 1.00 53.31 H new ATOM 0 HG22 ILE A 58 3.553 -2.926 9.436 1.00 53.31 H new ATOM 0 HG23 ILE A 58 4.354 -3.691 8.044 1.00 53.31 H new ATOM 0 HD11 ILE A 58 6.267 -0.570 5.898 1.00 74.44 H new ATOM 0 HD12 ILE A 58 5.461 0.186 7.293 1.00 74.44 H new ATOM 0 HD13 ILE A 58 6.257 -1.396 7.474 1.00 74.44 H new ATOM 923 N PHE A 59 0.433 -0.611 7.164 1.00 14.12 N ATOM 924 CA PHE A 59 -0.380 0.461 6.601 1.00 10.13 C ATOM 925 C PHE A 59 -0.165 1.765 7.364 1.00 23.24 C ATOM 926 O PHE A 59 0.330 1.779 8.492 1.00 52.42 O ATOM 927 CB PHE A 59 -1.861 0.077 6.632 1.00 1.54 C ATOM 928 CG PHE A 59 -2.349 -0.531 5.349 1.00 35.53 C ATOM 929 CD1 PHE A 59 -1.936 -1.797 4.966 1.00 34.45 C ATOM 930 CD2 PHE A 59 -3.222 0.162 4.526 1.00 32.22 C ATOM 931 CE1 PHE A 59 -2.384 -2.360 3.786 1.00 41.41 C ATOM 932 CE2 PHE A 59 -3.673 -0.395 3.344 1.00 34.55 C ATOM 933 CZ PHE A 59 -3.254 -1.658 2.975 1.00 74.45 C ATOM 0 H PHE A 59 0.220 -0.836 8.136 1.00 14.12 H new ATOM 0 HA PHE A 59 -0.072 0.611 5.566 1.00 10.13 H new ATOM 0 HB2 PHE A 59 -2.028 -0.629 7.446 1.00 1.54 H new ATOM 0 HB3 PHE A 59 -2.454 0.965 6.853 1.00 1.54 H new ATOM 0 HD1 PHE A 59 -1.256 -2.350 5.597 1.00 34.45 H new ATOM 0 HD2 PHE A 59 -3.554 1.149 4.811 1.00 32.22 H new ATOM 0 HE1 PHE A 59 -2.054 -3.347 3.499 1.00 41.41 H new ATOM 0 HE2 PHE A 59 -4.352 0.157 2.710 1.00 34.55 H new ATOM 0 HZ PHE A 59 -3.606 -2.096 2.053 1.00 74.45 H new ATOM 943 N PRO A 60 -0.544 2.887 6.736 1.00 50.32 N ATOM 944 CA PRO A 60 -0.403 4.217 7.336 1.00 4.20 C ATOM 945 C PRO A 60 -1.360 4.431 8.504 1.00 43.04 C ATOM 946 O PRO A 60 -2.561 4.189 8.386 1.00 32.54 O ATOM 947 CB PRO A 60 -0.745 5.165 6.184 1.00 62.24 C ATOM 948 CG PRO A 60 -1.622 4.365 5.284 1.00 53.24 C ATOM 949 CD PRO A 60 -1.141 2.945 5.391 1.00 62.32 C ATOM 0 HA PRO A 60 0.592 4.372 7.752 1.00 4.20 H new ATOM 0 HB2 PRO A 60 -1.256 6.058 6.544 1.00 62.24 H new ATOM 0 HB3 PRO A 60 0.154 5.500 5.666 1.00 62.24 H new ATOM 0 HG2 PRO A 60 -2.667 4.447 5.584 1.00 53.24 H new ATOM 0 HG3 PRO A 60 -1.556 4.723 4.256 1.00 53.24 H new ATOM 0 HD2 PRO A 60 -1.960 2.234 5.284 1.00 62.32 H new ATOM 0 HD3 PRO A 60 -0.411 2.709 4.617 1.00 62.32 H new ATOM 957 N TYR A 61 -0.820 4.887 9.629 1.00 73.52 N ATOM 958 CA TYR A 61 -1.627 5.131 10.819 1.00 42.24 C ATOM 959 C TYR A 61 -2.675 6.208 10.554 1.00 30.35 C ATOM 960 O TYR A 61 -3.641 6.347 11.305 1.00 60.23 O ATOM 961 CB TYR A 61 -0.734 5.549 11.988 1.00 10.03 C ATOM 962 CG TYR A 61 -0.696 7.043 12.217 1.00 4.11 C ATOM 963 CD1 TYR A 61 0.051 7.874 11.390 1.00 33.44 C ATOM 964 CD2 TYR A 61 -1.407 7.624 13.260 1.00 42.31 C ATOM 965 CE1 TYR A 61 0.089 9.239 11.596 1.00 1.04 C ATOM 966 CE2 TYR A 61 -1.375 8.989 13.472 1.00 14.05 C ATOM 967 CZ TYR A 61 -0.626 9.792 12.638 1.00 23.05 C ATOM 968 OH TYR A 61 -0.591 11.152 12.846 1.00 31.11 O ATOM 0 H TYR A 61 0.172 5.095 9.742 1.00 73.52 H new ATOM 0 HA TYR A 61 -2.141 4.205 11.076 1.00 42.24 H new ATOM 0 HB2 TYR A 61 -1.086 5.060 12.896 1.00 10.03 H new ATOM 0 HB3 TYR A 61 0.280 5.192 11.806 1.00 10.03 H new ATOM 0 HD1 TYR A 61 0.611 7.445 10.572 1.00 33.44 H new ATOM 0 HD2 TYR A 61 -1.994 6.998 13.916 1.00 42.31 H new ATOM 0 HE1 TYR A 61 0.675 9.870 10.945 1.00 1.04 H new ATOM 0 HE2 TYR A 61 -1.934 9.425 14.287 1.00 14.05 H new ATOM 0 HH TYR A 61 -0.113 11.343 13.680 1.00 31.11 H new ATOM 978 N SER A 62 -2.477 6.967 9.482 1.00 63.24 N ATOM 979 CA SER A 62 -3.402 8.034 9.118 1.00 31.43 C ATOM 980 C SER A 62 -4.761 7.463 8.723 1.00 23.00 C ATOM 981 O SER A 62 -5.763 8.176 8.705 1.00 53.20 O ATOM 982 CB SER A 62 -2.830 8.864 7.967 1.00 34.43 C ATOM 983 OG SER A 62 -3.417 10.153 7.928 1.00 42.01 O ATOM 0 H SER A 62 -1.684 6.863 8.849 1.00 63.24 H new ATOM 0 HA SER A 62 -3.536 8.677 9.988 1.00 31.43 H new ATOM 0 HB2 SER A 62 -1.750 8.956 8.082 1.00 34.43 H new ATOM 0 HB3 SER A 62 -3.007 8.351 7.022 1.00 34.43 H new ATOM 0 HG SER A 62 -3.034 10.665 7.185 1.00 42.01 H new ATOM 989 N GLU A 63 -4.784 6.172 8.407 1.00 71.10 N ATOM 990 CA GLU A 63 -6.019 5.505 8.011 1.00 11.30 C ATOM 991 C GLU A 63 -6.690 4.844 9.212 1.00 43.22 C ATOM 992 O GLU A 63 -7.915 4.828 9.321 1.00 41.42 O ATOM 993 CB GLU A 63 -5.736 4.459 6.931 1.00 53.11 C ATOM 994 CG GLU A 63 -6.898 4.241 5.976 1.00 43.23 C ATOM 995 CD GLU A 63 -7.074 5.389 5.000 1.00 22.50 C ATOM 996 OE1 GLU A 63 -6.142 5.644 4.209 1.00 72.53 O ATOM 997 OE2 GLU A 63 -8.144 6.031 5.028 1.00 13.31 O ATOM 0 H GLU A 63 -3.962 5.568 8.417 1.00 71.10 H new ATOM 0 HA GLU A 63 -6.696 6.259 7.608 1.00 11.30 H new ATOM 0 HB2 GLU A 63 -4.860 4.766 6.360 1.00 53.11 H new ATOM 0 HB3 GLU A 63 -5.488 3.512 7.410 1.00 53.11 H new ATOM 0 HG2 GLU A 63 -6.738 3.317 5.420 1.00 43.23 H new ATOM 0 HG3 GLU A 63 -7.816 4.113 6.550 1.00 43.23 H new ATOM 1004 N ASN A 64 -5.876 4.299 10.110 1.00 32.04 N ATOM 1005 CA ASN A 64 -6.390 3.635 11.303 1.00 1.10 C ATOM 1006 C ASN A 64 -6.756 4.654 12.378 1.00 52.23 C ATOM 1007 O ASN A 64 -7.840 4.598 12.959 1.00 53.22 O ATOM 1008 CB ASN A 64 -5.354 2.650 11.850 1.00 54.41 C ATOM 1009 CG ASN A 64 -5.022 1.552 10.859 1.00 24.30 C ATOM 1010 OD1 ASN A 64 -5.643 0.489 10.861 1.00 15.32 O ATOM 1011 ND2 ASN A 64 -4.036 1.804 10.006 1.00 63.43 N ATOM 0 H ASN A 64 -4.859 4.304 10.035 1.00 32.04 H new ATOM 0 HA ASN A 64 -7.291 3.088 11.024 1.00 1.10 H new ATOM 0 HB2 ASN A 64 -4.443 3.191 12.108 1.00 54.41 H new ATOM 0 HB3 ASN A 64 -5.731 2.204 12.770 1.00 54.41 H new ATOM 0 HD21 ASN A 64 -3.766 1.102 9.317 1.00 63.43 H new ATOM 0 HD22 ASN A 64 -3.548 2.699 10.040 1.00 63.43 H new ATOM 1018 N LYS A 65 -5.845 5.586 12.637 1.00 71.11 N ATOM 1019 CA LYS A 65 -6.071 6.620 13.640 1.00 71.21 C ATOM 1020 C LYS A 65 -7.359 7.384 13.352 1.00 14.24 C ATOM 1021 O LYS A 65 -7.999 7.905 14.266 1.00 42.35 O ATOM 1022 CB LYS A 65 -4.888 7.590 13.678 1.00 21.41 C ATOM 1023 CG LYS A 65 -4.903 8.612 12.555 1.00 61.01 C ATOM 1024 CD LYS A 65 -5.590 9.899 12.981 1.00 20.52 C ATOM 1025 CE LYS A 65 -5.093 11.089 12.175 1.00 11.14 C ATOM 1026 NZ LYS A 65 -5.827 11.233 10.888 1.00 73.32 N ATOM 0 H LYS A 65 -4.942 5.646 12.166 1.00 71.11 H new ATOM 0 HA LYS A 65 -6.166 6.135 14.611 1.00 71.21 H new ATOM 0 HB2 LYS A 65 -4.889 8.113 14.634 1.00 21.41 H new ATOM 0 HB3 LYS A 65 -3.960 7.020 13.627 1.00 21.41 H new ATOM 0 HG2 LYS A 65 -3.881 8.829 12.246 1.00 61.01 H new ATOM 0 HG3 LYS A 65 -5.416 8.194 11.689 1.00 61.01 H new ATOM 0 HD2 LYS A 65 -6.668 9.797 12.854 1.00 20.52 H new ATOM 0 HD3 LYS A 65 -5.409 10.075 14.041 1.00 20.52 H new ATOM 0 HE2 LYS A 65 -5.209 12.000 12.763 1.00 11.14 H new ATOM 0 HE3 LYS A 65 -4.028 10.972 11.974 1.00 11.14 H new ATOM 0 HZ1 LYS A 65 -5.459 12.055 10.368 1.00 73.32 H new ATOM 0 HZ2 LYS A 65 -5.696 10.375 10.316 1.00 73.32 H new ATOM 0 HZ3 LYS A 65 -6.840 11.370 11.080 1.00 73.32 H new ATOM 1040 N GLU A 66 -7.734 7.445 12.078 1.00 15.35 N ATOM 1041 CA GLU A 66 -8.947 8.146 11.673 1.00 73.33 C ATOM 1042 C GLU A 66 -10.170 7.244 11.816 1.00 51.11 C ATOM 1043 O GLU A 66 -11.305 7.720 11.862 1.00 62.34 O ATOM 1044 CB GLU A 66 -8.824 8.630 10.226 1.00 24.15 C ATOM 1045 CG GLU A 66 -9.972 9.519 9.782 1.00 54.31 C ATOM 1046 CD GLU A 66 -9.832 9.979 8.344 1.00 43.02 C ATOM 1047 OE1 GLU A 66 -8.930 10.797 8.067 1.00 2.14 O ATOM 1048 OE2 GLU A 66 -10.624 9.520 7.495 1.00 71.24 O ATOM 0 H GLU A 66 -7.216 7.018 11.310 1.00 15.35 H new ATOM 0 HA GLU A 66 -9.074 9.008 12.328 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -7.888 9.177 10.113 1.00 24.15 H new ATOM 0 HB3 GLU A 66 -8.770 7.764 9.566 1.00 24.15 H new ATOM 0 HG2 GLU A 66 -10.911 8.977 9.896 1.00 54.31 H new ATOM 0 HG3 GLU A 66 -10.025 10.390 10.435 1.00 54.31 H new ATOM 1055 N LYS A 67 -9.931 5.939 11.886 1.00 45.13 N ATOM 1056 CA LYS A 67 -11.010 4.969 12.024 1.00 31.24 C ATOM 1057 C LYS A 67 -11.544 4.950 13.453 1.00 75.11 C ATOM 1058 O LYS A 67 -12.725 5.207 13.688 1.00 75.14 O ATOM 1059 CB LYS A 67 -10.522 3.572 11.633 1.00 41.44 C ATOM 1060 CG LYS A 67 -10.325 3.394 10.137 1.00 3.22 C ATOM 1061 CD LYS A 67 -11.554 2.789 9.481 1.00 52.12 C ATOM 1062 CE LYS A 67 -11.629 1.288 9.714 1.00 22.01 C ATOM 1063 NZ LYS A 67 -12.630 0.637 8.824 1.00 42.40 N ATOM 0 H LYS A 67 -8.998 5.529 11.849 1.00 45.13 H new ATOM 0 HA LYS A 67 -11.818 5.265 11.355 1.00 31.24 H new ATOM 0 HB2 LYS A 67 -9.580 3.370 12.142 1.00 41.44 H new ATOM 0 HB3 LYS A 67 -11.241 2.833 11.987 1.00 41.44 H new ATOM 0 HG2 LYS A 67 -10.106 4.359 9.681 1.00 3.22 H new ATOM 0 HG3 LYS A 67 -9.462 2.753 9.956 1.00 3.22 H new ATOM 0 HD2 LYS A 67 -12.451 3.265 9.878 1.00 52.12 H new ATOM 0 HD3 LYS A 67 -11.533 2.991 8.410 1.00 52.12 H new ATOM 0 HE2 LYS A 67 -10.648 0.845 9.543 1.00 22.01 H new ATOM 0 HE3 LYS A 67 -11.889 1.095 10.755 1.00 22.01 H new ATOM 0 HZ1 LYS A 67 -12.651 -0.385 9.014 1.00 42.40 H new ATOM 0 HZ2 LYS A 67 -13.571 1.042 9.005 1.00 42.40 H new ATOM 0 HZ3 LYS A 67 -12.369 0.799 7.831 1.00 42.40 H new ATOM 1077 N TYR A 68 -10.668 4.646 14.403 1.00 21.44 N ATOM 1078 CA TYR A 68 -11.052 4.593 15.809 1.00 73.41 C ATOM 1079 C TYR A 68 -10.091 5.408 16.668 1.00 42.32 C ATOM 1080 O TYR A 68 -10.441 5.853 17.760 1.00 25.54 O ATOM 1081 CB TYR A 68 -11.084 3.143 16.296 1.00 35.01 C ATOM 1082 CG TYR A 68 -11.151 2.129 15.176 1.00 5.14 C ATOM 1083 CD1 TYR A 68 -12.366 1.779 14.601 1.00 41.01 C ATOM 1084 CD2 TYR A 68 -9.998 1.521 14.695 1.00 72.45 C ATOM 1085 CE1 TYR A 68 -12.431 0.853 13.578 1.00 74.30 C ATOM 1086 CE2 TYR A 68 -10.054 0.594 13.671 1.00 11.51 C ATOM 1087 CZ TYR A 68 -11.273 0.264 13.116 1.00 22.33 C ATOM 1088 OH TYR A 68 -11.333 -0.660 12.098 1.00 43.54 O ATOM 0 H TYR A 68 -9.687 4.432 14.226 1.00 21.44 H new ATOM 0 HA TYR A 68 -12.049 5.024 15.903 1.00 73.41 H new ATOM 0 HB2 TYR A 68 -10.195 2.951 16.896 1.00 35.01 H new ATOM 0 HB3 TYR A 68 -11.945 3.007 16.950 1.00 35.01 H new ATOM 0 HD1 TYR A 68 -13.275 2.239 14.960 1.00 41.01 H new ATOM 0 HD2 TYR A 68 -9.042 1.777 15.128 1.00 72.45 H new ATOM 0 HE1 TYR A 68 -13.384 0.592 13.142 1.00 74.30 H new ATOM 0 HE2 TYR A 68 -9.149 0.131 13.308 1.00 11.51 H new ATOM 0 HH TYR A 68 -10.429 -0.978 11.891 1.00 43.54 H new ATOM 1098 N GLY A 69 -8.876 5.602 16.164 1.00 63.23 N ATOM 1099 CA GLY A 69 -7.881 6.364 16.896 1.00 34.02 C ATOM 1100 C GLY A 69 -7.285 5.582 18.049 1.00 20.44 C ATOM 1101 O GLY A 69 -6.245 5.956 18.592 1.00 12.11 O ATOM 0 H GLY A 69 -8.563 5.245 15.261 1.00 63.23 H new ATOM 0 HA2 GLY A 69 -7.085 6.665 16.215 1.00 34.02 H new ATOM 0 HA3 GLY A 69 -8.336 7.278 17.278 1.00 34.02 H new ATOM 1105 N LYS A 70 -7.945 4.492 18.427 1.00 61.11 N ATOM 1106 CA LYS A 70 -7.475 3.654 19.524 1.00 60.23 C ATOM 1107 C LYS A 70 -7.887 2.200 19.313 1.00 14.51 C ATOM 1108 O LYS A 70 -8.836 1.898 18.589 1.00 61.11 O ATOM 1109 CB LYS A 70 -8.028 4.164 20.856 1.00 14.21 C ATOM 1110 CG LYS A 70 -9.510 4.497 20.812 1.00 63.10 C ATOM 1111 CD LYS A 70 -10.364 3.240 20.811 1.00 3.12 C ATOM 1112 CE LYS A 70 -11.710 3.481 21.477 1.00 71.24 C ATOM 1113 NZ LYS A 70 -11.560 3.875 22.905 1.00 53.02 N ATOM 0 H LYS A 70 -8.808 4.168 17.989 1.00 61.11 H new ATOM 0 HA LYS A 70 -6.386 3.705 19.547 1.00 60.23 H new ATOM 0 HB2 LYS A 70 -7.856 3.410 21.624 1.00 14.21 H new ATOM 0 HB3 LYS A 70 -7.473 5.054 21.154 1.00 14.21 H new ATOM 0 HG2 LYS A 70 -9.771 5.114 21.672 1.00 63.10 H new ATOM 0 HG3 LYS A 70 -9.725 5.085 19.920 1.00 63.10 H new ATOM 0 HD2 LYS A 70 -10.519 2.905 19.785 1.00 3.12 H new ATOM 0 HD3 LYS A 70 -9.837 2.440 21.332 1.00 3.12 H new ATOM 0 HE2 LYS A 70 -12.246 4.263 20.939 1.00 71.24 H new ATOM 0 HE3 LYS A 70 -12.315 2.576 21.412 1.00 71.24 H new ATOM 0 HZ1 LYS A 70 -12.403 3.580 23.437 1.00 53.02 H new ATOM 0 HZ2 LYS A 70 -10.719 3.414 23.306 1.00 53.02 H new ATOM 0 HZ3 LYS A 70 -11.453 4.907 22.971 1.00 53.02 H new ATOM 1127 N PRO A 71 -7.160 1.278 19.961 1.00 13.31 N ATOM 1128 CA PRO A 71 -7.434 -0.158 19.862 1.00 63.52 C ATOM 1129 C PRO A 71 -8.732 -0.551 20.558 1.00 12.01 C ATOM 1130 O PRO A 71 -9.082 0.004 21.599 1.00 44.22 O ATOM 1131 CB PRO A 71 -6.235 -0.797 20.567 1.00 64.32 C ATOM 1132 CG PRO A 71 -5.750 0.248 21.511 1.00 23.44 C ATOM 1133 CD PRO A 71 -6.016 1.567 20.841 1.00 4.22 C ATOM 0 HA PRO A 71 -7.559 -0.478 18.828 1.00 63.52 H new ATOM 0 HB2 PRO A 71 -6.525 -1.705 21.096 1.00 64.32 H new ATOM 0 HB3 PRO A 71 -5.460 -1.077 19.854 1.00 64.32 H new ATOM 0 HG2 PRO A 71 -6.271 0.183 22.466 1.00 23.44 H new ATOM 0 HG3 PRO A 71 -4.687 0.123 21.719 1.00 23.44 H new ATOM 0 HD2 PRO A 71 -6.253 2.345 21.566 1.00 4.22 H new ATOM 0 HD3 PRO A 71 -5.151 1.912 20.275 1.00 4.22 H new ATOM 1141 N ASN A 72 -9.443 -1.512 19.977 1.00 51.22 N ATOM 1142 CA ASN A 72 -10.704 -1.979 20.542 1.00 2.53 C ATOM 1143 C ASN A 72 -10.499 -3.261 21.343 1.00 11.23 C ATOM 1144 O ASN A 72 -10.809 -3.319 22.534 1.00 42.15 O ATOM 1145 CB ASN A 72 -11.728 -2.216 19.431 1.00 33.10 C ATOM 1146 CG ASN A 72 -13.157 -2.116 19.930 1.00 3.34 C ATOM 1147 OD1 ASN A 72 -13.932 -3.066 19.824 1.00 64.33 O ATOM 1148 ND2 ASN A 72 -13.512 -0.960 20.479 1.00 5.41 N ATOM 0 H ASN A 72 -9.167 -1.983 19.115 1.00 51.22 H new ATOM 0 HA ASN A 72 -11.080 -1.208 21.214 1.00 2.53 H new ATOM 0 HB2 ASN A 72 -11.572 -1.487 18.636 1.00 33.10 H new ATOM 0 HB3 ASN A 72 -11.566 -3.202 18.996 1.00 33.10 H new ATOM 0 HD21 ASN A 72 -14.460 -0.834 20.833 1.00 5.41 H new ATOM 0 HD22 ASN A 72 -12.837 -0.199 20.546 1.00 5.41 H new ATOM 1155 N LYS A 73 -9.975 -4.287 20.682 1.00 22.34 N ATOM 1156 CA LYS A 73 -9.726 -5.569 21.331 1.00 30.05 C ATOM 1157 C LYS A 73 -8.246 -5.931 21.271 1.00 64.30 C ATOM 1158 O LYS A 73 -7.888 -7.104 21.156 1.00 11.23 O ATOM 1159 CB LYS A 73 -10.559 -6.669 20.669 1.00 24.35 C ATOM 1160 CG LYS A 73 -12.038 -6.599 21.007 1.00 1.00 C ATOM 1161 CD LYS A 73 -12.866 -7.455 20.063 1.00 14.45 C ATOM 1162 CE LYS A 73 -12.994 -8.882 20.572 1.00 21.24 C ATOM 1163 NZ LYS A 73 -11.899 -9.753 20.061 1.00 32.04 N ATOM 0 H LYS A 73 -9.714 -4.256 19.696 1.00 22.34 H new ATOM 0 HA LYS A 73 -10.018 -5.481 22.378 1.00 30.05 H new ATOM 0 HB2 LYS A 73 -10.439 -6.603 19.588 1.00 24.35 H new ATOM 0 HB3 LYS A 73 -10.171 -7.641 20.974 1.00 24.35 H new ATOM 0 HG2 LYS A 73 -12.194 -6.932 22.033 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -12.376 -5.564 20.953 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -13.858 -7.018 19.949 1.00 14.45 H new ATOM 0 HD3 LYS A 73 -12.405 -7.460 19.075 1.00 14.45 H new ATOM 0 HE2 LYS A 73 -12.979 -8.882 21.662 1.00 21.24 H new ATOM 0 HE3 LYS A 73 -13.957 -9.292 20.266 1.00 21.24 H new ATOM 0 HZ1 LYS A 73 -12.308 -10.581 19.582 1.00 32.04 H new ATOM 0 HZ2 LYS A 73 -11.315 -9.217 19.387 1.00 32.04 H new ATOM 0 HZ3 LYS A 73 -11.308 -10.070 20.856 1.00 32.04 H new ATOM 1177 N ARG A 74 -7.389 -4.918 21.350 1.00 13.03 N ATOM 1178 CA ARG A 74 -5.948 -5.130 21.305 1.00 63.52 C ATOM 1179 C ARG A 74 -5.306 -4.798 22.649 1.00 54.53 C ATOM 1180 O ARG A 74 -5.212 -3.631 23.032 1.00 21.31 O ATOM 1181 CB ARG A 74 -5.319 -4.276 20.202 1.00 34.32 C ATOM 1182 CG ARG A 74 -5.834 -4.604 18.810 1.00 21.00 C ATOM 1183 CD ARG A 74 -7.124 -3.860 18.503 1.00 1.53 C ATOM 1184 NE ARG A 74 -7.001 -3.017 17.317 1.00 43.02 N ATOM 1185 CZ ARG A 74 -8.038 -2.606 16.596 1.00 33.13 C ATOM 1186 NH1 ARG A 74 -9.269 -2.958 16.940 1.00 34.12 N ATOM 1187 NH2 ARG A 74 -7.845 -1.841 15.529 1.00 14.05 N ATOM 0 H ARG A 74 -7.669 -3.942 21.446 1.00 13.03 H new ATOM 0 HA ARG A 74 -5.768 -6.183 21.087 1.00 63.52 H new ATOM 0 HB2 ARG A 74 -5.513 -3.224 20.413 1.00 34.32 H new ATOM 0 HB3 ARG A 74 -4.238 -4.411 20.221 1.00 34.32 H new ATOM 0 HG2 ARG A 74 -5.077 -4.343 18.070 1.00 21.00 H new ATOM 0 HG3 ARG A 74 -6.003 -5.678 18.727 1.00 21.00 H new ATOM 0 HD2 ARG A 74 -7.930 -4.578 18.355 1.00 1.53 H new ATOM 0 HD3 ARG A 74 -7.399 -3.244 19.359 1.00 1.53 H new ATOM 0 HE ARG A 74 -6.067 -2.728 17.026 1.00 43.02 H new ATOM 0 HH11 ARG A 74 -9.421 -3.546 17.760 1.00 34.12 H new ATOM 0 HH12 ARG A 74 -10.064 -2.641 16.385 1.00 34.12 H new ATOM 0 HH21 ARG A 74 -6.899 -1.568 15.262 1.00 14.05 H new ATOM 0 HH22 ARG A 74 -8.642 -1.526 14.976 1.00 14.05 H new ATOM 1201 N LYS A 75 -4.868 -5.830 23.361 1.00 45.21 N ATOM 1202 CA LYS A 75 -4.234 -5.649 24.662 1.00 54.42 C ATOM 1203 C LYS A 75 -3.114 -4.616 24.583 1.00 74.03 C ATOM 1204 O LYS A 75 -2.473 -4.460 23.545 1.00 61.14 O ATOM 1205 CB LYS A 75 -3.679 -6.980 25.172 1.00 74.52 C ATOM 1206 CG LYS A 75 -2.684 -7.627 24.224 1.00 30.43 C ATOM 1207 CD LYS A 75 -2.470 -9.095 24.557 1.00 52.42 C ATOM 1208 CE LYS A 75 -3.594 -9.960 24.007 1.00 22.14 C ATOM 1209 NZ LYS A 75 -3.586 -10.000 22.519 1.00 62.32 N ATOM 0 H LYS A 75 -4.940 -6.802 23.059 1.00 45.21 H new ATOM 0 HA LYS A 75 -4.990 -5.287 25.359 1.00 54.42 H new ATOM 0 HB2 LYS A 75 -3.197 -6.818 26.136 1.00 74.52 H new ATOM 0 HB3 LYS A 75 -4.507 -7.668 25.342 1.00 74.52 H new ATOM 0 HG2 LYS A 75 -3.043 -7.534 23.199 1.00 30.43 H new ATOM 0 HG3 LYS A 75 -1.732 -7.098 24.277 1.00 30.43 H new ATOM 0 HD2 LYS A 75 -1.518 -9.428 24.144 1.00 52.42 H new ATOM 0 HD3 LYS A 75 -2.410 -9.219 25.638 1.00 52.42 H new ATOM 0 HE2 LYS A 75 -3.497 -10.973 24.398 1.00 22.14 H new ATOM 0 HE3 LYS A 75 -4.552 -9.574 24.355 1.00 22.14 H new ATOM 0 HZ1 LYS A 75 -4.118 -10.831 22.191 1.00 62.32 H new ATOM 0 HZ2 LYS A 75 -4.029 -9.136 22.146 1.00 62.32 H new ATOM 0 HZ3 LYS A 75 -2.605 -10.060 22.179 1.00 62.32 H new ATOM 1223 N GLY A 76 -2.884 -3.914 25.688 1.00 41.51 N ATOM 1224 CA GLY A 76 -1.840 -2.906 25.722 1.00 10.11 C ATOM 1225 C GLY A 76 -2.360 -1.521 25.390 1.00 63.31 C ATOM 1226 O GLY A 76 -1.581 -0.587 25.201 1.00 43.23 O ATOM 0 H GLY A 76 -3.401 -4.025 26.560 1.00 41.51 H new ATOM 0 HA2 GLY A 76 -1.385 -2.892 26.712 1.00 10.11 H new ATOM 0 HA3 GLY A 76 -1.056 -3.176 25.015 1.00 10.11 H new ATOM 1230 N PHE A 77 -3.680 -1.388 25.317 1.00 61.22 N ATOM 1231 CA PHE A 77 -4.303 -0.108 25.002 1.00 1.12 C ATOM 1232 C PHE A 77 -3.965 0.936 26.062 1.00 14.43 C ATOM 1233 O PHE A 77 -3.731 0.604 27.223 1.00 4.23 O ATOM 1234 CB PHE A 77 -5.821 -0.268 24.893 1.00 23.33 C ATOM 1235 CG PHE A 77 -6.456 -0.823 26.136 1.00 25.23 C ATOM 1236 CD1 PHE A 77 -6.818 0.015 27.178 1.00 15.11 C ATOM 1237 CD2 PHE A 77 -6.690 -2.183 26.263 1.00 41.13 C ATOM 1238 CE1 PHE A 77 -7.402 -0.493 28.323 1.00 31.12 C ATOM 1239 CE2 PHE A 77 -7.274 -2.697 27.405 1.00 4.13 C ATOM 1240 CZ PHE A 77 -7.631 -1.851 28.436 1.00 10.45 C ATOM 0 H PHE A 77 -4.339 -2.151 25.472 1.00 61.22 H new ATOM 0 HA PHE A 77 -3.911 0.232 24.043 1.00 1.12 H new ATOM 0 HB2 PHE A 77 -6.265 0.702 24.670 1.00 23.33 H new ATOM 0 HB3 PHE A 77 -6.050 -0.925 24.054 1.00 23.33 H new ATOM 0 HD1 PHE A 77 -6.642 1.077 27.095 1.00 15.11 H new ATOM 0 HD2 PHE A 77 -6.413 -2.849 25.460 1.00 41.13 H new ATOM 0 HE1 PHE A 77 -7.679 0.171 29.129 1.00 31.12 H new ATOM 0 HE2 PHE A 77 -7.451 -3.759 27.491 1.00 4.13 H new ATOM 0 HZ PHE A 77 -8.088 -2.250 29.329 1.00 10.45 H new ATOM 1250 N ASN A 78 -3.943 2.201 25.653 1.00 63.31 N ATOM 1251 CA ASN A 78 -3.633 3.294 26.566 1.00 3.54 C ATOM 1252 C ASN A 78 -2.244 3.120 27.172 1.00 25.04 C ATOM 1253 O ASN A 78 -1.987 3.553 28.295 1.00 32.13 O ATOM 1254 CB ASN A 78 -4.681 3.370 27.679 1.00 42.25 C ATOM 1255 CG ASN A 78 -5.910 4.155 27.262 1.00 2.13 C ATOM 1256 OD1 ASN A 78 -7.029 3.643 27.297 1.00 24.44 O ATOM 1257 ND2 ASN A 78 -5.706 5.406 26.865 1.00 33.12 N ATOM 0 H ASN A 78 -4.136 2.494 24.695 1.00 63.31 H new ATOM 0 HA ASN A 78 -3.648 4.224 25.997 1.00 3.54 H new ATOM 0 HB2 ASN A 78 -4.977 2.361 27.965 1.00 42.25 H new ATOM 0 HB3 ASN A 78 -4.238 3.834 28.560 1.00 42.25 H new ATOM 0 HD21 ASN A 78 -6.495 5.983 26.573 1.00 33.12 H new ATOM 0 HD22 ASN A 78 -4.761 5.789 26.852 1.00 33.12 H new ATOM 1264 N GLU A 79 -1.351 2.483 26.420 1.00 13.41 N ATOM 1265 CA GLU A 79 0.012 2.252 26.884 1.00 73.12 C ATOM 1266 C GLU A 79 1.026 2.820 25.896 1.00 65.44 C ATOM 1267 O GLU A 79 1.975 2.141 25.504 1.00 32.21 O ATOM 1268 CB GLU A 79 0.259 0.755 27.082 1.00 2.14 C ATOM 1269 CG GLU A 79 -0.787 0.075 27.949 1.00 32.11 C ATOM 1270 CD GLU A 79 -0.247 -0.328 29.308 1.00 72.14 C ATOM 1271 OE1 GLU A 79 0.476 -1.343 29.382 1.00 44.02 O ATOM 1272 OE2 GLU A 79 -0.549 0.372 30.297 1.00 44.43 O ATOM 0 H GLU A 79 -1.547 2.118 25.488 1.00 13.41 H new ATOM 0 HA GLU A 79 0.136 2.763 27.839 1.00 73.12 H new ATOM 0 HB2 GLU A 79 0.284 0.267 26.107 1.00 2.14 H new ATOM 0 HB3 GLU A 79 1.241 0.614 27.534 1.00 2.14 H new ATOM 0 HG2 GLU A 79 -1.634 0.747 28.084 1.00 32.11 H new ATOM 0 HG3 GLU A 79 -1.161 -0.810 27.434 1.00 32.11 H new ATOM 1279 N GLY A 80 0.819 4.071 25.496 1.00 74.32 N ATOM 1280 CA GLY A 80 1.722 4.709 24.556 1.00 30.04 C ATOM 1281 C GLY A 80 1.050 5.040 23.239 1.00 75.12 C ATOM 1282 O GLY A 80 1.720 5.285 22.235 1.00 22.40 O ATOM 0 H GLY A 80 0.042 4.654 25.806 1.00 74.32 H new ATOM 0 HA2 GLY A 80 2.116 5.624 24.999 1.00 30.04 H new ATOM 0 HA3 GLY A 80 2.572 4.053 24.371 1.00 30.04 H new ATOM 1286 N LEU A 81 -0.279 5.046 23.240 1.00 41.22 N ATOM 1287 CA LEU A 81 -1.043 5.348 22.034 1.00 34.05 C ATOM 1288 C LEU A 81 -0.981 6.837 21.709 1.00 72.23 C ATOM 1289 O LEU A 81 -1.003 7.228 20.542 1.00 53.12 O ATOM 1290 CB LEU A 81 -2.500 4.913 22.208 1.00 25.31 C ATOM 1291 CG LEU A 81 -3.461 5.325 21.093 1.00 41.12 C ATOM 1292 CD1 LEU A 81 -3.652 4.185 20.104 1.00 10.43 C ATOM 1293 CD2 LEU A 81 -4.798 5.759 21.675 1.00 74.41 C ATOM 0 H LEU A 81 -0.849 4.845 24.062 1.00 41.22 H new ATOM 0 HA LEU A 81 -0.601 4.795 21.205 1.00 34.05 H new ATOM 0 HB2 LEU A 81 -2.526 3.827 22.300 1.00 25.31 H new ATOM 0 HB3 LEU A 81 -2.870 5.321 23.149 1.00 25.31 H new ATOM 0 HG LEU A 81 -3.028 6.171 20.560 1.00 41.12 H new ATOM 0 HD11 LEU A 81 -4.339 4.497 19.318 1.00 10.43 H new ATOM 0 HD12 LEU A 81 -2.691 3.921 19.663 1.00 10.43 H new ATOM 0 HD13 LEU A 81 -4.063 3.319 20.622 1.00 10.43 H new ATOM 0 HD21 LEU A 81 -5.470 6.049 20.867 1.00 74.41 H new ATOM 0 HD22 LEU A 81 -5.237 4.932 22.233 1.00 74.41 H new ATOM 0 HD23 LEU A 81 -4.646 6.607 22.342 1.00 74.41 H new ATOM 1305 N TRP A 82 -0.901 7.661 22.747 1.00 52.12 N ATOM 1306 CA TRP A 82 -0.833 9.107 22.571 1.00 53.44 C ATOM 1307 C TRP A 82 0.598 9.556 22.296 1.00 72.34 C ATOM 1308 O TRP A 82 0.832 10.685 21.868 1.00 54.35 O ATOM 1309 CB TRP A 82 -1.374 9.819 23.812 1.00 52.02 C ATOM 1310 CG TRP A 82 -1.133 11.298 23.801 1.00 54.34 C ATOM 1311 CD1 TRP A 82 -1.953 12.258 23.279 1.00 50.11 C ATOM 1312 CD2 TRP A 82 0.004 11.985 24.334 1.00 52.53 C ATOM 1313 NE1 TRP A 82 -1.394 13.501 23.456 1.00 63.34 N ATOM 1314 CE2 TRP A 82 -0.194 13.361 24.101 1.00 64.30 C ATOM 1315 CE3 TRP A 82 1.168 11.573 24.987 1.00 45.52 C ATOM 1316 CZ2 TRP A 82 0.731 14.323 24.498 1.00 64.24 C ATOM 1317 CZ3 TRP A 82 2.086 12.530 25.380 1.00 73.54 C ATOM 1318 CH2 TRP A 82 1.863 13.891 25.135 1.00 52.12 C ATOM 0 H TRP A 82 -0.882 7.353 23.719 1.00 52.12 H new ATOM 0 HA TRP A 82 -1.449 9.372 21.711 1.00 53.44 H new ATOM 0 HB2 TRP A 82 -2.445 9.633 23.890 1.00 52.02 H new ATOM 0 HB3 TRP A 82 -0.910 9.389 24.700 1.00 52.02 H new ATOM 0 HD1 TRP A 82 -2.901 12.068 22.798 1.00 50.11 H new ATOM 0 HE1 TRP A 82 -1.806 14.384 23.156 1.00 63.34 H new ATOM 0 HE3 TRP A 82 1.348 10.526 25.182 1.00 45.52 H new ATOM 0 HZ2 TRP A 82 0.561 15.373 24.310 1.00 64.24 H new ATOM 0 HZ3 TRP A 82 2.990 12.223 25.884 1.00 73.54 H new ATOM 0 HH2 TRP A 82 2.599 14.614 25.455 1.00 52.12 H new ATOM 1329 N GLU A 83 1.551 8.663 22.544 1.00 2.21 N ATOM 1330 CA GLU A 83 2.960 8.969 22.323 1.00 54.40 C ATOM 1331 C GLU A 83 3.338 8.764 20.859 1.00 53.11 C ATOM 1332 O GLU A 83 4.331 9.313 20.381 1.00 54.44 O ATOM 1333 CB GLU A 83 3.841 8.094 23.216 1.00 1.03 C ATOM 1334 CG GLU A 83 3.887 8.553 24.664 1.00 53.31 C ATOM 1335 CD GLU A 83 4.491 7.513 25.587 1.00 14.13 C ATOM 1336 OE1 GLU A 83 4.602 6.342 25.170 1.00 71.41 O ATOM 1337 OE2 GLU A 83 4.852 7.872 26.728 1.00 61.52 O ATOM 0 H GLU A 83 1.374 7.723 22.898 1.00 2.21 H new ATOM 0 HA GLU A 83 3.122 10.016 22.579 1.00 54.40 H new ATOM 0 HB2 GLU A 83 3.474 7.068 23.180 1.00 1.03 H new ATOM 0 HB3 GLU A 83 4.854 8.084 22.814 1.00 1.03 H new ATOM 0 HG2 GLU A 83 4.467 9.473 24.731 1.00 53.31 H new ATOM 0 HG3 GLU A 83 2.877 8.788 24.999 1.00 53.31 H new ATOM 1344 N ILE A 84 2.540 7.970 20.154 1.00 74.53 N ATOM 1345 CA ILE A 84 2.790 7.692 18.745 1.00 72.01 C ATOM 1346 C ILE A 84 2.729 8.969 17.914 1.00 72.03 C ATOM 1347 O ILE A 84 3.339 9.058 16.848 1.00 2.12 O ATOM 1348 CB ILE A 84 1.776 6.678 18.182 1.00 24.23 C ATOM 1349 CG1 ILE A 84 2.258 6.137 16.834 1.00 30.25 C ATOM 1350 CG2 ILE A 84 0.405 7.322 18.041 1.00 23.34 C ATOM 1351 CD1 ILE A 84 1.307 5.141 16.209 1.00 70.15 C ATOM 0 H ILE A 84 1.715 7.508 20.535 1.00 74.53 H new ATOM 0 HA ILE A 84 3.791 7.266 18.680 1.00 72.01 H new ATOM 0 HB ILE A 84 1.694 5.844 18.879 1.00 24.23 H new ATOM 0 HG12 ILE A 84 2.401 6.971 16.147 1.00 30.25 H new ATOM 0 HG13 ILE A 84 3.231 5.664 16.968 1.00 30.25 H new ATOM 0 HG21 ILE A 84 -0.300 6.593 17.642 1.00 23.34 H new ATOM 0 HG22 ILE A 84 0.061 7.663 19.017 1.00 23.34 H new ATOM 0 HG23 ILE A 84 0.471 8.172 17.362 1.00 23.34 H new ATOM 0 HD11 ILE A 84 1.712 4.800 15.256 1.00 70.15 H new ATOM 0 HD12 ILE A 84 1.182 4.289 16.877 1.00 70.15 H new ATOM 0 HD13 ILE A 84 0.340 5.616 16.043 1.00 70.15 H new ATOM 1363 N ASP A 85 1.990 9.956 18.409 1.00 60.31 N ATOM 1364 CA ASP A 85 1.851 11.230 17.714 1.00 43.14 C ATOM 1365 C ASP A 85 2.479 12.361 18.522 1.00 43.20 C ATOM 1366 O ASP A 85 2.367 13.532 18.161 1.00 72.21 O ATOM 1367 CB ASP A 85 0.376 11.533 17.450 1.00 54.53 C ATOM 1368 CG ASP A 85 0.174 12.412 16.231 1.00 62.24 C ATOM 1369 OD1 ASP A 85 0.711 12.068 15.157 1.00 3.10 O ATOM 1370 OD2 ASP A 85 -0.520 13.443 16.350 1.00 1.32 O ATOM 0 H ASP A 85 1.478 9.898 19.289 1.00 60.31 H new ATOM 0 HA ASP A 85 2.374 11.155 16.761 1.00 43.14 H new ATOM 0 HB2 ASP A 85 -0.165 10.597 17.313 1.00 54.53 H new ATOM 0 HB3 ASP A 85 -0.053 12.024 18.323 1.00 54.53 H new ATOM 1375 N ASN A 86 3.140 12.002 19.618 1.00 12.51 N ATOM 1376 CA ASN A 86 3.784 12.988 20.479 1.00 64.31 C ATOM 1377 C ASN A 86 5.226 12.588 20.778 1.00 0.13 C ATOM 1378 O ASN A 86 6.167 13.240 20.328 1.00 25.33 O ATOM 1379 CB ASN A 86 3.004 13.142 21.786 1.00 61.21 C ATOM 1380 CG ASN A 86 1.741 13.963 21.612 1.00 42.11 C ATOM 1381 OD1 ASN A 86 1.719 15.158 21.906 1.00 43.42 O ATOM 1382 ND2 ASN A 86 0.681 13.323 21.132 1.00 41.41 N ATOM 0 H ASN A 86 3.244 11.037 19.931 1.00 12.51 H new ATOM 0 HA ASN A 86 3.791 13.943 19.954 1.00 64.31 H new ATOM 0 HB2 ASN A 86 2.743 12.155 22.169 1.00 61.21 H new ATOM 0 HB3 ASN A 86 3.642 13.615 22.533 1.00 61.21 H new ATOM 0 HD21 ASN A 86 -0.197 13.823 20.994 1.00 41.41 H new ATOM 0 HD22 ASN A 86 0.745 12.331 20.902 1.00 41.41 H new ATOM 1389 N ASN A 87 5.390 11.512 21.541 1.00 71.12 N ATOM 1390 CA ASN A 87 6.717 11.025 21.901 1.00 74.14 C ATOM 1391 C ASN A 87 6.997 9.675 21.246 1.00 14.33 C ATOM 1392 O ASN A 87 6.965 8.627 21.891 1.00 61.44 O ATOM 1393 CB ASN A 87 6.843 10.903 23.421 1.00 43.45 C ATOM 1394 CG ASN A 87 8.277 10.688 23.866 1.00 52.11 C ATOM 1395 OD1 ASN A 87 9.081 10.100 23.143 1.00 45.21 O ATOM 1396 ND2 ASN A 87 8.602 11.164 25.062 1.00 45.31 N ATOM 0 H ASN A 87 4.621 10.961 21.922 1.00 71.12 H new ATOM 0 HA ASN A 87 7.452 11.744 21.539 1.00 74.14 H new ATOM 0 HB2 ASN A 87 6.452 11.806 23.889 1.00 43.45 H new ATOM 0 HB3 ASN A 87 6.229 10.072 23.768 1.00 43.45 H new ATOM 0 HD21 ASN A 87 9.552 11.049 25.416 1.00 45.31 H new ATOM 0 HD22 ASN A 87 7.902 11.645 25.627 1.00 45.31 H new ATOM 1403 N PRO A 88 7.278 9.701 19.935 1.00 20.51 N ATOM 1404 CA PRO A 88 7.570 8.488 19.165 1.00 44.12 C ATOM 1405 C PRO A 88 8.914 7.872 19.541 1.00 35.00 C ATOM 1406 O PRO A 88 9.247 6.770 19.104 1.00 4.42 O ATOM 1407 CB PRO A 88 7.597 8.985 17.717 1.00 12.33 C ATOM 1408 CG PRO A 88 7.946 10.430 17.819 1.00 25.23 C ATOM 1409 CD PRO A 88 7.333 10.915 19.104 1.00 60.33 C ATOM 0 HA PRO A 88 6.836 7.703 19.348 1.00 44.12 H new ATOM 0 HB2 PRO A 88 8.333 8.441 17.125 1.00 12.33 H new ATOM 0 HB3 PRO A 88 6.631 8.844 17.232 1.00 12.33 H new ATOM 0 HG2 PRO A 88 9.027 10.571 17.825 1.00 25.23 H new ATOM 0 HG3 PRO A 88 7.557 10.987 16.967 1.00 25.23 H new ATOM 0 HD2 PRO A 88 7.938 11.693 19.569 1.00 60.33 H new ATOM 0 HD3 PRO A 88 6.341 11.336 18.942 1.00 60.33 H new ATOM 1417 N LYS A 89 9.681 8.589 20.355 1.00 40.34 N ATOM 1418 CA LYS A 89 10.988 8.113 20.792 1.00 51.01 C ATOM 1419 C LYS A 89 10.962 7.733 22.269 1.00 61.11 C ATOM 1420 O LYS A 89 11.996 7.725 22.936 1.00 5.55 O ATOM 1421 CB LYS A 89 12.052 9.186 20.549 1.00 60.30 C ATOM 1422 CG LYS A 89 12.334 9.441 19.078 1.00 31.24 C ATOM 1423 CD LYS A 89 13.338 8.445 18.522 1.00 1.23 C ATOM 1424 CE LYS A 89 13.442 8.545 17.008 1.00 11.21 C ATOM 1425 NZ LYS A 89 14.769 8.087 16.512 1.00 70.23 N ATOM 0 H LYS A 89 9.420 9.503 20.726 1.00 40.34 H new ATOM 0 HA LYS A 89 11.237 7.225 20.211 1.00 51.01 H new ATOM 0 HB2 LYS A 89 11.730 10.117 21.015 1.00 60.30 H new ATOM 0 HB3 LYS A 89 12.977 8.886 21.041 1.00 60.30 H new ATOM 0 HG2 LYS A 89 11.405 9.377 18.512 1.00 31.24 H new ATOM 0 HG3 LYS A 89 12.716 10.454 18.950 1.00 31.24 H new ATOM 0 HD2 LYS A 89 14.316 8.626 18.968 1.00 1.23 H new ATOM 0 HD3 LYS A 89 13.042 7.434 18.801 1.00 1.23 H new ATOM 0 HE2 LYS A 89 12.656 7.945 16.550 1.00 11.21 H new ATOM 0 HE3 LYS A 89 13.276 9.577 16.700 1.00 11.21 H new ATOM 0 HZ1 LYS A 89 14.800 8.171 15.476 1.00 70.23 H new ATOM 0 HZ2 LYS A 89 15.518 8.676 16.930 1.00 70.23 H new ATOM 0 HZ3 LYS A 89 14.917 7.094 16.784 1.00 70.23 H new ATOM 1439 N VAL A 90 9.774 7.416 22.773 1.00 13.22 N ATOM 1440 CA VAL A 90 9.614 7.032 24.171 1.00 51.33 C ATOM 1441 C VAL A 90 10.498 5.840 24.518 1.00 63.14 C ATOM 1442 O VAL A 90 10.868 5.642 25.675 1.00 13.44 O ATOM 1443 CB VAL A 90 8.149 6.682 24.492 1.00 30.25 C ATOM 1444 CG1 VAL A 90 7.715 5.443 23.724 1.00 52.23 C ATOM 1445 CG2 VAL A 90 7.966 6.482 25.989 1.00 30.33 C ATOM 0 H VAL A 90 8.908 7.417 22.234 1.00 13.22 H new ATOM 0 HA VAL A 90 9.915 7.890 24.772 1.00 51.33 H new ATOM 0 HB VAL A 90 7.518 7.514 24.179 1.00 30.25 H new ATOM 0 HG11 VAL A 90 6.677 5.211 23.964 1.00 52.23 H new ATOM 0 HG12 VAL A 90 7.808 5.627 22.654 1.00 52.23 H new ATOM 0 HG13 VAL A 90 8.349 4.601 24.003 1.00 52.23 H new ATOM 0 HG21 VAL A 90 6.925 6.235 26.199 1.00 30.33 H new ATOM 0 HG22 VAL A 90 8.607 5.668 26.328 1.00 30.33 H new ATOM 0 HG23 VAL A 90 8.234 7.399 26.514 1.00 30.33 H new