USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 109 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.3!) USER MOD Set 1.2: A 110 TYR OH : rot 110:sc= 0.0208 USER MOD Set 2.1: A 50 ASN : amide:sc= -5.26 K(o=-5.3,f=-8.9!) USER MOD Set 2.2: A 52 THR OG1 : rot -45:sc= -0.0317 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 55 THR OG1 : rot 172:sc= 1.55 USER MOD Single : A 56 ASN : amide:sc= 0.416 K(o=0.42,f=-6.2!) USER MOD Single : A 58 HIS : +bothHN:sc= -2.93 K(o=-2.9,f=-11!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 71 THR OG1 : rot 42:sc= 0.145 USER MOD Single : A 72 THR OG1 : rot 43:sc= 0.392 USER MOD Single : A 75 SER OG : rot 180:sc= -0.402 USER MOD Single : A 78 MET CE :methyl -112:sc= -0.832 (180deg=-2.36) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0637) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.115) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 98 THR OG1 : rot -90:sc= -2.48! USER MOD Single : A 104 THR OG1 : rot 130:sc= -0.751 USER MOD Single : A 105 ASN : amide:sc= -0.697 K(o=-0.7,f=-5.3!) USER MOD Single : A 108 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.3) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -15:sc= 0.506 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 97.919 27.693 3.424 1.00 7.08 N ATOM 2 CA GLY A 28 99.146 27.068 2.853 1.00 6.88 C ATOM 3 C GLY A 28 98.747 25.999 1.822 1.00 6.13 C ATOM 4 O GLY A 28 97.717 26.134 1.189 1.00 5.88 O ATOM 0 HA2 GLY A 28 99.768 27.829 2.381 1.00 6.88 H new ATOM 0 HA3 GLY A 28 99.741 26.618 3.648 1.00 6.88 H new ATOM 10 N PRO A 29 99.564 24.961 1.675 1.00 5.91 N ATOM 11 CA PRO A 29 99.255 23.865 0.697 1.00 5.29 C ATOM 12 C PRO A 29 97.900 23.208 1.002 1.00 4.62 C ATOM 13 O PRO A 29 97.715 22.625 2.056 1.00 4.47 O ATOM 14 CB PRO A 29 100.397 22.871 0.920 1.00 5.47 C ATOM 15 CG PRO A 29 101.505 23.715 1.445 1.00 6.24 C ATOM 16 CD PRO A 29 100.844 24.693 2.367 1.00 6.37 C ATOM 0 HA PRO A 29 99.183 24.223 -0.330 1.00 5.29 H new ATOM 0 HB2 PRO A 29 100.117 22.092 1.629 1.00 5.47 H new ATOM 0 HB3 PRO A 29 100.679 22.371 -0.007 1.00 5.47 H new ATOM 0 HG2 PRO A 29 102.244 23.112 1.973 1.00 6.24 H new ATOM 0 HG3 PRO A 29 102.029 24.226 0.637 1.00 6.24 H new ATOM 0 HD2 PRO A 29 100.689 24.274 3.361 1.00 6.37 H new ATOM 0 HD3 PRO A 29 101.437 25.599 2.492 1.00 6.37 H new ATOM 24 N GLU A 30 96.968 23.301 0.080 1.00 4.32 N ATOM 25 CA GLU A 30 95.594 22.755 0.308 1.00 3.82 C ATOM 26 C GLU A 30 94.937 22.436 -1.043 1.00 3.19 C ATOM 27 O GLU A 30 94.131 23.200 -1.550 1.00 3.01 O ATOM 28 CB GLU A 30 94.828 23.857 1.050 1.00 4.37 C ATOM 29 CG GLU A 30 95.262 23.898 2.517 1.00 5.03 C ATOM 30 CD GLU A 30 94.270 24.741 3.322 1.00 5.37 C ATOM 31 OE1 GLU A 30 93.907 25.806 2.851 1.00 5.58 O ATOM 32 OE2 GLU A 30 93.890 24.306 4.397 1.00 5.74 O ATOM 0 H GLU A 30 97.106 23.738 -0.831 1.00 4.32 H new ATOM 0 HA GLU A 30 95.603 21.831 0.886 1.00 3.82 H new ATOM 0 HB2 GLU A 30 95.016 24.822 0.579 1.00 4.37 H new ATOM 0 HB3 GLU A 30 93.756 23.674 0.984 1.00 4.37 H new ATOM 0 HG2 GLU A 30 95.308 22.887 2.922 1.00 5.03 H new ATOM 0 HG3 GLU A 30 96.264 24.320 2.599 1.00 5.03 H new ATOM 39 N ASP A 31 95.285 21.308 -1.623 1.00 2.96 N ATOM 40 CA ASP A 31 94.656 20.888 -2.918 1.00 2.54 C ATOM 41 C ASP A 31 93.265 20.298 -2.655 1.00 1.94 C ATOM 42 O ASP A 31 93.113 19.101 -2.475 1.00 1.82 O ATOM 43 CB ASP A 31 95.596 19.834 -3.516 1.00 2.86 C ATOM 44 CG ASP A 31 95.155 19.505 -4.944 1.00 2.50 C ATOM 45 OD1 ASP A 31 95.539 20.234 -5.844 1.00 2.29 O ATOM 46 OD2 ASP A 31 94.441 18.531 -5.113 1.00 3.15 O ATOM 0 H ASP A 31 95.980 20.659 -1.253 1.00 2.96 H new ATOM 0 HA ASP A 31 94.523 21.727 -3.601 1.00 2.54 H new ATOM 0 HB2 ASP A 31 96.621 20.205 -3.517 1.00 2.86 H new ATOM 0 HB3 ASP A 31 95.584 18.932 -2.904 1.00 2.86 H new ATOM 51 N THR A 32 92.255 21.141 -2.630 1.00 1.77 N ATOM 52 CA THR A 32 90.857 20.661 -2.400 1.00 1.47 C ATOM 53 C THR A 32 90.092 20.606 -3.726 1.00 1.31 C ATOM 54 O THR A 32 89.579 21.607 -4.193 1.00 1.68 O ATOM 55 CB THR A 32 90.234 21.696 -1.462 1.00 1.98 C ATOM 56 OG1 THR A 32 91.100 21.914 -0.357 1.00 2.16 O ATOM 57 CG2 THR A 32 88.883 21.184 -0.959 1.00 2.20 C ATOM 0 H THR A 32 92.344 22.149 -2.761 1.00 1.77 H new ATOM 0 HA THR A 32 90.828 19.657 -1.976 1.00 1.47 H new ATOM 0 HB THR A 32 90.088 22.632 -2.000 1.00 1.98 H new ATOM 0 HG1 THR A 32 90.703 22.578 0.244 1.00 2.16 H new ATOM 0 HG21 THR A 32 88.440 21.922 -0.291 1.00 2.20 H new ATOM 0 HG22 THR A 32 88.219 21.017 -1.807 1.00 2.20 H new ATOM 0 HG23 THR A 32 89.026 20.247 -0.421 1.00 2.20 H new ATOM 65 N LEU A 33 90.019 19.439 -4.327 1.00 0.84 N ATOM 66 CA LEU A 33 89.266 19.272 -5.610 1.00 0.70 C ATOM 67 C LEU A 33 88.548 17.907 -5.610 1.00 0.54 C ATOM 68 O LEU A 33 89.214 16.893 -5.532 1.00 0.73 O ATOM 69 CB LEU A 33 90.325 19.310 -6.718 1.00 0.78 C ATOM 70 CG LEU A 33 90.845 20.738 -6.910 1.00 0.94 C ATOM 71 CD1 LEU A 33 92.049 20.715 -7.854 1.00 1.15 C ATOM 72 CD2 LEU A 33 89.745 21.614 -7.516 1.00 0.99 C ATOM 0 H LEU A 33 90.455 18.586 -3.977 1.00 0.84 H new ATOM 0 HA LEU A 33 88.512 20.047 -5.749 1.00 0.70 H new ATOM 0 HB2 LEU A 33 91.151 18.646 -6.463 1.00 0.78 H new ATOM 0 HB3 LEU A 33 89.898 18.943 -7.651 1.00 0.78 H new ATOM 0 HG LEU A 33 91.140 21.147 -5.944 1.00 0.94 H new ATOM 0 HD11 LEU A 33 92.422 21.730 -7.993 1.00 1.15 H new ATOM 0 HD12 LEU A 33 92.836 20.095 -7.425 1.00 1.15 H new ATOM 0 HD13 LEU A 33 91.748 20.304 -8.818 1.00 1.15 H new ATOM 0 HD21 LEU A 33 90.120 22.628 -7.650 1.00 0.99 H new ATOM 0 HD22 LEU A 33 89.446 21.207 -8.482 1.00 0.99 H new ATOM 0 HD23 LEU A 33 88.884 21.631 -6.848 1.00 0.99 H new ATOM 84 N PRO A 34 87.219 17.897 -5.696 1.00 0.30 N ATOM 85 CA PRO A 34 86.453 16.604 -5.661 1.00 0.23 C ATOM 86 C PRO A 34 86.883 15.669 -6.803 1.00 0.22 C ATOM 87 O PRO A 34 87.226 16.124 -7.880 1.00 0.27 O ATOM 88 CB PRO A 34 85.002 17.056 -5.850 1.00 0.40 C ATOM 89 CG PRO A 34 84.998 18.457 -5.348 1.00 0.37 C ATOM 90 CD PRO A 34 86.291 19.042 -5.824 1.00 0.36 C ATOM 0 HA PRO A 34 86.616 16.039 -4.743 1.00 0.23 H new ATOM 0 HB2 PRO A 34 84.700 17.005 -6.896 1.00 0.40 H new ATOM 0 HB3 PRO A 34 84.311 16.428 -5.288 1.00 0.40 H new ATOM 0 HG2 PRO A 34 84.146 19.014 -5.738 1.00 0.37 H new ATOM 0 HG3 PRO A 34 84.928 18.487 -4.261 1.00 0.37 H new ATOM 0 HD2 PRO A 34 86.223 19.398 -6.852 1.00 0.36 H new ATOM 0 HD3 PRO A 34 86.603 19.889 -5.214 1.00 0.36 H new ATOM 98 N PHE A 35 86.863 14.374 -6.565 1.00 0.20 N ATOM 99 CA PHE A 35 87.305 13.396 -7.610 1.00 0.22 C ATOM 100 C PHE A 35 86.604 12.040 -7.417 1.00 0.20 C ATOM 101 O PHE A 35 87.237 10.997 -7.411 1.00 0.21 O ATOM 102 CB PHE A 35 88.826 13.279 -7.423 1.00 0.28 C ATOM 103 CG PHE A 35 89.249 12.745 -6.070 1.00 0.35 C ATOM 104 CD1 PHE A 35 89.316 13.621 -4.942 1.00 0.52 C ATOM 105 CD2 PHE A 35 89.586 11.364 -5.921 1.00 0.34 C ATOM 106 CE1 PHE A 35 89.718 13.116 -3.667 1.00 0.64 C ATOM 107 CE2 PHE A 35 89.987 10.858 -4.646 1.00 0.45 C ATOM 108 CZ PHE A 35 90.053 11.734 -3.519 1.00 0.60 C ATOM 0 H PHE A 35 86.558 13.954 -5.687 1.00 0.20 H new ATOM 0 HA PHE A 35 87.050 13.721 -8.619 1.00 0.22 H new ATOM 0 HB2 PHE A 35 89.227 12.627 -8.199 1.00 0.28 H new ATOM 0 HB3 PHE A 35 89.275 14.261 -7.569 1.00 0.28 H new ATOM 0 HD1 PHE A 35 89.063 14.665 -5.054 1.00 0.52 H new ATOM 0 HD2 PHE A 35 89.538 10.702 -6.773 1.00 0.34 H new ATOM 0 HE1 PHE A 35 89.769 13.778 -2.815 1.00 0.64 H new ATOM 0 HE2 PHE A 35 90.240 9.814 -4.534 1.00 0.45 H new ATOM 0 HZ PHE A 35 90.356 11.352 -2.555 1.00 0.60 H new ATOM 118 N LEU A 36 85.298 12.059 -7.266 1.00 0.18 N ATOM 119 CA LEU A 36 84.536 10.802 -6.994 1.00 0.17 C ATOM 120 C LEU A 36 83.062 10.973 -7.372 1.00 0.16 C ATOM 121 O LEU A 36 82.296 11.574 -6.638 1.00 0.16 O ATOM 122 CB LEU A 36 84.688 10.572 -5.490 1.00 0.16 C ATOM 123 CG LEU A 36 84.183 9.174 -5.117 1.00 0.16 C ATOM 124 CD1 LEU A 36 85.131 8.111 -5.683 1.00 0.19 C ATOM 125 CD2 LEU A 36 84.133 9.049 -3.593 1.00 0.15 C ATOM 0 H LEU A 36 84.726 12.901 -7.321 1.00 0.18 H new ATOM 0 HA LEU A 36 84.907 9.959 -7.577 1.00 0.17 H new ATOM 0 HB2 LEU A 36 85.734 10.678 -5.202 1.00 0.16 H new ATOM 0 HB3 LEU A 36 84.128 11.328 -4.940 1.00 0.16 H new ATOM 0 HG LEU A 36 83.187 9.025 -5.534 1.00 0.16 H new ATOM 0 HD11 LEU A 36 84.767 7.119 -5.415 1.00 0.19 H new ATOM 0 HD12 LEU A 36 85.172 8.201 -6.768 1.00 0.19 H new ATOM 0 HD13 LEU A 36 86.129 8.256 -5.269 1.00 0.19 H new ATOM 0 HD21 LEU A 36 83.774 8.056 -3.321 1.00 0.15 H new ATOM 0 HD22 LEU A 36 85.132 9.199 -3.183 1.00 0.15 H new ATOM 0 HD23 LEU A 36 83.457 9.802 -3.188 1.00 0.15 H new ATOM 137 N LYS A 37 82.677 10.450 -8.514 1.00 0.19 N ATOM 138 CA LYS A 37 81.245 10.500 -8.946 1.00 0.20 C ATOM 139 C LYS A 37 80.560 9.159 -8.661 1.00 0.24 C ATOM 140 O LYS A 37 80.953 8.135 -9.192 1.00 0.31 O ATOM 141 CB LYS A 37 81.298 10.759 -10.453 1.00 0.22 C ATOM 142 CG LYS A 37 79.893 11.083 -10.965 1.00 0.24 C ATOM 143 CD LYS A 37 79.934 11.278 -12.482 1.00 0.53 C ATOM 144 CE LYS A 37 78.563 11.746 -12.974 1.00 1.28 C ATOM 145 NZ LYS A 37 78.741 11.987 -14.433 1.00 1.51 N ATOM 0 H LYS A 37 83.303 9.985 -9.172 1.00 0.19 H new ATOM 0 HA LYS A 37 80.680 11.267 -8.416 1.00 0.20 H new ATOM 0 HB2 LYS A 37 81.974 11.587 -10.667 1.00 0.22 H new ATOM 0 HB3 LYS A 37 81.692 9.884 -10.970 1.00 0.22 H new ATOM 0 HG2 LYS A 37 79.207 10.276 -10.710 1.00 0.24 H new ATOM 0 HG3 LYS A 37 79.518 11.985 -10.482 1.00 0.24 H new ATOM 0 HD2 LYS A 37 80.696 12.012 -12.744 1.00 0.53 H new ATOM 0 HD3 LYS A 37 80.209 10.344 -12.972 1.00 0.53 H new ATOM 0 HE2 LYS A 37 77.798 10.992 -12.789 1.00 1.28 H new ATOM 0 HE3 LYS A 37 78.247 12.653 -12.459 1.00 1.28 H new ATOM 0 HZ1 LYS A 37 77.842 12.311 -14.843 1.00 1.51 H new ATOM 0 HZ2 LYS A 37 79.470 12.714 -14.578 1.00 1.51 H new ATOM 0 HZ3 LYS A 37 79.035 11.104 -14.897 1.00 1.51 H new ATOM 159 N CYS A 38 79.548 9.165 -7.821 1.00 0.21 N ATOM 160 CA CYS A 38 78.846 7.895 -7.449 1.00 0.26 C ATOM 161 C CYS A 38 77.357 7.972 -7.794 1.00 0.21 C ATOM 162 O CYS A 38 76.732 9.001 -7.614 1.00 0.15 O ATOM 163 CB CYS A 38 79.050 7.763 -5.944 1.00 0.32 C ATOM 164 SG CYS A 38 80.776 7.326 -5.626 1.00 0.48 S ATOM 0 H CYS A 38 79.177 10.004 -7.375 1.00 0.21 H new ATOM 0 HA CYS A 38 79.238 7.036 -7.993 1.00 0.26 H new ATOM 0 HB2 CYS A 38 78.800 8.700 -5.446 1.00 0.32 H new ATOM 0 HB3 CYS A 38 78.386 6.999 -5.539 1.00 0.32 H new ATOM 169 N TYR A 39 76.796 6.890 -8.287 1.00 0.26 N ATOM 170 CA TYR A 39 75.339 6.877 -8.647 1.00 0.26 C ATOM 171 C TYR A 39 74.488 6.716 -7.384 1.00 0.25 C ATOM 172 O TYR A 39 74.919 6.110 -6.418 1.00 0.29 O ATOM 173 CB TYR A 39 75.149 5.675 -9.578 1.00 0.35 C ATOM 174 CG TYR A 39 73.749 5.556 -10.133 1.00 0.37 C ATOM 175 CD1 TYR A 39 73.410 6.199 -11.363 1.00 0.39 C ATOM 176 CD2 TYR A 39 72.763 4.800 -9.426 1.00 0.40 C ATOM 177 CE1 TYR A 39 72.086 6.086 -11.888 1.00 0.44 C ATOM 178 CE2 TYR A 39 71.438 4.687 -9.951 1.00 0.43 C ATOM 179 CZ TYR A 39 71.099 5.330 -11.181 1.00 0.45 C ATOM 180 OH TYR A 39 69.820 5.221 -11.688 1.00 0.51 O ATOM 0 H TYR A 39 77.287 6.012 -8.456 1.00 0.26 H new ATOM 0 HA TYR A 39 75.032 7.805 -9.129 1.00 0.26 H new ATOM 0 HB2 TYR A 39 75.854 5.752 -10.406 1.00 0.35 H new ATOM 0 HB3 TYR A 39 75.394 4.763 -9.035 1.00 0.35 H new ATOM 0 HD1 TYR A 39 74.155 6.771 -11.896 1.00 0.39 H new ATOM 0 HD2 TYR A 39 73.019 4.314 -8.496 1.00 0.40 H new ATOM 0 HE1 TYR A 39 71.831 6.571 -12.818 1.00 0.44 H new ATOM 0 HE2 TYR A 39 70.693 4.115 -9.418 1.00 0.43 H new ATOM 0 HH TYR A 39 69.275 4.673 -11.086 1.00 0.51 H new ATOM 190 N CYS A 40 73.288 7.253 -7.392 1.00 0.23 N ATOM 191 CA CYS A 40 72.403 7.187 -6.182 1.00 0.25 C ATOM 192 C CYS A 40 71.107 6.429 -6.503 1.00 0.29 C ATOM 193 O CYS A 40 70.546 6.579 -7.575 1.00 0.30 O ATOM 194 CB CYS A 40 72.118 8.650 -5.781 1.00 0.22 C ATOM 195 SG CYS A 40 71.293 9.572 -7.115 1.00 0.19 S ATOM 0 H CYS A 40 72.881 7.738 -8.192 1.00 0.23 H new ATOM 0 HA CYS A 40 72.879 6.647 -5.363 1.00 0.25 H new ATOM 0 HB2 CYS A 40 71.493 8.666 -4.888 1.00 0.22 H new ATOM 0 HB3 CYS A 40 73.055 9.145 -5.523 1.00 0.22 H new ATOM 200 N SER A 41 70.639 5.621 -5.577 1.00 0.36 N ATOM 201 CA SER A 41 69.370 4.857 -5.788 1.00 0.43 C ATOM 202 C SER A 41 68.370 5.178 -4.675 1.00 0.53 C ATOM 203 O SER A 41 68.749 5.354 -3.530 1.00 0.85 O ATOM 204 CB SER A 41 69.782 3.386 -5.731 1.00 0.76 C ATOM 205 OG SER A 41 68.657 2.571 -6.031 1.00 1.69 O ATOM 0 H SER A 41 71.089 5.459 -4.676 1.00 0.36 H new ATOM 0 HA SER A 41 68.886 5.109 -6.732 1.00 0.43 H new ATOM 0 HB2 SER A 41 70.585 3.194 -6.443 1.00 0.76 H new ATOM 0 HB3 SER A 41 70.168 3.143 -4.741 1.00 0.76 H new ATOM 0 HG SER A 41 68.918 1.627 -5.997 1.00 1.69 H new ATOM 211 N GLY A 42 67.101 5.253 -5.010 1.00 0.47 N ATOM 212 CA GLY A 42 66.047 5.513 -3.982 1.00 0.77 C ATOM 213 C GLY A 42 66.104 6.979 -3.545 1.00 0.68 C ATOM 214 O GLY A 42 65.216 7.755 -3.855 1.00 0.73 O ATOM 0 H GLY A 42 66.751 5.144 -5.962 1.00 0.47 H new ATOM 0 HA2 GLY A 42 65.063 5.283 -4.390 1.00 0.77 H new ATOM 0 HA3 GLY A 42 66.196 4.861 -3.121 1.00 0.77 H new ATOM 218 N HIS A 43 67.142 7.355 -2.831 1.00 0.63 N ATOM 219 CA HIS A 43 67.243 8.747 -2.291 1.00 0.63 C ATOM 220 C HIS A 43 68.431 9.483 -2.920 1.00 0.51 C ATOM 221 O HIS A 43 69.557 9.022 -2.851 1.00 0.48 O ATOM 222 CB HIS A 43 67.458 8.572 -0.788 1.00 0.77 C ATOM 223 CG HIS A 43 66.287 7.943 -0.083 1.00 1.24 C ATOM 224 ND1 HIS A 43 65.022 8.509 -0.103 1.00 1.92 N ATOM 225 CD2 HIS A 43 66.173 6.797 0.665 1.00 2.14 C ATOM 226 CE1 HIS A 43 64.209 7.712 0.612 1.00 2.61 C ATOM 227 NE2 HIS A 43 64.859 6.653 1.103 1.00 2.82 N ATOM 0 H HIS A 43 67.929 6.749 -2.599 1.00 0.63 H new ATOM 0 HA HIS A 43 66.355 9.338 -2.513 1.00 0.63 H new ATOM 0 HB2 HIS A 43 68.343 7.957 -0.625 1.00 0.77 H new ATOM 0 HB3 HIS A 43 67.660 9.546 -0.342 1.00 0.77 H new ATOM 0 HD2 HIS A 43 66.979 6.112 0.881 1.00 2.14 H new ATOM 0 HE1 HIS A 43 63.158 7.904 0.770 1.00 2.61 H new ATOM 0 HE2 HIS A 43 64.475 5.901 1.675 1.00 2.82 H new ATOM 235 N CYS A 44 68.176 10.619 -3.529 1.00 0.46 N ATOM 236 CA CYS A 44 69.279 11.464 -4.085 1.00 0.37 C ATOM 237 C CYS A 44 68.996 12.946 -3.771 1.00 0.41 C ATOM 238 O CYS A 44 67.841 13.329 -3.721 1.00 0.48 O ATOM 239 CB CYS A 44 69.241 11.208 -5.599 1.00 0.30 C ATOM 240 SG CYS A 44 70.901 11.381 -6.303 1.00 0.21 S ATOM 0 H CYS A 44 67.239 10.999 -3.665 1.00 0.46 H new ATOM 0 HA CYS A 44 70.255 11.226 -3.661 1.00 0.37 H new ATOM 0 HB2 CYS A 44 68.856 10.207 -5.797 1.00 0.30 H new ATOM 0 HB3 CYS A 44 68.560 11.912 -6.077 1.00 0.30 H new ATOM 245 N PRO A 45 70.039 13.747 -3.566 1.00 0.38 N ATOM 246 CA PRO A 45 69.831 15.159 -3.130 1.00 0.42 C ATOM 247 C PRO A 45 69.083 15.959 -4.206 1.00 0.42 C ATOM 248 O PRO A 45 69.186 15.668 -5.385 1.00 0.38 O ATOM 249 CB PRO A 45 71.246 15.718 -2.921 1.00 0.39 C ATOM 250 CG PRO A 45 72.167 14.543 -2.962 1.00 0.33 C ATOM 251 CD PRO A 45 71.474 13.442 -3.714 1.00 0.33 C ATOM 0 HA PRO A 45 69.226 15.223 -2.226 1.00 0.42 H new ATOM 0 HB2 PRO A 45 71.499 16.439 -3.699 1.00 0.39 H new ATOM 0 HB3 PRO A 45 71.322 16.239 -1.967 1.00 0.39 H new ATOM 0 HG2 PRO A 45 73.104 14.809 -3.452 1.00 0.33 H new ATOM 0 HG3 PRO A 45 72.416 14.218 -1.952 1.00 0.33 H new ATOM 0 HD2 PRO A 45 71.772 13.428 -4.762 1.00 0.33 H new ATOM 0 HD3 PRO A 45 71.717 12.463 -3.300 1.00 0.33 H new ATOM 259 N ASP A 46 68.342 16.968 -3.799 1.00 0.48 N ATOM 260 CA ASP A 46 67.614 17.843 -4.786 1.00 0.51 C ATOM 261 C ASP A 46 68.587 18.513 -5.771 1.00 0.48 C ATOM 262 O ASP A 46 68.187 18.917 -6.850 1.00 0.50 O ATOM 263 CB ASP A 46 66.898 18.911 -3.950 1.00 0.58 C ATOM 264 CG ASP A 46 65.817 18.250 -3.091 1.00 1.20 C ATOM 265 OD1 ASP A 46 65.094 17.420 -3.616 1.00 2.03 O ATOM 266 OD2 ASP A 46 65.731 18.587 -1.921 1.00 1.88 O ATOM 0 H ASP A 46 68.209 17.225 -2.821 1.00 0.48 H new ATOM 0 HA ASP A 46 66.920 17.253 -5.385 1.00 0.51 H new ATOM 0 HB2 ASP A 46 67.615 19.431 -3.314 1.00 0.58 H new ATOM 0 HB3 ASP A 46 66.450 19.660 -4.604 1.00 0.58 H new ATOM 271 N ASP A 47 69.850 18.631 -5.410 1.00 0.46 N ATOM 272 CA ASP A 47 70.839 19.325 -6.299 1.00 0.45 C ATOM 273 C ASP A 47 71.635 18.326 -7.162 1.00 0.39 C ATOM 274 O ASP A 47 72.643 18.690 -7.742 1.00 0.38 O ATOM 275 CB ASP A 47 71.765 20.107 -5.349 1.00 0.47 C ATOM 276 CG ASP A 47 72.517 19.163 -4.398 1.00 0.42 C ATOM 277 OD1 ASP A 47 71.996 18.892 -3.329 1.00 1.14 O ATOM 278 OD2 ASP A 47 73.600 18.731 -4.759 1.00 1.02 O ATOM 0 H ASP A 47 70.236 18.275 -4.536 1.00 0.46 H new ATOM 0 HA ASP A 47 70.338 19.984 -7.009 1.00 0.45 H new ATOM 0 HB2 ASP A 47 72.482 20.686 -5.932 1.00 0.47 H new ATOM 0 HB3 ASP A 47 71.177 20.818 -4.769 1.00 0.47 H new ATOM 283 N ALA A 48 71.196 17.085 -7.251 1.00 0.35 N ATOM 284 CA ALA A 48 72.003 16.039 -7.961 1.00 0.29 C ATOM 285 C ALA A 48 71.750 16.100 -9.468 1.00 0.28 C ATOM 286 O ALA A 48 70.771 16.672 -9.915 1.00 0.31 O ATOM 287 CB ALA A 48 71.539 14.693 -7.397 1.00 0.26 C ATOM 0 H ALA A 48 70.313 16.755 -6.861 1.00 0.35 H new ATOM 0 HA ALA A 48 73.072 16.189 -7.808 1.00 0.29 H new ATOM 0 HB1 ALA A 48 72.093 13.887 -7.878 1.00 0.26 H new ATOM 0 HB2 ALA A 48 71.719 14.667 -6.322 1.00 0.26 H new ATOM 0 HB3 ALA A 48 70.474 14.566 -7.589 1.00 0.26 H new ATOM 293 N ILE A 49 72.632 15.511 -10.245 1.00 0.26 N ATOM 294 CA ILE A 49 72.489 15.541 -11.737 1.00 0.29 C ATOM 295 C ILE A 49 72.519 14.103 -12.267 1.00 0.25 C ATOM 296 O ILE A 49 73.249 13.280 -11.757 1.00 0.22 O ATOM 297 CB ILE A 49 73.691 16.357 -12.258 1.00 0.34 C ATOM 298 CG1 ILE A 49 73.659 17.778 -11.676 1.00 0.39 C ATOM 299 CG2 ILE A 49 73.638 16.458 -13.789 1.00 0.40 C ATOM 300 CD1 ILE A 49 75.009 18.460 -11.910 1.00 0.45 C ATOM 0 H ILE A 49 73.451 15.007 -9.905 1.00 0.26 H new ATOM 0 HA ILE A 49 71.552 15.991 -12.064 1.00 0.29 H new ATOM 0 HB ILE A 49 74.606 15.850 -11.950 1.00 0.34 H new ATOM 0 HG12 ILE A 49 72.862 18.356 -12.145 1.00 0.39 H new ATOM 0 HG13 ILE A 49 73.440 17.740 -10.609 1.00 0.39 H new ATOM 0 HG21 ILE A 49 74.491 17.036 -14.145 1.00 0.40 H new ATOM 0 HG22 ILE A 49 73.671 15.458 -14.221 1.00 0.40 H new ATOM 0 HG23 ILE A 49 72.714 16.952 -14.089 1.00 0.40 H new ATOM 0 HD11 ILE A 49 74.984 19.468 -11.496 1.00 0.45 H new ATOM 0 HD12 ILE A 49 75.796 17.886 -11.421 1.00 0.45 H new ATOM 0 HD13 ILE A 49 75.210 18.512 -12.980 1.00 0.45 H new ATOM 312 N ASN A 50 71.719 13.810 -13.278 1.00 0.27 N ATOM 313 CA ASN A 50 71.608 12.423 -13.874 1.00 0.27 C ATOM 314 C ASN A 50 71.667 11.298 -12.817 1.00 0.21 C ATOM 315 O ASN A 50 72.303 10.279 -13.016 1.00 0.23 O ATOM 316 CB ASN A 50 72.750 12.308 -14.903 1.00 0.33 C ATOM 317 CG ASN A 50 74.126 12.383 -14.232 1.00 0.32 C ATOM 318 OD1 ASN A 50 74.641 13.457 -13.992 1.00 1.11 O ATOM 319 ND2 ASN A 50 74.746 11.278 -13.920 1.00 1.08 N ATOM 0 H ASN A 50 71.118 14.499 -13.730 1.00 0.27 H new ATOM 0 HA ASN A 50 70.633 12.293 -14.344 1.00 0.27 H new ATOM 0 HB2 ASN A 50 72.659 11.366 -15.444 1.00 0.33 H new ATOM 0 HB3 ASN A 50 72.659 13.107 -15.638 1.00 0.33 H new ATOM 0 HD21 ASN A 50 75.663 11.316 -13.475 1.00 1.08 H new ATOM 0 HD22 ASN A 50 74.314 10.376 -14.121 1.00 1.08 H new ATOM 326 N ASN A 51 70.998 11.493 -11.695 1.00 0.17 N ATOM 327 CA ASN A 51 70.989 10.483 -10.575 1.00 0.15 C ATOM 328 C ASN A 51 72.418 10.128 -10.124 1.00 0.13 C ATOM 329 O ASN A 51 72.725 8.977 -9.860 1.00 0.16 O ATOM 330 CB ASN A 51 70.258 9.245 -11.122 1.00 0.20 C ATOM 331 CG ASN A 51 68.799 9.599 -11.419 1.00 0.86 C ATOM 332 OD1 ASN A 51 68.182 10.350 -10.689 1.00 1.65 O ATOM 333 ND2 ASN A 51 68.217 9.087 -12.469 1.00 1.61 N ATOM 0 H ASN A 51 70.446 12.329 -11.506 1.00 0.17 H new ATOM 0 HA ASN A 51 70.487 10.883 -9.694 1.00 0.15 H new ATOM 0 HB2 ASN A 51 70.749 8.892 -12.029 1.00 0.20 H new ATOM 0 HB3 ASN A 51 70.305 8.433 -10.397 1.00 0.20 H new ATOM 0 HD21 ASN A 51 67.245 9.317 -12.676 1.00 1.61 H new ATOM 0 HD22 ASN A 51 68.734 8.457 -13.082 1.00 1.61 H new ATOM 340 N THR A 52 73.283 11.115 -10.037 1.00 0.13 N ATOM 341 CA THR A 52 74.652 10.888 -9.472 1.00 0.15 C ATOM 342 C THR A 52 75.044 12.042 -8.544 1.00 0.16 C ATOM 343 O THR A 52 74.482 13.123 -8.620 1.00 0.18 O ATOM 344 CB THR A 52 75.594 10.837 -10.679 1.00 0.18 C ATOM 345 OG1 THR A 52 75.430 12.011 -11.459 1.00 0.22 O ATOM 346 CG2 THR A 52 75.280 9.605 -11.530 1.00 0.19 C ATOM 0 H THR A 52 73.096 12.072 -10.335 1.00 0.13 H new ATOM 0 HA THR A 52 74.697 9.971 -8.884 1.00 0.15 H new ATOM 0 HB THR A 52 76.624 10.776 -10.329 1.00 0.18 H new ATOM 0 HG1 THR A 52 74.475 12.198 -11.572 1.00 0.22 H new ATOM 0 HG21 THR A 52 75.953 9.574 -12.387 1.00 0.19 H new ATOM 0 HG22 THR A 52 75.414 8.705 -10.930 1.00 0.19 H new ATOM 0 HG23 THR A 52 74.249 9.658 -11.880 1.00 0.19 H new ATOM 354 N CYS A 53 76.009 11.811 -7.681 1.00 0.19 N ATOM 355 CA CYS A 53 76.471 12.873 -6.732 1.00 0.19 C ATOM 356 C CYS A 53 78.003 12.908 -6.671 1.00 0.17 C ATOM 357 O CYS A 53 78.667 11.965 -7.061 1.00 0.18 O ATOM 358 CB CYS A 53 75.857 12.527 -5.360 1.00 0.21 C ATOM 359 SG CYS A 53 76.362 10.876 -4.788 1.00 0.21 S ATOM 0 H CYS A 53 76.500 10.921 -7.595 1.00 0.19 H new ATOM 0 HA CYS A 53 76.153 13.865 -7.054 1.00 0.19 H new ATOM 0 HB2 CYS A 53 76.162 13.274 -4.627 1.00 0.21 H new ATOM 0 HB3 CYS A 53 74.770 12.571 -5.427 1.00 0.21 H new ATOM 364 N ILE A 54 78.552 13.993 -6.179 1.00 0.17 N ATOM 365 CA ILE A 54 80.027 14.232 -6.280 1.00 0.17 C ATOM 366 C ILE A 54 80.566 14.589 -4.888 1.00 0.17 C ATOM 367 O ILE A 54 80.071 15.501 -4.249 1.00 0.23 O ATOM 368 CB ILE A 54 80.181 15.415 -7.262 1.00 0.22 C ATOM 369 CG1 ILE A 54 79.600 15.044 -8.635 1.00 0.27 C ATOM 370 CG2 ILE A 54 81.662 15.776 -7.447 1.00 0.26 C ATOM 371 CD1 ILE A 54 79.431 16.309 -9.480 1.00 0.33 C ATOM 0 H ILE A 54 78.034 14.733 -5.705 1.00 0.17 H new ATOM 0 HA ILE A 54 80.581 13.362 -6.632 1.00 0.17 H new ATOM 0 HB ILE A 54 79.644 16.267 -6.844 1.00 0.22 H new ATOM 0 HG12 ILE A 54 80.260 14.341 -9.143 1.00 0.27 H new ATOM 0 HG13 ILE A 54 78.638 14.546 -8.512 1.00 0.27 H new ATOM 0 HG21 ILE A 54 81.749 16.611 -8.142 1.00 0.26 H new ATOM 0 HG22 ILE A 54 82.091 16.058 -6.485 1.00 0.26 H new ATOM 0 HG23 ILE A 54 82.199 14.915 -7.845 1.00 0.26 H new ATOM 0 HD11 ILE A 54 79.019 16.044 -10.454 1.00 0.33 H new ATOM 0 HD12 ILE A 54 78.753 16.997 -8.974 1.00 0.33 H new ATOM 0 HD13 ILE A 54 80.400 16.789 -9.615 1.00 0.33 H new ATOM 383 N THR A 55 81.570 13.876 -4.424 1.00 0.14 N ATOM 384 CA THR A 55 82.115 14.131 -3.050 1.00 0.16 C ATOM 385 C THR A 55 83.645 14.033 -3.031 1.00 0.16 C ATOM 386 O THR A 55 84.247 13.432 -3.902 1.00 0.15 O ATOM 387 CB THR A 55 81.481 13.058 -2.145 1.00 0.17 C ATOM 388 OG1 THR A 55 81.945 13.239 -0.816 1.00 0.23 O ATOM 389 CG2 THR A 55 81.839 11.637 -2.615 1.00 0.16 C ATOM 0 H THR A 55 82.035 13.128 -4.939 1.00 0.14 H new ATOM 0 HA THR A 55 81.874 15.138 -2.708 1.00 0.16 H new ATOM 0 HB THR A 55 80.398 13.169 -2.193 1.00 0.17 H new ATOM 0 HG1 THR A 55 81.453 12.643 -0.214 1.00 0.23 H new ATOM 0 HG21 THR A 55 81.374 10.907 -1.953 1.00 0.16 H new ATOM 0 HG22 THR A 55 81.476 11.488 -3.632 1.00 0.16 H new ATOM 0 HG23 THR A 55 82.921 11.509 -2.594 1.00 0.16 H new ATOM 397 N ASN A 56 84.263 14.629 -2.037 1.00 0.19 N ATOM 398 CA ASN A 56 85.695 14.322 -1.729 1.00 0.21 C ATOM 399 C ASN A 56 85.801 13.470 -0.452 1.00 0.18 C ATOM 400 O ASN A 56 86.793 13.529 0.253 1.00 0.21 O ATOM 401 CB ASN A 56 86.383 15.690 -1.551 1.00 0.27 C ATOM 402 CG ASN A 56 85.758 16.497 -0.399 1.00 0.29 C ATOM 403 OD1 ASN A 56 84.656 16.222 0.036 1.00 0.76 O ATOM 404 ND2 ASN A 56 86.427 17.492 0.116 1.00 0.82 N ATOM 0 H ASN A 56 83.832 15.320 -1.423 1.00 0.19 H new ATOM 0 HA ASN A 56 86.169 13.744 -2.522 1.00 0.21 H new ATOM 0 HB2 ASN A 56 87.445 15.540 -1.356 1.00 0.27 H new ATOM 0 HB3 ASN A 56 86.306 16.259 -2.477 1.00 0.27 H new ATOM 0 HD21 ASN A 56 86.025 18.035 0.880 1.00 0.82 H new ATOM 0 HD22 ASN A 56 87.352 17.726 -0.246 1.00 0.82 H new ATOM 411 N GLY A 57 84.783 12.686 -0.160 1.00 0.16 N ATOM 412 CA GLY A 57 84.799 11.810 1.052 1.00 0.17 C ATOM 413 C GLY A 57 84.729 10.348 0.612 1.00 0.18 C ATOM 414 O GLY A 57 85.643 9.844 -0.017 1.00 0.23 O ATOM 0 H GLY A 57 83.933 12.619 -0.720 1.00 0.16 H new ATOM 0 HA2 GLY A 57 85.706 11.986 1.631 1.00 0.17 H new ATOM 0 HA3 GLY A 57 83.956 12.049 1.700 1.00 0.17 H new ATOM 418 N HIS A 58 83.646 9.676 0.934 1.00 0.17 N ATOM 419 CA HIS A 58 83.450 8.265 0.468 1.00 0.17 C ATOM 420 C HIS A 58 82.006 8.094 -0.009 1.00 0.17 C ATOM 421 O HIS A 58 81.130 8.846 0.379 1.00 0.21 O ATOM 422 CB HIS A 58 83.712 7.335 1.667 1.00 0.20 C ATOM 423 CG HIS A 58 84.919 7.680 2.509 1.00 0.24 C ATOM 424 ND1 HIS A 58 86.101 8.147 1.958 1.00 1.26 N ATOM 425 CD2 HIS A 58 85.134 7.626 3.865 1.00 0.97 C ATOM 426 CE1 HIS A 58 86.966 8.353 2.967 1.00 0.97 C ATOM 427 NE2 HIS A 58 86.428 8.052 4.151 1.00 0.53 N ATOM 0 H HIS A 58 82.886 10.048 1.503 1.00 0.17 H new ATOM 0 HA HIS A 58 84.128 8.027 -0.352 1.00 0.17 H new ATOM 0 HB2 HIS A 58 82.830 7.341 2.308 1.00 0.20 H new ATOM 0 HB3 HIS A 58 83.829 6.317 1.296 1.00 0.20 H new ATOM 0 HD1 HIS A 58 86.282 8.306 0.967 1.00 1.26 H new ATOM 0 HD2 HIS A 58 84.409 7.302 4.597 1.00 0.97 H new ATOM 0 HE1 HIS A 58 87.974 8.718 2.835 1.00 0.97 H new ATOM 0 HE2 HIS A 58 86.870 8.120 5.068 1.00 0.53 H new ATOM 435 N CYS A 59 81.763 7.115 -0.845 1.00 0.15 N ATOM 436 CA CYS A 59 80.368 6.821 -1.304 1.00 0.14 C ATOM 437 C CYS A 59 79.804 5.658 -0.492 1.00 0.11 C ATOM 438 O CYS A 59 80.506 4.700 -0.217 1.00 0.10 O ATOM 439 CB CYS A 59 80.488 6.443 -2.785 1.00 0.17 C ATOM 440 SG CYS A 59 81.059 7.875 -3.736 1.00 0.25 S ATOM 0 H CYS A 59 82.478 6.500 -1.233 1.00 0.15 H new ATOM 0 HA CYS A 59 79.698 7.671 -1.171 1.00 0.14 H new ATOM 0 HB2 CYS A 59 81.186 5.614 -2.903 1.00 0.17 H new ATOM 0 HB3 CYS A 59 79.523 6.104 -3.163 1.00 0.17 H new ATOM 445 N PHE A 60 78.549 5.735 -0.109 1.00 0.11 N ATOM 446 CA PHE A 60 77.989 4.750 0.868 1.00 0.12 C ATOM 447 C PHE A 60 76.680 4.145 0.340 1.00 0.13 C ATOM 448 O PHE A 60 76.019 4.724 -0.505 1.00 0.14 O ATOM 449 CB PHE A 60 77.768 5.541 2.172 1.00 0.16 C ATOM 450 CG PHE A 60 76.631 6.547 2.137 1.00 0.16 C ATOM 451 CD1 PHE A 60 75.314 6.140 2.517 1.00 0.20 C ATOM 452 CD2 PHE A 60 76.870 7.896 1.727 1.00 0.16 C ATOM 453 CE1 PHE A 60 74.238 7.080 2.488 1.00 0.23 C ATOM 454 CE2 PHE A 60 75.793 8.835 1.698 1.00 0.19 C ATOM 455 CZ PHE A 60 74.478 8.427 2.079 1.00 0.22 C ATOM 0 H PHE A 60 77.888 6.441 -0.434 1.00 0.11 H new ATOM 0 HA PHE A 60 78.662 3.908 1.031 1.00 0.12 H new ATOM 0 HB2 PHE A 60 77.580 4.833 2.979 1.00 0.16 H new ATOM 0 HB3 PHE A 60 78.690 6.068 2.418 1.00 0.16 H new ATOM 0 HD1 PHE A 60 75.132 5.121 2.826 1.00 0.20 H new ATOM 0 HD2 PHE A 60 77.864 8.205 1.439 1.00 0.16 H new ATOM 0 HE1 PHE A 60 73.244 6.772 2.775 1.00 0.23 H new ATOM 0 HE2 PHE A 60 75.973 9.854 1.388 1.00 0.19 H new ATOM 0 HZ PHE A 60 73.665 9.138 2.058 1.00 0.22 H new ATOM 465 N ALA A 61 76.318 2.989 0.845 1.00 0.13 N ATOM 466 CA ALA A 61 75.033 2.339 0.453 1.00 0.14 C ATOM 467 C ALA A 61 74.526 1.482 1.613 1.00 0.16 C ATOM 468 O ALA A 61 75.308 0.868 2.316 1.00 0.22 O ATOM 469 CB ALA A 61 75.378 1.464 -0.754 1.00 0.17 C ATOM 0 H ALA A 61 76.870 2.463 1.523 1.00 0.13 H new ATOM 0 HA ALA A 61 74.252 3.060 0.212 1.00 0.14 H new ATOM 0 HB1 ALA A 61 74.480 0.952 -1.101 1.00 0.17 H new ATOM 0 HB2 ALA A 61 75.772 2.089 -1.556 1.00 0.17 H new ATOM 0 HB3 ALA A 61 76.128 0.727 -0.467 1.00 0.17 H new ATOM 475 N ILE A 62 73.229 1.441 1.811 1.00 0.15 N ATOM 476 CA ILE A 62 72.664 0.797 3.037 1.00 0.16 C ATOM 477 C ILE A 62 71.363 0.046 2.700 1.00 0.16 C ATOM 478 O ILE A 62 70.630 0.433 1.806 1.00 0.18 O ATOM 479 CB ILE A 62 72.431 1.956 4.030 1.00 0.20 C ATOM 480 CG1 ILE A 62 71.927 1.402 5.367 1.00 0.24 C ATOM 481 CG2 ILE A 62 71.408 2.961 3.478 1.00 0.23 C ATOM 482 CD1 ILE A 62 72.056 2.478 6.446 1.00 0.30 C ATOM 0 H ILE A 62 72.535 1.829 1.172 1.00 0.15 H new ATOM 0 HA ILE A 62 73.331 0.048 3.464 1.00 0.16 H new ATOM 0 HB ILE A 62 73.380 2.471 4.176 1.00 0.20 H new ATOM 0 HG12 ILE A 62 70.887 1.088 5.274 1.00 0.24 H new ATOM 0 HG13 ILE A 62 72.503 0.520 5.647 1.00 0.24 H new ATOM 0 HG21 ILE A 62 71.264 3.766 4.198 1.00 0.23 H new ATOM 0 HG22 ILE A 62 71.775 3.375 2.539 1.00 0.23 H new ATOM 0 HG23 ILE A 62 70.458 2.455 3.304 1.00 0.23 H new ATOM 0 HD11 ILE A 62 71.698 2.084 7.397 1.00 0.30 H new ATOM 0 HD12 ILE A 62 73.101 2.770 6.545 1.00 0.30 H new ATOM 0 HD13 ILE A 62 71.461 3.347 6.166 1.00 0.30 H new ATOM 494 N ILE A 63 71.091 -1.019 3.418 1.00 0.17 N ATOM 495 CA ILE A 63 69.837 -1.807 3.202 1.00 0.18 C ATOM 496 C ILE A 63 69.247 -2.216 4.562 1.00 0.16 C ATOM 497 O ILE A 63 69.977 -2.498 5.496 1.00 0.20 O ATOM 498 CB ILE A 63 70.258 -3.029 2.356 1.00 0.22 C ATOM 499 CG1 ILE A 63 69.036 -3.904 2.056 1.00 0.26 C ATOM 500 CG2 ILE A 63 71.309 -3.874 3.089 1.00 0.24 C ATOM 501 CD1 ILE A 63 69.369 -4.880 0.926 1.00 0.34 C ATOM 0 H ILE A 63 71.696 -1.380 4.156 1.00 0.17 H new ATOM 0 HA ILE A 63 69.061 -1.240 2.688 1.00 0.18 H new ATOM 0 HB ILE A 63 70.690 -2.659 1.426 1.00 0.22 H new ATOM 0 HG12 ILE A 63 68.741 -4.454 2.950 1.00 0.26 H new ATOM 0 HG13 ILE A 63 68.189 -3.279 1.773 1.00 0.26 H new ATOM 0 HG21 ILE A 63 71.586 -4.727 2.470 1.00 0.24 H new ATOM 0 HG22 ILE A 63 72.192 -3.266 3.286 1.00 0.24 H new ATOM 0 HG23 ILE A 63 70.896 -4.230 4.033 1.00 0.24 H new ATOM 0 HD11 ILE A 63 68.499 -5.502 0.714 1.00 0.34 H new ATOM 0 HD12 ILE A 63 69.642 -4.321 0.031 1.00 0.34 H new ATOM 0 HD13 ILE A 63 70.203 -5.514 1.227 1.00 0.34 H new ATOM 513 N GLU A 64 67.938 -2.258 4.661 1.00 0.23 N ATOM 514 CA GLU A 64 67.272 -2.428 5.990 1.00 0.22 C ATOM 515 C GLU A 64 65.940 -3.161 5.816 1.00 0.19 C ATOM 516 O GLU A 64 65.220 -2.925 4.862 1.00 0.19 O ATOM 517 CB GLU A 64 67.034 -1.008 6.512 1.00 0.29 C ATOM 518 CG GLU A 64 68.372 -0.337 6.829 1.00 0.39 C ATOM 519 CD GLU A 64 68.127 0.936 7.644 1.00 0.46 C ATOM 520 OE1 GLU A 64 67.232 1.684 7.285 1.00 1.04 O ATOM 521 OE2 GLU A 64 68.839 1.141 8.613 1.00 1.16 O ATOM 0 H GLU A 64 67.299 -2.181 3.870 1.00 0.23 H new ATOM 0 HA GLU A 64 67.878 -3.015 6.680 1.00 0.22 H new ATOM 0 HB2 GLU A 64 66.492 -0.424 5.768 1.00 0.29 H new ATOM 0 HB3 GLU A 64 66.412 -1.040 7.407 1.00 0.29 H new ATOM 0 HG2 GLU A 64 69.010 -1.021 7.388 1.00 0.39 H new ATOM 0 HG3 GLU A 64 68.897 -0.094 5.905 1.00 0.39 H new ATOM 528 N GLU A 65 65.619 -4.044 6.736 1.00 0.22 N ATOM 529 CA GLU A 65 64.342 -4.818 6.650 1.00 0.22 C ATOM 530 C GLU A 65 63.302 -4.220 7.604 1.00 0.26 C ATOM 531 O GLU A 65 63.484 -4.226 8.809 1.00 0.32 O ATOM 532 CB GLU A 65 64.731 -6.239 7.078 1.00 0.26 C ATOM 533 CG GLU A 65 63.535 -7.194 6.935 1.00 0.29 C ATOM 534 CD GLU A 65 62.722 -7.232 8.236 1.00 0.32 C ATOM 535 OE1 GLU A 65 63.317 -7.136 9.298 1.00 0.36 O ATOM 536 OE2 GLU A 65 61.513 -7.369 8.147 1.00 0.33 O ATOM 0 H GLU A 65 66.195 -4.261 7.549 1.00 0.22 H new ATOM 0 HA GLU A 65 63.897 -4.799 5.655 1.00 0.22 H new ATOM 0 HB2 GLU A 65 65.562 -6.594 6.468 1.00 0.26 H new ATOM 0 HB3 GLU A 65 65.076 -6.232 8.112 1.00 0.26 H new ATOM 0 HG2 GLU A 65 62.899 -6.870 6.111 1.00 0.29 H new ATOM 0 HG3 GLU A 65 63.889 -8.196 6.690 1.00 0.29 H new ATOM 543 N ASP A 66 62.217 -3.708 7.064 1.00 0.28 N ATOM 544 CA ASP A 66 61.193 -3.006 7.906 1.00 0.37 C ATOM 545 C ASP A 66 60.183 -4.011 8.477 1.00 0.40 C ATOM 546 O ASP A 66 60.220 -5.182 8.152 1.00 0.36 O ATOM 547 CB ASP A 66 60.507 -1.982 6.981 1.00 0.42 C ATOM 548 CG ASP A 66 59.830 -2.670 5.786 1.00 0.41 C ATOM 549 OD1 ASP A 66 58.939 -3.470 6.015 1.00 0.67 O ATOM 550 OD2 ASP A 66 60.217 -2.381 4.666 1.00 0.77 O ATOM 0 H ASP A 66 61.997 -3.747 6.069 1.00 0.28 H new ATOM 0 HA ASP A 66 61.649 -2.509 8.762 1.00 0.37 H new ATOM 0 HB2 ASP A 66 59.765 -1.419 7.547 1.00 0.42 H new ATOM 0 HB3 ASP A 66 61.244 -1.265 6.620 1.00 0.42 H new ATOM 555 N ASP A 67 59.282 -3.549 9.315 1.00 0.48 N ATOM 556 CA ASP A 67 58.355 -4.482 10.050 1.00 0.52 C ATOM 557 C ASP A 67 57.479 -5.308 9.089 1.00 0.51 C ATOM 558 O ASP A 67 56.915 -6.313 9.488 1.00 0.53 O ATOM 559 CB ASP A 67 57.480 -3.595 10.960 1.00 0.62 C ATOM 560 CG ASP A 67 56.696 -2.566 10.133 1.00 1.05 C ATOM 561 OD1 ASP A 67 57.329 -1.751 9.482 1.00 1.54 O ATOM 562 OD2 ASP A 67 55.477 -2.612 10.168 1.00 1.59 O ATOM 0 H ASP A 67 59.146 -2.560 9.525 1.00 0.48 H new ATOM 0 HA ASP A 67 58.929 -5.208 10.626 1.00 0.52 H new ATOM 0 HB2 ASP A 67 56.786 -4.219 11.524 1.00 0.62 H new ATOM 0 HB3 ASP A 67 58.109 -3.080 11.686 1.00 0.62 H new ATOM 567 N GLN A 68 57.361 -4.899 7.842 1.00 0.50 N ATOM 568 CA GLN A 68 56.558 -5.687 6.849 1.00 0.51 C ATOM 569 C GLN A 68 57.432 -6.689 6.072 1.00 0.46 C ATOM 570 O GLN A 68 56.909 -7.549 5.384 1.00 0.49 O ATOM 571 CB GLN A 68 55.965 -4.648 5.895 1.00 0.56 C ATOM 572 CG GLN A 68 54.900 -3.830 6.628 1.00 0.65 C ATOM 573 CD GLN A 68 54.342 -2.757 5.690 1.00 1.24 C ATOM 574 OE1 GLN A 68 55.072 -2.169 4.916 1.00 2.00 O ATOM 575 NE2 GLN A 68 53.068 -2.475 5.726 1.00 1.65 N ATOM 0 H GLN A 68 57.788 -4.051 7.471 1.00 0.50 H new ATOM 0 HA GLN A 68 55.792 -6.280 7.349 1.00 0.51 H new ATOM 0 HB2 GLN A 68 56.751 -3.991 5.522 1.00 0.56 H new ATOM 0 HB3 GLN A 68 55.526 -5.143 5.029 1.00 0.56 H new ATOM 0 HG2 GLN A 68 54.097 -4.483 6.969 1.00 0.65 H new ATOM 0 HG3 GLN A 68 55.331 -3.364 7.514 1.00 0.65 H new ATOM 0 HE21 GLN A 68 52.455 -2.968 6.375 1.00 1.65 H new ATOM 0 HE22 GLN A 68 52.686 -1.762 5.105 1.00 1.65 H new ATOM 584 N GLY A 69 58.744 -6.589 6.172 1.00 0.39 N ATOM 585 CA GLY A 69 59.647 -7.578 5.502 1.00 0.37 C ATOM 586 C GLY A 69 60.024 -7.113 4.087 1.00 0.37 C ATOM 587 O GLY A 69 60.413 -7.923 3.262 1.00 0.40 O ATOM 0 H GLY A 69 59.226 -5.857 6.694 1.00 0.39 H new ATOM 0 HA2 GLY A 69 60.550 -7.711 6.097 1.00 0.37 H new ATOM 0 HA3 GLY A 69 59.153 -8.548 5.450 1.00 0.37 H new ATOM 591 N GLU A 70 59.912 -5.832 3.797 1.00 0.36 N ATOM 592 CA GLU A 70 60.474 -5.285 2.523 1.00 0.36 C ATOM 593 C GLU A 70 61.850 -4.668 2.786 1.00 0.29 C ATOM 594 O GLU A 70 62.069 -4.059 3.819 1.00 0.27 O ATOM 595 CB GLU A 70 59.480 -4.209 2.076 1.00 0.44 C ATOM 596 CG GLU A 70 58.156 -4.864 1.676 1.00 0.53 C ATOM 597 CD GLU A 70 58.331 -5.618 0.355 1.00 0.67 C ATOM 598 OE1 GLU A 70 58.940 -5.065 -0.546 1.00 1.28 O ATOM 599 OE2 GLU A 70 57.851 -6.737 0.267 1.00 1.19 O ATOM 0 H GLU A 70 59.453 -5.144 4.393 1.00 0.36 H new ATOM 0 HA GLU A 70 60.605 -6.055 1.762 1.00 0.36 H new ATOM 0 HB2 GLU A 70 59.315 -3.495 2.883 1.00 0.44 H new ATOM 0 HB3 GLU A 70 59.889 -3.650 1.235 1.00 0.44 H new ATOM 0 HG2 GLU A 70 57.828 -5.550 2.457 1.00 0.53 H new ATOM 0 HG3 GLU A 70 57.380 -4.105 1.573 1.00 0.53 H new ATOM 606 N THR A 71 62.770 -4.828 1.860 1.00 0.27 N ATOM 607 CA THR A 71 64.128 -4.217 2.015 1.00 0.23 C ATOM 608 C THR A 71 64.187 -2.864 1.304 1.00 0.25 C ATOM 609 O THR A 71 63.815 -2.750 0.148 1.00 0.30 O ATOM 610 CB THR A 71 65.099 -5.205 1.359 1.00 0.28 C ATOM 611 OG1 THR A 71 64.571 -5.647 0.115 1.00 0.33 O ATOM 612 CG2 THR A 71 65.309 -6.404 2.285 1.00 0.31 C ATOM 0 H THR A 71 62.635 -5.359 1.000 1.00 0.27 H new ATOM 0 HA THR A 71 64.375 -4.040 3.062 1.00 0.23 H new ATOM 0 HB THR A 71 66.054 -4.709 1.184 1.00 0.28 H new ATOM 0 HG1 THR A 71 64.175 -4.887 -0.361 1.00 0.33 H new ATOM 0 HG21 THR A 71 65.999 -7.107 1.819 1.00 0.31 H new ATOM 0 HG22 THR A 71 65.724 -6.063 3.234 1.00 0.31 H new ATOM 0 HG23 THR A 71 64.354 -6.898 2.463 1.00 0.31 H new ATOM 620 N THR A 72 64.650 -1.845 1.993 1.00 0.23 N ATOM 621 CA THR A 72 64.801 -0.496 1.364 1.00 0.26 C ATOM 622 C THR A 72 66.248 -0.278 0.914 1.00 0.24 C ATOM 623 O THR A 72 67.147 -0.184 1.731 1.00 0.25 O ATOM 624 CB THR A 72 64.425 0.503 2.461 1.00 0.29 C ATOM 625 OG1 THR A 72 65.090 0.159 3.669 1.00 0.28 O ATOM 626 CG2 THR A 72 62.912 0.470 2.681 1.00 0.34 C ATOM 0 H THR A 72 64.931 -1.893 2.972 1.00 0.23 H new ATOM 0 HA THR A 72 64.173 -0.384 0.480 1.00 0.26 H new ATOM 0 HB THR A 72 64.727 1.506 2.158 1.00 0.29 H new ATOM 0 HG1 THR A 72 66.019 -0.084 3.473 1.00 0.28 H new ATOM 0 HG21 THR A 72 62.642 1.181 3.462 1.00 0.34 H new ATOM 0 HG22 THR A 72 62.404 0.738 1.755 1.00 0.34 H new ATOM 0 HG23 THR A 72 62.610 -0.533 2.983 1.00 0.34 H new ATOM 634 N LEU A 73 66.466 -0.199 -0.380 1.00 0.25 N ATOM 635 CA LEU A 73 67.845 0.022 -0.917 1.00 0.25 C ATOM 636 C LEU A 73 68.064 1.508 -1.213 1.00 0.24 C ATOM 637 O LEU A 73 67.333 2.101 -1.988 1.00 0.28 O ATOM 638 CB LEU A 73 67.902 -0.796 -2.219 1.00 0.30 C ATOM 639 CG LEU A 73 68.282 -2.269 -1.956 1.00 0.34 C ATOM 640 CD1 LEU A 73 69.676 -2.360 -1.326 1.00 1.18 C ATOM 641 CD2 LEU A 73 67.255 -2.934 -1.028 1.00 0.82 C ATOM 0 H LEU A 73 65.739 -0.279 -1.091 1.00 0.25 H new ATOM 0 HA LEU A 73 68.616 -0.281 -0.209 1.00 0.25 H new ATOM 0 HB2 LEU A 73 66.933 -0.754 -2.717 1.00 0.30 H new ATOM 0 HB3 LEU A 73 68.629 -0.349 -2.897 1.00 0.30 H new ATOM 0 HG LEU A 73 68.288 -2.792 -2.913 1.00 0.34 H new ATOM 0 HD11 LEU A 73 69.927 -3.406 -1.148 1.00 1.18 H new ATOM 0 HD12 LEU A 73 70.410 -1.921 -2.002 1.00 1.18 H new ATOM 0 HD13 LEU A 73 69.684 -1.819 -0.380 1.00 1.18 H new ATOM 0 HD21 LEU A 73 67.540 -3.972 -0.854 1.00 0.82 H new ATOM 0 HD22 LEU A 73 67.225 -2.402 -0.077 1.00 0.82 H new ATOM 0 HD23 LEU A 73 66.270 -2.901 -1.493 1.00 0.82 H new ATOM 653 N ALA A 74 69.063 2.104 -0.600 1.00 0.21 N ATOM 654 CA ALA A 74 69.367 3.547 -0.853 1.00 0.21 C ATOM 655 C ALA A 74 70.879 3.788 -0.831 1.00 0.19 C ATOM 656 O ALA A 74 71.606 3.118 -0.121 1.00 0.21 O ATOM 657 CB ALA A 74 68.689 4.299 0.294 1.00 0.25 C ATOM 0 H ALA A 74 69.683 1.647 0.069 1.00 0.21 H new ATOM 0 HA ALA A 74 69.010 3.877 -1.829 1.00 0.21 H new ATOM 0 HB1 ALA A 74 68.865 5.369 0.182 1.00 0.25 H new ATOM 0 HB2 ALA A 74 67.617 4.104 0.274 1.00 0.25 H new ATOM 0 HB3 ALA A 74 69.101 3.961 1.245 1.00 0.25 H new ATOM 663 N SER A 75 71.345 4.740 -1.608 1.00 0.16 N ATOM 664 CA SER A 75 72.796 5.106 -1.599 1.00 0.14 C ATOM 665 C SER A 75 72.949 6.618 -1.786 1.00 0.15 C ATOM 666 O SER A 75 72.018 7.289 -2.197 1.00 0.17 O ATOM 667 CB SER A 75 73.413 4.345 -2.772 1.00 0.13 C ATOM 668 OG SER A 75 72.887 4.853 -3.991 1.00 0.16 O ATOM 0 H SER A 75 70.773 5.284 -2.254 1.00 0.16 H new ATOM 0 HA SER A 75 73.285 4.849 -0.659 1.00 0.14 H new ATOM 0 HB2 SER A 75 74.498 4.451 -2.759 1.00 0.13 H new ATOM 0 HB3 SER A 75 73.195 3.281 -2.684 1.00 0.13 H new ATOM 0 HG SER A 75 73.282 4.368 -4.745 1.00 0.16 H new ATOM 674 N GLY A 76 74.115 7.149 -1.487 1.00 0.17 N ATOM 675 CA GLY A 76 74.330 8.626 -1.593 1.00 0.24 C ATOM 676 C GLY A 76 75.808 8.963 -1.372 1.00 0.16 C ATOM 677 O GLY A 76 76.626 8.085 -1.163 1.00 0.13 O ATOM 0 H GLY A 76 74.928 6.618 -1.173 1.00 0.17 H new ATOM 0 HA2 GLY A 76 74.012 8.978 -2.575 1.00 0.24 H new ATOM 0 HA3 GLY A 76 73.717 9.144 -0.855 1.00 0.24 H new ATOM 681 N CYS A 77 76.141 10.235 -1.418 1.00 0.17 N ATOM 682 CA CYS A 77 77.563 10.672 -1.251 1.00 0.13 C ATOM 683 C CYS A 77 77.801 11.172 0.179 1.00 0.12 C ATOM 684 O CYS A 77 77.013 11.935 0.709 1.00 0.20 O ATOM 685 CB CYS A 77 77.732 11.823 -2.247 1.00 0.20 C ATOM 686 SG CYS A 77 78.152 11.174 -3.886 1.00 0.58 S ATOM 0 H CYS A 77 75.478 10.996 -1.566 1.00 0.17 H new ATOM 0 HA CYS A 77 78.270 9.861 -1.427 1.00 0.13 H new ATOM 0 HB2 CYS A 77 76.811 12.404 -2.303 1.00 0.20 H new ATOM 0 HB3 CYS A 77 78.515 12.499 -1.904 1.00 0.20 H new ATOM 691 N MET A 78 78.880 10.743 0.798 1.00 0.13 N ATOM 692 CA MET A 78 79.230 11.236 2.168 1.00 0.19 C ATOM 693 C MET A 78 80.297 12.332 2.077 1.00 0.22 C ATOM 694 O MET A 78 81.334 12.140 1.467 1.00 0.20 O ATOM 695 CB MET A 78 79.782 10.010 2.902 1.00 0.22 C ATOM 696 CG MET A 78 79.561 10.171 4.408 1.00 0.30 C ATOM 697 SD MET A 78 80.016 8.635 5.253 1.00 0.37 S ATOM 698 CE MET A 78 78.497 7.715 4.898 1.00 0.39 C ATOM 0 H MET A 78 79.536 10.067 0.407 1.00 0.13 H new ATOM 0 HA MET A 78 78.372 11.668 2.684 1.00 0.19 H new ATOM 0 HB2 MET A 78 79.287 9.107 2.546 1.00 0.22 H new ATOM 0 HB3 MET A 78 80.845 9.895 2.690 1.00 0.22 H new ATOM 0 HG2 MET A 78 80.160 10.999 4.788 1.00 0.30 H new ATOM 0 HG3 MET A 78 78.518 10.414 4.609 1.00 0.30 H new ATOM 0 HE1 MET A 78 77.944 7.555 5.823 1.00 0.39 H new ATOM 0 HE2 MET A 78 77.882 8.284 4.201 1.00 0.39 H new ATOM 0 HE3 MET A 78 78.750 6.752 4.456 1.00 0.39 H new ATOM 708 N LYS A 79 80.042 13.474 2.680 1.00 0.30 N ATOM 709 CA LYS A 79 81.056 14.584 2.683 1.00 0.37 C ATOM 710 C LYS A 79 82.303 14.171 3.480 1.00 0.39 C ATOM 711 O LYS A 79 82.315 13.135 4.122 1.00 0.45 O ATOM 712 CB LYS A 79 80.364 15.806 3.322 1.00 0.49 C ATOM 713 CG LYS A 79 79.916 15.505 4.761 1.00 0.56 C ATOM 714 CD LYS A 79 79.416 16.793 5.418 1.00 0.68 C ATOM 715 CE LYS A 79 79.231 16.563 6.919 1.00 1.10 C ATOM 716 NZ LYS A 79 77.951 15.810 7.038 1.00 1.68 N ATOM 0 H LYS A 79 79.173 13.685 3.171 1.00 0.30 H new ATOM 0 HA LYS A 79 81.394 14.817 1.673 1.00 0.37 H new ATOM 0 HB2 LYS A 79 81.048 16.655 3.322 1.00 0.49 H new ATOM 0 HB3 LYS A 79 79.500 16.092 2.722 1.00 0.49 H new ATOM 0 HG2 LYS A 79 79.125 14.755 4.758 1.00 0.56 H new ATOM 0 HG3 LYS A 79 80.746 15.091 5.333 1.00 0.56 H new ATOM 0 HD2 LYS A 79 80.128 17.600 5.248 1.00 0.68 H new ATOM 0 HD3 LYS A 79 78.472 17.101 4.968 1.00 0.68 H new ATOM 0 HE2 LYS A 79 80.063 15.996 7.337 1.00 1.10 H new ATOM 0 HE3 LYS A 79 79.185 17.508 7.461 1.00 1.10 H new ATOM 0 HZ1 LYS A 79 77.329 16.289 7.720 1.00 1.68 H new ATOM 0 HZ2 LYS A 79 77.483 15.772 6.110 1.00 1.68 H new ATOM 0 HZ3 LYS A 79 78.146 14.843 7.367 1.00 1.68 H new ATOM 730 N TYR A 80 83.342 14.978 3.435 1.00 0.44 N ATOM 731 CA TYR A 80 84.608 14.646 4.176 1.00 0.50 C ATOM 732 C TYR A 80 84.360 14.648 5.689 1.00 0.65 C ATOM 733 O TYR A 80 83.555 15.415 6.187 1.00 0.74 O ATOM 734 CB TYR A 80 85.614 15.741 3.807 1.00 0.57 C ATOM 735 CG TYR A 80 87.004 15.488 4.342 1.00 1.38 C ATOM 736 CD1 TYR A 80 87.949 14.755 3.560 1.00 2.38 C ATOM 737 CD2 TYR A 80 87.373 15.983 5.631 1.00 1.45 C ATOM 738 CE1 TYR A 80 89.264 14.516 4.068 1.00 3.44 C ATOM 739 CE2 TYR A 80 88.688 15.744 6.138 1.00 2.44 C ATOM 740 CZ TYR A 80 89.633 15.011 5.357 1.00 3.45 C ATOM 741 OH TYR A 80 90.903 14.780 5.846 1.00 4.48 O ATOM 0 H TYR A 80 83.368 15.855 2.915 1.00 0.44 H new ATOM 0 HA TYR A 80 84.975 13.655 3.908 1.00 0.50 H new ATOM 0 HB2 TYR A 80 85.662 15.829 2.722 1.00 0.57 H new ATOM 0 HB3 TYR A 80 85.255 16.697 4.189 1.00 0.57 H new ATOM 0 HD1 TYR A 80 87.670 14.382 2.586 1.00 2.38 H new ATOM 0 HD2 TYR A 80 86.659 16.537 6.222 1.00 1.45 H new ATOM 0 HE1 TYR A 80 89.978 13.961 3.478 1.00 3.44 H new ATOM 0 HE2 TYR A 80 88.967 16.118 7.112 1.00 2.44 H new ATOM 0 HH TYR A 80 90.990 15.185 6.734 1.00 4.48 H new ATOM 751 N GLU A 81 85.050 13.792 6.411 1.00 0.78 N ATOM 752 CA GLU A 81 84.843 13.690 7.889 1.00 0.97 C ATOM 753 C GLU A 81 86.191 13.674 8.615 1.00 1.03 C ATOM 754 O GLU A 81 86.383 14.386 9.586 1.00 1.17 O ATOM 755 CB GLU A 81 84.110 12.363 8.094 1.00 1.15 C ATOM 756 CG GLU A 81 82.698 12.462 7.512 1.00 1.29 C ATOM 757 CD GLU A 81 81.926 11.174 7.810 1.00 1.56 C ATOM 758 OE1 GLU A 81 82.499 10.109 7.646 1.00 2.00 O ATOM 759 OE2 GLU A 81 80.773 11.276 8.198 1.00 1.88 O ATOM 0 H GLU A 81 85.752 13.156 6.033 1.00 0.78 H new ATOM 0 HA GLU A 81 84.280 14.535 8.285 1.00 0.97 H new ATOM 0 HB2 GLU A 81 84.658 11.555 7.610 1.00 1.15 H new ATOM 0 HB3 GLU A 81 84.061 12.123 9.156 1.00 1.15 H new ATOM 0 HG2 GLU A 81 82.176 13.318 7.941 1.00 1.29 H new ATOM 0 HG3 GLU A 81 82.749 12.626 6.436 1.00 1.29 H new ATOM 766 N GLY A 82 87.118 12.866 8.147 1.00 1.17 N ATOM 767 CA GLY A 82 88.457 12.768 8.806 1.00 1.32 C ATOM 768 C GLY A 82 88.993 11.339 8.677 1.00 1.32 C ATOM 769 O GLY A 82 90.185 11.135 8.527 1.00 1.68 O ATOM 0 H GLY A 82 86.999 12.267 7.330 1.00 1.17 H new ATOM 0 HA2 GLY A 82 89.152 13.470 8.345 1.00 1.32 H new ATOM 0 HA3 GLY A 82 88.376 13.043 9.858 1.00 1.32 H new ATOM 773 N SER A 83 88.118 10.358 8.736 1.00 1.50 N ATOM 774 CA SER A 83 88.564 8.927 8.638 1.00 1.67 C ATOM 775 C SER A 83 88.979 8.602 7.200 1.00 1.53 C ATOM 776 O SER A 83 88.201 8.765 6.276 1.00 1.87 O ATOM 777 CB SER A 83 87.354 8.081 9.048 1.00 2.39 C ATOM 778 OG SER A 83 87.129 8.226 10.443 1.00 2.95 O ATOM 0 H SER A 83 87.112 10.487 8.848 1.00 1.50 H new ATOM 0 HA SER A 83 89.424 8.728 9.277 1.00 1.67 H new ATOM 0 HB2 SER A 83 86.471 8.395 8.491 1.00 2.39 H new ATOM 0 HB3 SER A 83 87.529 7.033 8.803 1.00 2.39 H new ATOM 0 HG SER A 83 86.354 7.687 10.707 1.00 2.95 H new ATOM 784 N ASP A 84 90.198 8.144 7.016 1.00 1.53 N ATOM 785 CA ASP A 84 90.691 7.805 5.639 1.00 2.00 C ATOM 786 C ASP A 84 90.099 6.468 5.173 1.00 2.19 C ATOM 787 O ASP A 84 89.770 6.304 4.010 1.00 2.65 O ATOM 788 CB ASP A 84 92.229 7.733 5.732 1.00 2.31 C ATOM 789 CG ASP A 84 92.675 6.670 6.748 1.00 2.55 C ATOM 790 OD1 ASP A 84 92.736 5.511 6.374 1.00 2.82 O ATOM 791 OD2 ASP A 84 92.947 7.037 7.879 1.00 2.99 O ATOM 0 H ASP A 84 90.875 7.990 7.763 1.00 1.53 H new ATOM 0 HA ASP A 84 90.385 8.554 4.909 1.00 2.00 H new ATOM 0 HB2 ASP A 84 92.645 7.500 4.752 1.00 2.31 H new ATOM 0 HB3 ASP A 84 92.624 8.706 6.023 1.00 2.31 H new ATOM 796 N PHE A 85 89.964 5.522 6.076 1.00 2.05 N ATOM 797 CA PHE A 85 89.411 4.182 5.711 1.00 2.34 C ATOM 798 C PHE A 85 88.801 3.510 6.952 1.00 2.09 C ATOM 799 O PHE A 85 89.305 2.513 7.445 1.00 2.51 O ATOM 800 CB PHE A 85 90.606 3.392 5.165 1.00 3.12 C ATOM 801 CG PHE A 85 90.229 2.046 4.595 1.00 3.95 C ATOM 802 CD1 PHE A 85 89.769 1.945 3.245 1.00 4.63 C ATOM 803 CD2 PHE A 85 90.334 0.872 5.404 1.00 4.47 C ATOM 804 CE1 PHE A 85 89.413 0.670 2.705 1.00 5.73 C ATOM 805 CE2 PHE A 85 89.979 -0.403 4.863 1.00 5.60 C ATOM 806 CZ PHE A 85 89.518 -0.504 3.514 1.00 6.20 C ATOM 0 H PHE A 85 90.217 5.626 7.059 1.00 2.05 H new ATOM 0 HA PHE A 85 88.611 4.241 4.973 1.00 2.34 H new ATOM 0 HB2 PHE A 85 91.097 3.981 4.390 1.00 3.12 H new ATOM 0 HB3 PHE A 85 91.332 3.248 5.965 1.00 3.12 H new ATOM 0 HD1 PHE A 85 89.690 2.832 2.633 1.00 4.63 H new ATOM 0 HD2 PHE A 85 90.681 0.948 6.424 1.00 4.47 H new ATOM 0 HE1 PHE A 85 89.065 0.594 1.686 1.00 5.73 H new ATOM 0 HE2 PHE A 85 90.059 -1.290 5.474 1.00 5.60 H new ATOM 0 HZ PHE A 85 89.249 -1.467 3.106 1.00 6.20 H new ATOM 816 N GLN A 86 87.713 4.056 7.449 1.00 1.76 N ATOM 817 CA GLN A 86 87.065 3.509 8.682 1.00 1.97 C ATOM 818 C GLN A 86 85.579 3.881 8.697 1.00 1.56 C ATOM 819 O GLN A 86 85.227 5.024 8.929 1.00 1.63 O ATOM 820 CB GLN A 86 87.793 4.166 9.858 1.00 2.30 C ATOM 821 CG GLN A 86 89.153 3.496 10.069 1.00 2.88 C ATOM 822 CD GLN A 86 89.733 3.931 11.416 1.00 3.49 C ATOM 823 OE1 GLN A 86 89.609 5.076 11.804 1.00 3.79 O ATOM 824 NE2 GLN A 86 90.368 3.059 12.152 1.00 4.00 N ATOM 0 H GLN A 86 87.243 4.867 7.046 1.00 1.76 H new ATOM 0 HA GLN A 86 87.129 2.422 8.730 1.00 1.97 H new ATOM 0 HB2 GLN A 86 87.928 5.230 9.665 1.00 2.30 H new ATOM 0 HB3 GLN A 86 87.191 4.080 10.763 1.00 2.30 H new ATOM 0 HG2 GLN A 86 89.044 2.412 10.041 1.00 2.88 H new ATOM 0 HG3 GLN A 86 89.834 3.769 9.263 1.00 2.88 H new ATOM 0 HE21 GLN A 86 90.473 2.098 11.828 1.00 4.00 H new ATOM 0 HE22 GLN A 86 90.759 3.339 13.051 1.00 4.00 H new ATOM 833 N CYS A 87 84.717 2.919 8.452 1.00 1.45 N ATOM 834 CA CYS A 87 83.245 3.190 8.437 1.00 1.23 C ATOM 835 C CYS A 87 82.599 2.632 9.712 1.00 1.50 C ATOM 836 O CYS A 87 82.155 1.497 9.747 1.00 1.65 O ATOM 837 CB CYS A 87 82.719 2.469 7.190 1.00 1.22 C ATOM 838 SG CYS A 87 83.353 3.284 5.701 1.00 1.27 S ATOM 0 H CYS A 87 84.975 1.951 8.261 1.00 1.45 H new ATOM 0 HA CYS A 87 83.015 4.255 8.408 1.00 1.23 H new ATOM 0 HB2 CYS A 87 83.029 1.424 7.204 1.00 1.22 H new ATOM 0 HB3 CYS A 87 81.629 2.478 7.185 1.00 1.22 H new ATOM 843 N LYS A 88 82.550 3.432 10.755 1.00 1.85 N ATOM 844 CA LYS A 88 82.066 2.935 12.085 1.00 2.19 C ATOM 845 C LYS A 88 80.537 2.960 12.150 1.00 1.99 C ATOM 846 O LYS A 88 79.878 3.428 11.238 1.00 1.76 O ATOM 847 CB LYS A 88 82.646 3.899 13.124 1.00 2.68 C ATOM 848 CG LYS A 88 84.169 3.753 13.164 1.00 3.07 C ATOM 849 CD LYS A 88 84.736 4.631 14.281 1.00 3.52 C ATOM 850 CE LYS A 88 86.265 4.578 14.246 1.00 4.12 C ATOM 851 NZ LYS A 88 86.700 5.179 15.537 1.00 4.48 N ATOM 0 H LYS A 88 82.827 4.414 10.741 1.00 1.85 H new ATOM 0 HA LYS A 88 82.379 1.906 12.260 1.00 2.19 H new ATOM 0 HB2 LYS A 88 82.375 4.925 12.875 1.00 2.68 H new ATOM 0 HB3 LYS A 88 82.224 3.688 14.107 1.00 2.68 H new ATOM 0 HG2 LYS A 88 84.441 2.711 13.332 1.00 3.07 H new ATOM 0 HG3 LYS A 88 84.598 4.043 12.205 1.00 3.07 H new ATOM 0 HD2 LYS A 88 84.394 5.659 14.159 1.00 3.52 H new ATOM 0 HD3 LYS A 88 84.372 4.287 15.249 1.00 3.52 H new ATOM 0 HE2 LYS A 88 86.622 3.553 14.147 1.00 4.12 H new ATOM 0 HE3 LYS A 88 86.660 5.136 13.397 1.00 4.12 H new ATOM 0 HZ1 LYS A 88 87.739 5.178 15.588 1.00 4.48 H new ATOM 0 HZ2 LYS A 88 86.351 6.157 15.600 1.00 4.48 H new ATOM 0 HZ3 LYS A 88 86.314 4.622 16.326 1.00 4.48 H new ATOM 865 N ASP A 89 79.980 2.455 13.228 1.00 2.19 N ATOM 866 CA ASP A 89 78.510 2.591 13.476 1.00 2.09 C ATOM 867 C ASP A 89 78.262 3.056 14.918 1.00 2.34 C ATOM 868 O ASP A 89 79.042 2.761 15.808 1.00 2.73 O ATOM 869 CB ASP A 89 77.909 1.194 13.226 1.00 2.28 C ATOM 870 CG ASP A 89 78.545 0.139 14.146 1.00 2.32 C ATOM 871 OD1 ASP A 89 79.743 -0.068 14.038 1.00 2.62 O ATOM 872 OD2 ASP A 89 77.822 -0.439 14.940 1.00 2.67 O ATOM 0 H ASP A 89 80.489 1.949 13.953 1.00 2.19 H new ATOM 0 HA ASP A 89 78.050 3.333 12.823 1.00 2.09 H new ATOM 0 HB2 ASP A 89 76.832 1.224 13.393 1.00 2.28 H new ATOM 0 HB3 ASP A 89 78.062 0.911 12.185 1.00 2.28 H new ATOM 877 N SER A 90 77.186 3.776 15.143 1.00 2.30 N ATOM 878 CA SER A 90 76.892 4.306 16.517 1.00 2.64 C ATOM 879 C SER A 90 76.380 3.168 17.420 1.00 2.59 C ATOM 880 O SER A 90 75.603 2.350 16.963 1.00 2.35 O ATOM 881 CB SER A 90 75.805 5.370 16.332 1.00 2.77 C ATOM 882 OG SER A 90 76.415 6.616 16.026 1.00 3.16 O ATOM 0 H SER A 90 76.496 4.020 14.432 1.00 2.30 H new ATOM 0 HA SER A 90 77.781 4.724 16.989 1.00 2.64 H new ATOM 0 HB2 SER A 90 75.126 5.078 15.531 1.00 2.77 H new ATOM 0 HB3 SER A 90 75.208 5.458 17.239 1.00 2.77 H new ATOM 0 HG SER A 90 75.722 7.299 15.905 1.00 3.16 H new ATOM 888 N PRO A 91 76.818 3.136 18.673 1.00 2.99 N ATOM 889 CA PRO A 91 76.499 1.979 19.563 1.00 3.12 C ATOM 890 C PRO A 91 75.086 2.104 20.162 1.00 2.91 C ATOM 891 O PRO A 91 74.914 2.165 21.370 1.00 3.25 O ATOM 892 CB PRO A 91 77.575 2.107 20.638 1.00 3.78 C ATOM 893 CG PRO A 91 77.732 3.580 20.785 1.00 3.91 C ATOM 894 CD PRO A 91 77.643 4.137 19.391 1.00 3.49 C ATOM 0 HA PRO A 91 76.498 1.016 19.053 1.00 3.12 H new ATOM 0 HB2 PRO A 91 77.268 1.639 21.573 1.00 3.78 H new ATOM 0 HB3 PRO A 91 78.507 1.631 20.334 1.00 3.78 H new ATOM 0 HG2 PRO A 91 76.953 3.996 21.424 1.00 3.91 H new ATOM 0 HG3 PRO A 91 78.688 3.828 21.246 1.00 3.91 H new ATOM 0 HD2 PRO A 91 77.178 5.123 19.381 1.00 3.49 H new ATOM 0 HD3 PRO A 91 78.628 4.245 18.938 1.00 3.49 H new ATOM 902 N LYS A 92 74.076 2.143 19.320 1.00 2.45 N ATOM 903 CA LYS A 92 72.660 2.106 19.812 1.00 2.37 C ATOM 904 C LYS A 92 71.730 1.566 18.719 1.00 2.02 C ATOM 905 O LYS A 92 70.588 1.977 18.610 1.00 2.11 O ATOM 906 CB LYS A 92 72.305 3.553 20.201 1.00 2.71 C ATOM 907 CG LYS A 92 72.445 4.499 18.999 1.00 3.25 C ATOM 908 CD LYS A 92 72.214 5.941 19.454 1.00 3.80 C ATOM 909 CE LYS A 92 72.090 6.850 18.229 1.00 4.53 C ATOM 910 NZ LYS A 92 70.675 6.707 17.787 1.00 5.06 N ATOM 0 H LYS A 92 74.174 2.199 18.306 1.00 2.45 H new ATOM 0 HA LYS A 92 72.544 1.441 20.668 1.00 2.37 H new ATOM 0 HB2 LYS A 92 71.284 3.591 20.580 1.00 2.71 H new ATOM 0 HB3 LYS A 92 72.957 3.886 21.008 1.00 2.71 H new ATOM 0 HG2 LYS A 92 73.437 4.400 18.559 1.00 3.25 H new ATOM 0 HG3 LYS A 92 71.725 4.231 18.226 1.00 3.25 H new ATOM 0 HD2 LYS A 92 71.309 6.002 20.058 1.00 3.80 H new ATOM 0 HD3 LYS A 92 73.040 6.272 20.083 1.00 3.80 H new ATOM 0 HE2 LYS A 92 72.323 7.885 18.480 1.00 4.53 H new ATOM 0 HE3 LYS A 92 72.782 6.549 17.442 1.00 4.53 H new ATOM 0 HZ1 LYS A 92 70.639 6.657 16.749 1.00 5.06 H new ATOM 0 HZ2 LYS A 92 70.272 5.837 18.190 1.00 5.06 H new ATOM 0 HZ3 LYS A 92 70.125 7.527 18.113 1.00 5.06 H new ATOM 924 N ALA A 93 72.223 0.649 17.921 1.00 1.94 N ATOM 925 CA ALA A 93 71.420 0.113 16.774 1.00 2.07 C ATOM 926 C ALA A 93 70.486 -1.005 17.249 1.00 2.03 C ATOM 927 O ALA A 93 70.933 -1.991 17.809 1.00 2.18 O ATOM 928 CB ALA A 93 72.448 -0.436 15.779 1.00 2.23 C ATOM 0 H ALA A 93 73.155 0.245 18.015 1.00 1.94 H new ATOM 0 HA ALA A 93 70.791 0.882 16.326 1.00 2.07 H new ATOM 0 HB1 ALA A 93 71.931 -0.846 14.911 1.00 2.23 H new ATOM 0 HB2 ALA A 93 73.111 0.368 15.460 1.00 2.23 H new ATOM 0 HB3 ALA A 93 73.034 -1.221 16.257 1.00 2.23 H new ATOM 934 N GLN A 94 69.199 -0.852 17.027 1.00 2.43 N ATOM 935 CA GLN A 94 68.222 -1.929 17.385 1.00 2.75 C ATOM 936 C GLN A 94 67.473 -2.408 16.130 1.00 2.11 C ATOM 937 O GLN A 94 66.253 -2.430 16.090 1.00 2.28 O ATOM 938 CB GLN A 94 67.269 -1.268 18.387 1.00 3.82 C ATOM 939 CG GLN A 94 66.410 -2.341 19.060 1.00 4.61 C ATOM 940 CD GLN A 94 65.473 -1.686 20.077 1.00 5.43 C ATOM 941 OE1 GLN A 94 65.852 -0.755 20.760 1.00 5.70 O ATOM 942 NE2 GLN A 94 64.255 -2.136 20.207 1.00 6.15 N ATOM 0 H GLN A 94 68.783 -0.020 16.610 1.00 2.43 H new ATOM 0 HA GLN A 94 68.702 -2.812 17.807 1.00 2.75 H new ATOM 0 HB2 GLN A 94 67.837 -0.719 19.138 1.00 3.82 H new ATOM 0 HB3 GLN A 94 66.633 -0.545 17.877 1.00 3.82 H new ATOM 0 HG2 GLN A 94 65.830 -2.880 18.311 1.00 4.61 H new ATOM 0 HG3 GLN A 94 67.047 -3.073 19.556 1.00 4.61 H new ATOM 0 HE21 GLN A 94 63.936 -2.917 19.634 1.00 6.15 H new ATOM 0 HE22 GLN A 94 63.622 -1.706 20.881 1.00 6.15 H new ATOM 951 N LEU A 95 68.206 -2.794 15.108 1.00 1.86 N ATOM 952 CA LEU A 95 67.572 -3.249 13.832 1.00 1.23 C ATOM 953 C LEU A 95 68.518 -4.185 13.073 1.00 1.20 C ATOM 954 O LEU A 95 69.724 -4.113 13.234 1.00 1.55 O ATOM 955 CB LEU A 95 67.330 -1.965 13.035 1.00 1.14 C ATOM 956 CG LEU A 95 66.464 -2.277 11.813 1.00 1.09 C ATOM 957 CD1 LEU A 95 65.026 -2.548 12.260 1.00 1.38 C ATOM 958 CD2 LEU A 95 66.483 -1.083 10.856 1.00 1.76 C ATOM 0 H LEU A 95 69.226 -2.812 15.107 1.00 1.86 H new ATOM 0 HA LEU A 95 66.650 -3.805 14.002 1.00 1.23 H new ATOM 0 HB2 LEU A 95 66.837 -1.222 13.663 1.00 1.14 H new ATOM 0 HB3 LEU A 95 68.281 -1.536 12.720 1.00 1.14 H new ATOM 0 HG LEU A 95 66.858 -3.157 11.305 1.00 1.09 H new ATOM 0 HD11 LEU A 95 64.410 -2.770 11.389 1.00 1.38 H new ATOM 0 HD12 LEU A 95 65.011 -3.399 12.941 1.00 1.38 H new ATOM 0 HD13 LEU A 95 64.631 -1.669 12.769 1.00 1.38 H new ATOM 0 HD21 LEU A 95 65.866 -1.305 9.985 1.00 1.76 H new ATOM 0 HD22 LEU A 95 66.090 -0.203 11.365 1.00 1.76 H new ATOM 0 HD23 LEU A 95 67.507 -0.890 10.536 1.00 1.76 H new ATOM 970 N ARG A 96 67.973 -5.057 12.254 1.00 0.90 N ATOM 971 CA ARG A 96 68.824 -5.945 11.399 1.00 0.90 C ATOM 972 C ARG A 96 69.037 -5.302 10.027 1.00 0.67 C ATOM 973 O ARG A 96 68.085 -5.004 9.325 1.00 0.60 O ATOM 974 CB ARG A 96 68.036 -7.251 11.262 1.00 0.93 C ATOM 975 CG ARG A 96 67.968 -7.953 12.620 1.00 1.43 C ATOM 976 CD ARG A 96 67.275 -9.307 12.461 1.00 1.51 C ATOM 977 NE ARG A 96 68.229 -10.138 11.659 1.00 1.99 N ATOM 978 CZ ARG A 96 69.309 -10.686 12.191 1.00 2.47 C ATOM 979 NH1 ARG A 96 69.624 -10.544 13.460 1.00 2.92 N ATOM 980 NH2 ARG A 96 70.093 -11.396 11.426 1.00 2.98 N ATOM 0 H ARG A 96 66.968 -5.191 12.142 1.00 0.90 H new ATOM 0 HA ARG A 96 69.810 -6.112 11.833 1.00 0.90 H new ATOM 0 HB2 ARG A 96 67.030 -7.044 10.897 1.00 0.93 H new ATOM 0 HB3 ARG A 96 68.514 -7.901 10.529 1.00 0.93 H new ATOM 0 HG2 ARG A 96 68.972 -8.092 13.020 1.00 1.43 H new ATOM 0 HG3 ARG A 96 67.423 -7.335 13.334 1.00 1.43 H new ATOM 0 HD2 ARG A 96 67.072 -9.763 13.430 1.00 1.51 H new ATOM 0 HD3 ARG A 96 66.317 -9.203 11.951 1.00 1.51 H new ATOM 0 HE ARG A 96 68.039 -10.286 10.668 1.00 1.99 H new ATOM 0 HH11 ARG A 96 69.025 -9.994 14.076 1.00 2.92 H new ATOM 0 HH12 ARG A 96 70.467 -10.984 13.829 1.00 2.92 H new ATOM 0 HH21 ARG A 96 69.867 -11.519 10.439 1.00 2.98 H new ATOM 0 HH22 ARG A 96 70.931 -11.828 11.815 1.00 2.98 H new ATOM 994 N ARG A 97 70.277 -5.091 9.647 1.00 0.59 N ATOM 995 CA ARG A 97 70.577 -4.332 8.391 1.00 0.43 C ATOM 996 C ARG A 97 72.014 -4.604 7.923 1.00 0.38 C ATOM 997 O ARG A 97 72.825 -5.127 8.668 1.00 0.45 O ATOM 998 CB ARG A 97 70.364 -2.847 8.736 1.00 0.55 C ATOM 999 CG ARG A 97 71.326 -2.393 9.843 1.00 0.66 C ATOM 1000 CD ARG A 97 70.897 -1.020 10.369 1.00 0.68 C ATOM 1001 NE ARG A 97 72.107 -0.476 11.068 1.00 0.82 N ATOM 1002 CZ ARG A 97 72.505 -0.919 12.249 1.00 1.30 C ATOM 1003 NH1 ARG A 97 71.870 -1.871 12.898 1.00 2.21 N ATOM 1004 NH2 ARG A 97 73.570 -0.393 12.791 1.00 1.44 N ATOM 0 H ARG A 97 71.099 -5.415 10.158 1.00 0.59 H new ATOM 0 HA ARG A 97 69.929 -4.637 7.569 1.00 0.43 H new ATOM 0 HB2 ARG A 97 70.517 -2.238 7.845 1.00 0.55 H new ATOM 0 HB3 ARG A 97 69.334 -2.689 9.057 1.00 0.55 H new ATOM 0 HG2 ARG A 97 71.329 -3.120 10.656 1.00 0.66 H new ATOM 0 HG3 ARG A 97 72.344 -2.343 9.456 1.00 0.66 H new ATOM 0 HD2 ARG A 97 70.584 -0.366 9.555 1.00 0.68 H new ATOM 0 HD3 ARG A 97 70.052 -1.106 11.052 1.00 0.68 H new ATOM 0 HE ARG A 97 72.644 0.264 10.615 1.00 0.82 H new ATOM 0 HH11 ARG A 97 71.037 -2.297 12.492 1.00 2.21 H new ATOM 0 HH12 ARG A 97 72.211 -2.183 13.807 1.00 2.21 H new ATOM 0 HH21 ARG A 97 74.078 0.345 12.304 1.00 1.44 H new ATOM 0 HH22 ARG A 97 73.894 -0.720 13.701 1.00 1.44 H new ATOM 1018 N THR A 98 72.318 -4.249 6.696 1.00 0.30 N ATOM 1019 CA THR A 98 73.729 -4.315 6.202 1.00 0.31 C ATOM 1020 C THR A 98 74.121 -2.972 5.581 1.00 0.27 C ATOM 1021 O THR A 98 73.284 -2.275 5.035 1.00 0.23 O ATOM 1022 CB THR A 98 73.738 -5.420 5.142 1.00 0.35 C ATOM 1023 OG1 THR A 98 73.067 -6.567 5.645 1.00 0.40 O ATOM 1024 CG2 THR A 98 75.183 -5.784 4.798 1.00 0.40 C ATOM 0 H THR A 98 71.641 -3.913 6.011 1.00 0.30 H new ATOM 0 HA THR A 98 74.439 -4.523 7.002 1.00 0.31 H new ATOM 0 HB THR A 98 73.229 -5.067 4.245 1.00 0.35 H new ATOM 0 HG1 THR A 98 73.711 -7.150 6.098 1.00 0.40 H new ATOM 0 HG21 THR A 98 75.190 -6.571 4.043 1.00 0.40 H new ATOM 0 HG22 THR A 98 75.697 -4.905 4.410 1.00 0.40 H new ATOM 0 HG23 THR A 98 75.693 -6.137 5.695 1.00 0.40 H new ATOM 1032 N ILE A 99 75.382 -2.612 5.663 1.00 0.29 N ATOM 1033 CA ILE A 99 75.850 -1.313 5.083 1.00 0.25 C ATOM 1034 C ILE A 99 77.253 -1.480 4.477 1.00 0.28 C ATOM 1035 O ILE A 99 77.998 -2.364 4.862 1.00 0.44 O ATOM 1036 CB ILE A 99 75.831 -0.307 6.253 1.00 0.27 C ATOM 1037 CG1 ILE A 99 76.227 1.086 5.744 1.00 0.25 C ATOM 1038 CG2 ILE A 99 76.797 -0.737 7.366 1.00 0.33 C ATOM 1039 CD1 ILE A 99 75.885 2.141 6.799 1.00 0.29 C ATOM 0 H ILE A 99 76.111 -3.168 6.110 1.00 0.29 H new ATOM 0 HA ILE A 99 75.214 -0.962 4.270 1.00 0.25 H new ATOM 0 HB ILE A 99 74.821 -0.279 6.663 1.00 0.27 H new ATOM 0 HG12 ILE A 99 77.294 1.112 5.523 1.00 0.25 H new ATOM 0 HG13 ILE A 99 75.703 1.306 4.814 1.00 0.25 H new ATOM 0 HG21 ILE A 99 76.763 -0.010 8.178 1.00 0.33 H new ATOM 0 HG22 ILE A 99 76.504 -1.717 7.744 1.00 0.33 H new ATOM 0 HG23 ILE A 99 77.810 -0.790 6.968 1.00 0.33 H new ATOM 0 HD11 ILE A 99 76.168 3.128 6.432 1.00 0.29 H new ATOM 0 HD12 ILE A 99 74.814 2.122 6.999 1.00 0.29 H new ATOM 0 HD13 ILE A 99 76.429 1.926 7.719 1.00 0.29 H new ATOM 1051 N GLU A 100 77.600 -0.631 3.536 1.00 0.24 N ATOM 1052 CA GLU A 100 78.943 -0.713 2.882 1.00 0.24 C ATOM 1053 C GLU A 100 79.431 0.685 2.491 1.00 0.19 C ATOM 1054 O GLU A 100 78.638 1.592 2.307 1.00 0.21 O ATOM 1055 CB GLU A 100 78.727 -1.570 1.632 1.00 0.27 C ATOM 1056 CG GLU A 100 78.395 -3.007 2.042 1.00 0.37 C ATOM 1057 CD GLU A 100 78.464 -3.920 0.816 1.00 0.88 C ATOM 1058 OE1 GLU A 100 77.948 -3.532 -0.220 1.00 1.63 O ATOM 1059 OE2 GLU A 100 79.033 -4.993 0.933 1.00 1.38 O ATOM 0 H GLU A 100 77.003 0.121 3.192 1.00 0.24 H new ATOM 0 HA GLU A 100 79.696 -1.139 3.545 1.00 0.24 H new ATOM 0 HB2 GLU A 100 77.917 -1.157 1.032 1.00 0.27 H new ATOM 0 HB3 GLU A 100 79.623 -1.557 1.011 1.00 0.27 H new ATOM 0 HG2 GLU A 100 79.096 -3.350 2.803 1.00 0.37 H new ATOM 0 HG3 GLU A 100 77.399 -3.049 2.484 1.00 0.37 H new ATOM 1066 N CYS A 101 80.729 0.854 2.368 1.00 0.21 N ATOM 1067 CA CYS A 101 81.299 2.163 1.911 1.00 0.21 C ATOM 1068 C CYS A 101 82.511 1.922 1.002 1.00 0.19 C ATOM 1069 O CYS A 101 83.135 0.877 1.062 1.00 0.25 O ATOM 1070 CB CYS A 101 81.686 2.932 3.192 1.00 0.31 C ATOM 1071 SG CYS A 101 82.897 2.015 4.193 1.00 1.37 S ATOM 0 H CYS A 101 81.423 0.133 2.567 1.00 0.21 H new ATOM 0 HA CYS A 101 80.584 2.739 1.324 1.00 0.21 H new ATOM 0 HB2 CYS A 101 82.100 3.903 2.921 1.00 0.31 H new ATOM 0 HB3 CYS A 101 80.792 3.121 3.786 1.00 0.31 H new ATOM 1076 N CYS A 102 82.842 2.884 0.171 1.00 0.17 N ATOM 1077 CA CYS A 102 83.846 2.643 -0.920 1.00 0.20 C ATOM 1078 C CYS A 102 84.476 3.962 -1.382 1.00 0.25 C ATOM 1079 O CYS A 102 83.795 4.961 -1.533 1.00 0.31 O ATOM 1080 CB CYS A 102 83.083 1.951 -2.069 1.00 0.25 C ATOM 1081 SG CYS A 102 81.664 2.943 -2.628 1.00 0.41 S ATOM 0 H CYS A 102 82.459 3.829 0.201 1.00 0.17 H new ATOM 0 HA CYS A 102 84.668 2.018 -0.571 1.00 0.20 H new ATOM 0 HB2 CYS A 102 83.761 1.782 -2.906 1.00 0.25 H new ATOM 0 HB3 CYS A 102 82.735 0.973 -1.737 1.00 0.25 H new ATOM 1086 N ARG A 103 85.774 3.960 -1.604 1.00 0.27 N ATOM 1087 CA ARG A 103 86.493 5.212 -2.001 1.00 0.28 C ATOM 1088 C ARG A 103 86.996 5.109 -3.448 1.00 0.23 C ATOM 1089 O ARG A 103 88.123 5.466 -3.753 1.00 0.27 O ATOM 1090 CB ARG A 103 87.665 5.319 -1.019 1.00 0.36 C ATOM 1091 CG ARG A 103 87.135 5.580 0.393 1.00 0.65 C ATOM 1092 CD ARG A 103 88.296 5.992 1.306 1.00 0.73 C ATOM 1093 NE ARG A 103 88.759 7.328 0.797 1.00 1.21 N ATOM 1094 CZ ARG A 103 89.978 7.787 1.025 1.00 1.75 C ATOM 1095 NH1 ARG A 103 90.868 7.122 1.730 1.00 2.41 N ATOM 1096 NH2 ARG A 103 90.309 8.952 0.539 1.00 2.17 N ATOM 0 H ARG A 103 86.368 3.135 -1.525 1.00 0.27 H new ATOM 0 HA ARG A 103 85.848 6.090 -1.962 1.00 0.28 H new ATOM 0 HB2 ARG A 103 88.249 4.399 -1.034 1.00 0.36 H new ATOM 0 HB3 ARG A 103 88.333 6.126 -1.322 1.00 0.36 H new ATOM 0 HG2 ARG A 103 86.380 6.366 0.370 1.00 0.65 H new ATOM 0 HG3 ARG A 103 86.652 4.684 0.783 1.00 0.65 H new ATOM 0 HD2 ARG A 103 87.972 6.059 2.345 1.00 0.73 H new ATOM 0 HD3 ARG A 103 89.102 5.259 1.270 1.00 0.73 H new ATOM 0 HE ARG A 103 88.110 7.901 0.257 1.00 1.21 H new ATOM 0 HH11 ARG A 103 90.629 6.213 2.126 1.00 2.41 H new ATOM 0 HH12 ARG A 103 91.797 7.515 1.880 1.00 2.41 H new ATOM 0 HH21 ARG A 103 89.633 9.489 -0.004 1.00 2.17 H new ATOM 0 HH22 ARG A 103 91.244 9.326 0.702 1.00 2.17 H new ATOM 1110 N THR A 104 86.158 4.624 -4.336 1.00 0.20 N ATOM 1111 CA THR A 104 86.551 4.485 -5.773 1.00 0.20 C ATOM 1112 C THR A 104 85.380 4.864 -6.682 1.00 0.20 C ATOM 1113 O THR A 104 84.230 4.743 -6.304 1.00 0.21 O ATOM 1114 CB THR A 104 86.917 3.009 -5.944 1.00 0.25 C ATOM 1115 OG1 THR A 104 85.879 2.200 -5.412 1.00 0.27 O ATOM 1116 CG2 THR A 104 88.223 2.717 -5.204 1.00 0.27 C ATOM 0 H THR A 104 85.209 4.316 -4.122 1.00 0.20 H new ATOM 0 HA THR A 104 87.380 5.141 -6.040 1.00 0.20 H new ATOM 0 HB THR A 104 87.044 2.787 -7.003 1.00 0.25 H new ATOM 0 HG1 THR A 104 85.623 1.521 -6.071 1.00 0.27 H new ATOM 0 HG21 THR A 104 88.483 1.666 -5.326 1.00 0.27 H new ATOM 0 HG22 THR A 104 89.020 3.338 -5.613 1.00 0.27 H new ATOM 0 HG23 THR A 104 88.098 2.939 -4.144 1.00 0.27 H new ATOM 1124 N ASN A 105 85.671 5.314 -7.881 1.00 0.21 N ATOM 1125 CA ASN A 105 84.602 5.905 -8.756 1.00 0.23 C ATOM 1126 C ASN A 105 83.550 4.854 -9.135 1.00 0.23 C ATOM 1127 O ASN A 105 83.870 3.714 -9.417 1.00 0.24 O ATOM 1128 CB ASN A 105 85.319 6.457 -10.005 1.00 0.26 C ATOM 1129 CG ASN A 105 86.061 5.344 -10.765 1.00 0.26 C ATOM 1130 OD1 ASN A 105 86.360 4.299 -10.219 1.00 0.99 O ATOM 1131 ND2 ASN A 105 86.371 5.530 -12.019 1.00 1.02 N ATOM 0 H ASN A 105 86.604 5.298 -8.293 1.00 0.21 H new ATOM 0 HA ASN A 105 84.063 6.696 -8.235 1.00 0.23 H new ATOM 0 HB2 ASN A 105 84.591 6.928 -10.666 1.00 0.26 H new ATOM 0 HB3 ASN A 105 86.027 7.231 -9.708 1.00 0.26 H new ATOM 0 HD21 ASN A 105 86.862 4.801 -12.537 1.00 1.02 H new ATOM 0 HD22 ASN A 105 86.123 6.405 -12.481 1.00 1.02 H new ATOM 1138 N LEU A 106 82.290 5.247 -9.140 1.00 0.22 N ATOM 1139 CA LEU A 106 81.156 4.320 -9.493 1.00 0.22 C ATOM 1140 C LEU A 106 81.177 3.030 -8.659 1.00 0.20 C ATOM 1141 O LEU A 106 80.671 2.010 -9.099 1.00 0.23 O ATOM 1142 CB LEU A 106 81.326 3.987 -10.985 1.00 0.28 C ATOM 1143 CG LEU A 106 81.199 5.261 -11.829 1.00 0.33 C ATOM 1144 CD1 LEU A 106 81.912 5.059 -13.168 1.00 0.43 C ATOM 1145 CD2 LEU A 106 79.720 5.564 -12.082 1.00 0.38 C ATOM 0 H LEU A 106 81.995 6.195 -8.908 1.00 0.22 H new ATOM 0 HA LEU A 106 80.200 4.800 -9.283 1.00 0.22 H new ATOM 0 HB2 LEU A 106 82.299 3.526 -11.154 1.00 0.28 H new ATOM 0 HB3 LEU A 106 80.572 3.262 -11.292 1.00 0.28 H new ATOM 0 HG LEU A 106 81.654 6.095 -11.295 1.00 0.33 H new ATOM 0 HD11 LEU A 106 81.822 5.964 -13.768 1.00 0.43 H new ATOM 0 HD12 LEU A 106 82.966 4.845 -12.990 1.00 0.43 H new ATOM 0 HD13 LEU A 106 81.457 4.224 -13.700 1.00 0.43 H new ATOM 0 HD21 LEU A 106 79.632 6.470 -12.682 1.00 0.38 H new ATOM 0 HD22 LEU A 106 79.264 4.730 -12.615 1.00 0.38 H new ATOM 0 HD23 LEU A 106 79.210 5.709 -11.130 1.00 0.38 H new ATOM 1157 N CYS A 107 81.752 3.061 -7.472 1.00 0.19 N ATOM 1158 CA CYS A 107 81.645 1.873 -6.557 1.00 0.22 C ATOM 1159 C CYS A 107 80.199 1.682 -6.065 1.00 0.27 C ATOM 1160 O CYS A 107 79.809 0.581 -5.720 1.00 0.35 O ATOM 1161 CB CYS A 107 82.614 2.123 -5.385 1.00 0.24 C ATOM 1162 SG CYS A 107 82.183 3.623 -4.459 1.00 0.34 S ATOM 0 H CYS A 107 82.284 3.849 -7.102 1.00 0.19 H new ATOM 0 HA CYS A 107 81.911 0.954 -7.080 1.00 0.22 H new ATOM 0 HB2 CYS A 107 82.600 1.265 -4.713 1.00 0.24 H new ATOM 0 HB3 CYS A 107 83.631 2.212 -5.767 1.00 0.24 H new ATOM 1167 N ASN A 108 79.413 2.741 -6.034 1.00 0.27 N ATOM 1168 CA ASN A 108 77.987 2.620 -5.578 1.00 0.32 C ATOM 1169 C ASN A 108 77.103 2.097 -6.715 1.00 0.27 C ATOM 1170 O ASN A 108 76.147 1.379 -6.477 1.00 0.28 O ATOM 1171 CB ASN A 108 77.555 4.036 -5.167 1.00 0.50 C ATOM 1172 CG ASN A 108 77.855 4.266 -3.684 1.00 0.64 C ATOM 1173 OD1 ASN A 108 78.842 3.784 -3.168 1.00 0.41 O ATOM 1174 ND2 ASN A 108 77.035 4.989 -2.971 1.00 1.37 N ATOM 0 H ASN A 108 79.700 3.682 -6.305 1.00 0.27 H new ATOM 0 HA ASN A 108 77.890 1.917 -4.750 1.00 0.32 H new ATOM 0 HB2 ASN A 108 78.081 4.775 -5.772 1.00 0.50 H new ATOM 0 HB3 ASN A 108 76.490 4.169 -5.356 1.00 0.50 H new ATOM 0 HD21 ASN A 108 77.224 5.148 -1.981 1.00 1.37 H new ATOM 0 HD22 ASN A 108 76.205 5.395 -3.403 1.00 1.37 H new ATOM 1181 N GLN A 109 77.420 2.451 -7.942 1.00 0.30 N ATOM 1182 CA GLN A 109 76.564 2.039 -9.110 1.00 0.35 C ATOM 1183 C GLN A 109 76.548 0.512 -9.262 1.00 0.34 C ATOM 1184 O GLN A 109 75.513 -0.075 -9.527 1.00 0.38 O ATOM 1185 CB GLN A 109 77.203 2.684 -10.346 1.00 0.43 C ATOM 1186 CG GLN A 109 76.253 2.555 -11.539 1.00 0.53 C ATOM 1187 CD GLN A 109 76.943 3.082 -12.799 1.00 0.68 C ATOM 1188 OE1 GLN A 109 78.003 2.616 -13.165 1.00 1.33 O ATOM 1189 NE2 GLN A 109 76.381 4.041 -13.482 1.00 1.23 N ATOM 0 H GLN A 109 78.238 3.010 -8.187 1.00 0.30 H new ATOM 0 HA GLN A 109 75.531 2.358 -8.973 1.00 0.35 H new ATOM 0 HB2 GLN A 109 77.418 3.735 -10.151 1.00 0.43 H new ATOM 0 HB3 GLN A 109 78.154 2.201 -10.571 1.00 0.43 H new ATOM 0 HG2 GLN A 109 75.965 1.513 -11.678 1.00 0.53 H new ATOM 0 HG3 GLN A 109 75.338 3.116 -11.351 1.00 0.53 H new ATOM 0 HE21 GLN A 109 75.491 4.432 -13.174 1.00 1.23 H new ATOM 0 HE22 GLN A 109 76.832 4.400 -14.324 1.00 1.23 H new ATOM 1198 N TYR A 110 77.687 -0.122 -9.093 1.00 0.33 N ATOM 1199 CA TYR A 110 77.791 -1.596 -9.340 1.00 0.37 C ATOM 1200 C TYR A 110 77.791 -2.399 -8.028 1.00 0.33 C ATOM 1201 O TYR A 110 78.160 -3.561 -8.026 1.00 0.38 O ATOM 1202 CB TYR A 110 79.126 -1.773 -10.064 1.00 0.40 C ATOM 1203 CG TYR A 110 79.180 -1.086 -11.408 1.00 0.45 C ATOM 1204 CD1 TYR A 110 78.338 -1.533 -12.474 1.00 0.53 C ATOM 1205 CD2 TYR A 110 80.072 0.012 -11.615 1.00 0.45 C ATOM 1206 CE1 TYR A 110 78.389 -0.883 -13.746 1.00 0.59 C ATOM 1207 CE2 TYR A 110 80.123 0.662 -12.887 1.00 0.51 C ATOM 1208 CZ TYR A 110 79.281 0.215 -13.952 1.00 0.57 C ATOM 1209 OH TYR A 110 79.330 0.842 -15.180 1.00 0.64 O ATOM 0 H TYR A 110 78.554 0.323 -8.792 1.00 0.33 H new ATOM 0 HA TYR A 110 76.941 -1.962 -9.916 1.00 0.37 H new ATOM 0 HB2 TYR A 110 79.926 -1.384 -9.434 1.00 0.40 H new ATOM 0 HB3 TYR A 110 79.317 -2.837 -10.201 1.00 0.40 H new ATOM 0 HD1 TYR A 110 77.663 -2.362 -12.318 1.00 0.53 H new ATOM 0 HD2 TYR A 110 80.707 0.350 -10.810 1.00 0.45 H new ATOM 0 HE1 TYR A 110 77.754 -1.221 -14.551 1.00 0.59 H new ATOM 0 HE2 TYR A 110 80.798 1.491 -13.043 1.00 0.51 H new ATOM 0 HH TYR A 110 78.945 1.740 -15.104 1.00 0.64 H new ATOM 1219 N LEU A 111 77.385 -1.801 -6.925 1.00 0.27 N ATOM 1220 CA LEU A 111 77.431 -2.511 -5.607 1.00 0.25 C ATOM 1221 C LEU A 111 76.054 -2.478 -4.934 1.00 0.28 C ATOM 1222 O LEU A 111 75.608 -1.440 -4.477 1.00 0.31 O ATOM 1223 CB LEU A 111 78.457 -1.733 -4.778 1.00 0.23 C ATOM 1224 CG LEU A 111 78.741 -2.478 -3.471 1.00 0.24 C ATOM 1225 CD1 LEU A 111 79.761 -3.589 -3.728 1.00 0.28 C ATOM 1226 CD2 LEU A 111 79.304 -1.499 -2.438 1.00 0.25 C ATOM 0 H LEU A 111 77.023 -0.848 -6.886 1.00 0.27 H new ATOM 0 HA LEU A 111 77.702 -3.562 -5.712 1.00 0.25 H new ATOM 0 HB2 LEU A 111 79.380 -1.611 -5.346 1.00 0.23 H new ATOM 0 HB3 LEU A 111 78.081 -0.733 -4.563 1.00 0.23 H new ATOM 0 HG LEU A 111 77.816 -2.914 -3.093 1.00 0.24 H new ATOM 0 HD11 LEU A 111 79.963 -4.120 -2.798 1.00 0.28 H new ATOM 0 HD12 LEU A 111 79.361 -4.287 -4.464 1.00 0.28 H new ATOM 0 HD13 LEU A 111 80.686 -3.153 -4.106 1.00 0.28 H new ATOM 0 HD21 LEU A 111 79.506 -2.029 -1.507 1.00 0.25 H new ATOM 0 HD22 LEU A 111 80.229 -1.063 -2.816 1.00 0.25 H new ATOM 0 HD23 LEU A 111 78.578 -0.707 -2.254 1.00 0.25 H new ATOM 1238 N GLN A 112 75.388 -3.610 -4.879 1.00 0.29 N ATOM 1239 CA GLN A 112 74.108 -3.713 -4.111 1.00 0.33 C ATOM 1240 C GLN A 112 74.374 -4.326 -2.720 1.00 0.29 C ATOM 1241 O GLN A 112 74.871 -5.436 -2.653 1.00 0.27 O ATOM 1242 CB GLN A 112 73.228 -4.650 -4.940 1.00 0.38 C ATOM 1243 CG GLN A 112 71.764 -4.473 -4.530 1.00 0.44 C ATOM 1244 CD GLN A 112 70.906 -5.527 -5.233 1.00 1.13 C ATOM 1245 OE1 GLN A 112 71.190 -6.706 -5.161 1.00 1.83 O ATOM 1246 NE2 GLN A 112 69.860 -5.149 -5.915 1.00 1.79 N ATOM 0 H GLN A 112 75.681 -4.472 -5.338 1.00 0.29 H new ATOM 0 HA GLN A 112 73.641 -2.741 -3.952 1.00 0.33 H new ATOM 0 HB2 GLN A 112 73.348 -4.434 -6.002 1.00 0.38 H new ATOM 0 HB3 GLN A 112 73.536 -5.684 -4.788 1.00 0.38 H new ATOM 0 HG2 GLN A 112 71.664 -4.569 -3.449 1.00 0.44 H new ATOM 0 HG3 GLN A 112 71.420 -3.473 -4.794 1.00 0.44 H new ATOM 0 HE21 GLN A 112 69.621 -4.159 -5.976 1.00 1.79 H new ATOM 0 HE22 GLN A 112 69.281 -5.843 -6.387 1.00 1.79 H new ATOM 1255 N PRO A 113 74.046 -3.609 -1.648 1.00 0.30 N ATOM 1256 CA PRO A 113 74.208 -4.185 -0.281 1.00 0.29 C ATOM 1257 C PRO A 113 73.214 -5.332 -0.065 1.00 0.34 C ATOM 1258 O PRO A 113 72.054 -5.227 -0.422 1.00 0.43 O ATOM 1259 CB PRO A 113 73.906 -3.014 0.657 1.00 0.33 C ATOM 1260 CG PRO A 113 73.091 -2.063 -0.155 1.00 0.50 C ATOM 1261 CD PRO A 113 73.515 -2.232 -1.587 1.00 0.37 C ATOM 0 HA PRO A 113 75.200 -4.604 -0.112 1.00 0.29 H new ATOM 0 HB2 PRO A 113 73.360 -3.347 1.539 1.00 0.33 H new ATOM 0 HB3 PRO A 113 74.824 -2.544 1.009 1.00 0.33 H new ATOM 0 HG2 PRO A 113 72.027 -2.272 -0.041 1.00 0.50 H new ATOM 0 HG3 PRO A 113 73.252 -1.037 0.176 1.00 0.50 H new ATOM 0 HD2 PRO A 113 72.675 -2.098 -2.269 1.00 0.37 H new ATOM 0 HD3 PRO A 113 74.273 -1.500 -1.867 1.00 0.37 H new ATOM 1269 N THR A 114 73.670 -6.420 0.518 1.00 0.36 N ATOM 1270 CA THR A 114 72.778 -7.595 0.761 1.00 0.44 C ATOM 1271 C THR A 114 73.059 -8.196 2.142 1.00 0.36 C ATOM 1272 O THR A 114 74.171 -8.125 2.636 1.00 0.39 O ATOM 1273 CB THR A 114 73.126 -8.597 -0.343 1.00 0.62 C ATOM 1274 OG1 THR A 114 74.529 -8.816 -0.355 1.00 0.65 O ATOM 1275 CG2 THR A 114 72.681 -8.042 -1.697 1.00 0.76 C ATOM 0 H THR A 114 74.631 -6.541 0.837 1.00 0.36 H new ATOM 0 HA THR A 114 71.723 -7.322 0.742 1.00 0.44 H new ATOM 0 HB THR A 114 72.613 -9.540 -0.154 1.00 0.62 H new ATOM 0 HG1 THR A 114 74.754 -9.459 -1.060 1.00 0.65 H new ATOM 0 HG21 THR A 114 72.929 -8.756 -2.482 1.00 0.76 H new ATOM 0 HG22 THR A 114 71.604 -7.875 -1.686 1.00 0.76 H new ATOM 0 HG23 THR A 114 73.192 -7.099 -1.889 1.00 0.76 H new ATOM 1283 N LEU A 115 72.056 -8.782 2.758 1.00 0.34 N ATOM 1284 CA LEU A 115 72.250 -9.419 4.104 1.00 0.38 C ATOM 1285 C LEU A 115 73.106 -10.691 3.965 1.00 0.54 C ATOM 1286 O LEU A 115 73.096 -11.304 2.913 1.00 0.62 O ATOM 1287 CB LEU A 115 70.847 -9.774 4.610 1.00 0.44 C ATOM 1288 CG LEU A 115 70.131 -8.500 5.063 1.00 0.46 C ATOM 1289 CD1 LEU A 115 68.623 -8.753 5.117 1.00 0.60 C ATOM 1290 CD2 LEU A 115 70.630 -8.103 6.454 1.00 0.56 C ATOM 0 H LEU A 115 71.109 -8.847 2.385 1.00 0.34 H new ATOM 0 HA LEU A 115 72.764 -8.752 4.796 1.00 0.38 H new ATOM 0 HB2 LEU A 115 70.277 -10.263 3.820 1.00 0.44 H new ATOM 0 HB3 LEU A 115 70.915 -10.480 5.438 1.00 0.44 H new ATOM 0 HG LEU A 115 70.340 -7.696 4.357 1.00 0.46 H new ATOM 0 HD11 LEU A 115 68.113 -7.845 5.440 1.00 0.60 H new ATOM 0 HD12 LEU A 115 68.266 -9.037 4.127 1.00 0.60 H new ATOM 0 HD13 LEU A 115 68.414 -9.557 5.823 1.00 0.60 H new ATOM 0 HD21 LEU A 115 70.121 -7.195 6.778 1.00 0.56 H new ATOM 0 HD22 LEU A 115 70.421 -8.908 7.159 1.00 0.56 H new ATOM 0 HD23 LEU A 115 71.704 -7.923 6.417 1.00 0.56 H new ATOM 1302 N PRO A 116 73.823 -11.059 5.021 1.00 0.74 N ATOM 1303 CA PRO A 116 74.738 -12.233 4.939 1.00 0.94 C ATOM 1304 C PRO A 116 73.927 -13.535 4.786 1.00 1.01 C ATOM 1305 O PRO A 116 72.823 -13.612 5.294 1.00 1.08 O ATOM 1306 CB PRO A 116 75.493 -12.211 6.270 1.00 1.26 C ATOM 1307 CG PRO A 116 74.626 -11.429 7.200 1.00 1.18 C ATOM 1308 CD PRO A 116 73.858 -10.444 6.364 1.00 0.93 C ATOM 0 HA PRO A 116 75.410 -12.189 4.082 1.00 0.94 H new ATOM 0 HB2 PRO A 116 75.661 -13.221 6.644 1.00 1.26 H new ATOM 0 HB3 PRO A 116 76.472 -11.745 6.159 1.00 1.26 H new ATOM 0 HG2 PRO A 116 73.947 -12.089 7.740 1.00 1.18 H new ATOM 0 HG3 PRO A 116 75.229 -10.913 7.947 1.00 1.18 H new ATOM 0 HD2 PRO A 116 72.853 -10.287 6.756 1.00 0.93 H new ATOM 0 HD3 PRO A 116 74.348 -9.471 6.344 1.00 0.93 H new ATOM 1316 N PRO A 117 74.487 -14.523 4.096 1.00 1.16 N ATOM 1317 CA PRO A 117 73.769 -15.817 3.916 1.00 1.38 C ATOM 1318 C PRO A 117 73.687 -16.569 5.249 1.00 1.69 C ATOM 1319 O PRO A 117 74.381 -16.237 6.194 1.00 1.87 O ATOM 1320 CB PRO A 117 74.630 -16.581 2.908 1.00 1.55 C ATOM 1321 CG PRO A 117 75.991 -15.978 3.020 1.00 1.44 C ATOM 1322 CD PRO A 117 75.806 -14.544 3.429 1.00 1.30 C ATOM 0 HA PRO A 117 72.742 -15.691 3.572 1.00 1.38 H new ATOM 0 HB2 PRO A 117 74.651 -17.647 3.136 1.00 1.55 H new ATOM 0 HB3 PRO A 117 74.236 -16.479 1.897 1.00 1.55 H new ATOM 0 HG2 PRO A 117 76.591 -16.514 3.756 1.00 1.44 H new ATOM 0 HG3 PRO A 117 76.520 -16.042 2.069 1.00 1.44 H new ATOM 0 HD2 PRO A 117 76.598 -14.217 4.103 1.00 1.30 H new ATOM 0 HD3 PRO A 117 75.826 -13.878 2.566 1.00 1.30 H new ATOM 1330 N VAL A 118 72.843 -17.574 5.321 1.00 1.93 N ATOM 1331 CA VAL A 118 72.710 -18.380 6.581 1.00 2.34 C ATOM 1332 C VAL A 118 73.873 -19.379 6.662 1.00 2.78 C ATOM 1333 O VAL A 118 74.553 -19.620 5.680 1.00 3.02 O ATOM 1334 CB VAL A 118 71.359 -19.122 6.488 1.00 2.59 C ATOM 1335 CG1 VAL A 118 71.092 -19.894 7.784 1.00 3.05 C ATOM 1336 CG2 VAL A 118 70.212 -18.125 6.273 1.00 2.58 C ATOM 0 H VAL A 118 72.237 -17.872 4.557 1.00 1.93 H new ATOM 0 HA VAL A 118 72.740 -17.754 7.473 1.00 2.34 H new ATOM 0 HB VAL A 118 71.410 -19.811 5.645 1.00 2.59 H new ATOM 0 HG11 VAL A 118 70.137 -20.414 7.708 1.00 3.05 H new ATOM 0 HG12 VAL A 118 71.888 -20.620 7.945 1.00 3.05 H new ATOM 0 HG13 VAL A 118 71.060 -19.198 8.622 1.00 3.05 H new ATOM 0 HG21 VAL A 118 69.267 -18.665 6.210 1.00 2.58 H new ATOM 0 HG22 VAL A 118 70.175 -17.427 7.109 1.00 2.58 H new ATOM 0 HG23 VAL A 118 70.378 -17.574 5.347 1.00 2.58 H new ATOM 1346 N VAL A 119 74.097 -19.952 7.824 1.00 3.20 N ATOM 1347 CA VAL A 119 75.238 -20.908 8.008 1.00 3.78 C ATOM 1348 C VAL A 119 74.839 -21.982 9.030 1.00 4.31 C ATOM 1349 O VAL A 119 74.029 -21.738 9.907 1.00 4.52 O ATOM 1350 CB VAL A 119 76.420 -20.060 8.525 1.00 4.18 C ATOM 1351 CG1 VAL A 119 77.649 -20.948 8.771 1.00 4.69 C ATOM 1352 CG2 VAL A 119 76.794 -18.991 7.491 1.00 4.68 C ATOM 0 H VAL A 119 73.533 -19.796 8.659 1.00 3.20 H new ATOM 0 HA VAL A 119 75.506 -21.421 7.084 1.00 3.78 H new ATOM 0 HB VAL A 119 76.114 -19.587 9.458 1.00 4.18 H new ATOM 0 HG11 VAL A 119 78.474 -20.335 9.135 1.00 4.69 H new ATOM 0 HG12 VAL A 119 77.406 -21.708 9.514 1.00 4.69 H new ATOM 0 HG13 VAL A 119 77.941 -21.432 7.839 1.00 4.69 H new ATOM 0 HG21 VAL A 119 77.629 -18.399 7.866 1.00 4.68 H new ATOM 0 HG22 VAL A 119 77.082 -19.473 6.557 1.00 4.68 H new ATOM 0 HG23 VAL A 119 75.938 -18.340 7.314 1.00 4.68 H new ATOM 1362 N ILE A 120 75.409 -23.159 8.911 1.00 4.81 N ATOM 1363 CA ILE A 120 75.199 -24.227 9.941 1.00 5.63 C ATOM 1364 C ILE A 120 76.465 -25.083 10.074 1.00 6.20 C ATOM 1365 O ILE A 120 77.094 -25.430 9.090 1.00 6.55 O ATOM 1366 CB ILE A 120 73.997 -25.068 9.464 1.00 6.00 C ATOM 1367 CG1 ILE A 120 74.237 -25.634 8.054 1.00 6.61 C ATOM 1368 CG2 ILE A 120 72.741 -24.192 9.450 1.00 6.27 C ATOM 1369 CD1 ILE A 120 73.174 -26.689 7.735 1.00 7.26 C ATOM 0 H ILE A 120 76.016 -23.427 8.137 1.00 4.81 H new ATOM 0 HA ILE A 120 74.998 -23.805 10.925 1.00 5.63 H new ATOM 0 HB ILE A 120 73.869 -25.904 10.152 1.00 6.00 H new ATOM 0 HG12 ILE A 120 74.199 -24.831 7.318 1.00 6.61 H new ATOM 0 HG13 ILE A 120 75.232 -26.076 7.993 1.00 6.61 H new ATOM 0 HG21 ILE A 120 71.889 -24.783 9.113 1.00 6.27 H new ATOM 0 HG22 ILE A 120 72.548 -23.817 10.455 1.00 6.27 H new ATOM 0 HG23 ILE A 120 72.891 -23.352 8.772 1.00 6.27 H new ATOM 0 HD11 ILE A 120 73.346 -27.088 6.736 1.00 7.26 H new ATOM 0 HD12 ILE A 120 73.233 -27.497 8.464 1.00 7.26 H new ATOM 0 HD13 ILE A 120 72.185 -26.233 7.778 1.00 7.26 H new ATOM 1381 N GLY A 121 76.837 -25.412 11.291 1.00 6.54 N ATOM 1382 CA GLY A 121 78.030 -26.284 11.523 1.00 7.25 C ATOM 1383 C GLY A 121 77.687 -27.737 11.152 1.00 7.58 C ATOM 1384 O GLY A 121 78.367 -28.320 10.328 1.00 7.75 O ATOM 0 H GLY A 121 76.359 -25.109 12.139 1.00 6.54 H new ATOM 0 HA2 GLY A 121 78.871 -25.934 10.924 1.00 7.25 H new ATOM 0 HA3 GLY A 121 78.337 -26.227 12.567 1.00 7.25 H new ATOM 1388 N PRO A 122 76.645 -28.291 11.761 1.00 7.95 N ATOM 1389 CA PRO A 122 76.255 -29.715 11.490 1.00 8.58 C ATOM 1390 C PRO A 122 75.959 -29.944 10.000 1.00 8.62 C ATOM 1391 O PRO A 122 75.562 -29.031 9.297 1.00 8.37 O ATOM 1392 CB PRO A 122 74.982 -29.890 12.323 1.00 9.09 C ATOM 1393 CG PRO A 122 75.133 -28.889 13.415 1.00 8.90 C ATOM 1394 CD PRO A 122 75.733 -27.685 12.756 1.00 8.14 C ATOM 0 HA PRO A 122 77.044 -30.423 11.743 1.00 8.58 H new ATOM 0 HB2 PRO A 122 74.087 -29.703 11.730 1.00 9.09 H new ATOM 0 HB3 PRO A 122 74.898 -30.903 12.717 1.00 9.09 H new ATOM 0 HG2 PRO A 122 74.171 -28.652 13.869 1.00 8.90 H new ATOM 0 HG3 PRO A 122 75.777 -29.266 14.210 1.00 8.90 H new ATOM 0 HD2 PRO A 122 74.975 -27.059 12.285 1.00 8.14 H new ATOM 0 HD3 PRO A 122 76.268 -27.056 13.468 1.00 8.14 H new ATOM 1402 N PHE A 123 76.155 -31.155 9.528 1.00 9.20 N ATOM 1403 CA PHE A 123 75.889 -31.475 8.091 1.00 9.56 C ATOM 1404 C PHE A 123 75.592 -32.970 7.926 1.00 10.26 C ATOM 1405 O PHE A 123 75.898 -33.766 8.798 1.00 10.72 O ATOM 1406 CB PHE A 123 77.169 -31.082 7.343 1.00 9.93 C ATOM 1407 CG PHE A 123 78.412 -31.805 7.816 1.00 10.47 C ATOM 1408 CD1 PHE A 123 79.206 -31.250 8.866 1.00 10.75 C ATOM 1409 CD2 PHE A 123 78.791 -33.044 7.212 1.00 10.92 C ATOM 1410 CE1 PHE A 123 80.379 -31.933 9.313 1.00 11.48 C ATOM 1411 CE2 PHE A 123 79.964 -33.728 7.659 1.00 11.67 C ATOM 1412 CZ PHE A 123 80.758 -33.172 8.709 1.00 11.95 C ATOM 0 H PHE A 123 76.491 -31.941 10.085 1.00 9.20 H new ATOM 0 HA PHE A 123 75.022 -30.940 7.704 1.00 9.56 H new ATOM 0 HB2 PHE A 123 77.030 -31.279 6.280 1.00 9.93 H new ATOM 0 HB3 PHE A 123 77.324 -30.008 7.450 1.00 9.93 H new ATOM 0 HD1 PHE A 123 78.920 -30.314 9.322 1.00 10.75 H new ATOM 0 HD2 PHE A 123 78.191 -33.463 6.418 1.00 10.92 H new ATOM 0 HE1 PHE A 123 80.979 -31.513 10.107 1.00 11.48 H new ATOM 0 HE2 PHE A 123 80.250 -34.664 7.203 1.00 11.67 H new ATOM 0 HZ PHE A 123 81.645 -33.688 9.046 1.00 11.95 H new ATOM 1422 N PHE A 124 74.999 -33.346 6.814 1.00 10.54 N ATOM 1423 CA PHE A 124 74.678 -34.785 6.560 1.00 11.40 C ATOM 1424 C PHE A 124 74.570 -35.042 5.053 1.00 12.01 C ATOM 1425 O PHE A 124 74.399 -34.118 4.276 1.00 12.01 O ATOM 1426 CB PHE A 124 73.342 -35.044 7.267 1.00 11.50 C ATOM 1427 CG PHE A 124 72.209 -34.164 6.788 1.00 11.23 C ATOM 1428 CD1 PHE A 124 71.965 -32.905 7.420 1.00 11.37 C ATOM 1429 CD2 PHE A 124 71.382 -34.590 5.703 1.00 11.08 C ATOM 1430 CE1 PHE A 124 70.895 -32.073 6.968 1.00 11.39 C ATOM 1431 CE2 PHE A 124 70.312 -33.758 5.250 1.00 11.10 C ATOM 1432 CZ PHE A 124 70.068 -32.500 5.882 1.00 11.28 C ATOM 0 H PHE A 124 74.723 -32.709 6.067 1.00 10.54 H new ATOM 0 HA PHE A 124 75.454 -35.452 6.936 1.00 11.40 H new ATOM 0 HB2 PHE A 124 73.063 -36.088 7.122 1.00 11.50 H new ATOM 0 HB3 PHE A 124 73.475 -34.895 8.339 1.00 11.50 H new ATOM 0 HD1 PHE A 124 72.590 -32.583 8.240 1.00 11.37 H new ATOM 0 HD2 PHE A 124 71.566 -35.541 5.225 1.00 11.08 H new ATOM 0 HE1 PHE A 124 70.711 -31.122 7.446 1.00 11.39 H new ATOM 0 HE2 PHE A 124 69.688 -34.080 4.430 1.00 11.10 H new ATOM 0 HZ PHE A 124 69.259 -31.872 5.540 1.00 11.28 H new ATOM 1442 N ASP A 125 74.669 -36.288 4.646 1.00 12.68 N ATOM 1443 CA ASP A 125 74.580 -36.630 3.188 1.00 13.44 C ATOM 1444 C ASP A 125 73.114 -36.763 2.766 1.00 14.05 C ATOM 1445 O ASP A 125 72.390 -37.595 3.284 1.00 14.42 O ATOM 1446 CB ASP A 125 75.303 -37.971 3.033 1.00 13.68 C ATOM 1447 CG ASP A 125 76.795 -37.785 3.319 1.00 13.44 C ATOM 1448 OD1 ASP A 125 77.180 -37.929 4.468 1.00 13.38 O ATOM 1449 OD2 ASP A 125 77.526 -37.501 2.385 1.00 13.47 O ATOM 0 H ASP A 125 74.808 -37.087 5.265 1.00 12.68 H new ATOM 0 HA ASP A 125 75.028 -35.858 2.562 1.00 13.44 H new ATOM 0 HB2 ASP A 125 74.880 -38.705 3.718 1.00 13.68 H new ATOM 0 HB3 ASP A 125 75.161 -38.358 2.024 1.00 13.68 H new ATOM 1454 N GLY A 126 72.681 -35.947 1.830 1.00 14.28 N ATOM 1455 CA GLY A 126 71.267 -36.008 1.343 1.00 15.02 C ATOM 1456 C GLY A 126 71.246 -36.469 -0.117 1.00 15.45 C ATOM 1457 O GLY A 126 70.395 -37.247 -0.511 1.00 15.73 O ATOM 0 H GLY A 126 73.256 -35.235 1.380 1.00 14.28 H new ATOM 0 HA2 GLY A 126 70.688 -36.695 1.960 1.00 15.02 H new ATOM 0 HA3 GLY A 126 70.798 -35.028 1.432 1.00 15.02 H new ATOM 1461 N SER A 127 72.179 -35.993 -0.912 1.00 15.68 N ATOM 1462 CA SER A 127 72.232 -36.379 -2.356 1.00 16.28 C ATOM 1463 C SER A 127 73.658 -36.222 -2.891 1.00 16.53 C ATOM 1464 O SER A 127 74.526 -35.709 -2.207 1.00 16.28 O ATOM 1465 CB SER A 127 71.278 -35.416 -3.064 1.00 16.52 C ATOM 1466 OG SER A 127 69.966 -35.588 -2.546 1.00 16.63 O ATOM 0 H SER A 127 72.911 -35.348 -0.616 1.00 15.68 H new ATOM 0 HA SER A 127 71.946 -37.419 -2.517 1.00 16.28 H new ATOM 0 HB2 SER A 127 71.607 -34.387 -2.918 1.00 16.52 H new ATOM 0 HB3 SER A 127 71.285 -35.603 -4.138 1.00 16.52 H new ATOM 0 HG SER A 127 69.919 -36.431 -2.048 1.00 16.63 H new ATOM 1472 N ILE A 128 73.895 -36.662 -4.107 1.00 17.15 N ATOM 1473 CA ILE A 128 75.263 -36.551 -4.714 1.00 17.60 C ATOM 1474 C ILE A 128 75.386 -35.203 -5.438 1.00 18.15 C ATOM 1475 O ILE A 128 74.511 -34.816 -6.190 1.00 18.55 O ATOM 1476 CB ILE A 128 75.383 -37.731 -5.703 1.00 18.17 C ATOM 1477 CG1 ILE A 128 75.213 -39.064 -4.961 1.00 17.77 C ATOM 1478 CG2 ILE A 128 76.763 -37.721 -6.374 1.00 18.79 C ATOM 1479 CD1 ILE A 128 74.985 -40.189 -5.973 1.00 18.25 C ATOM 0 H ILE A 128 73.195 -37.096 -4.708 1.00 17.15 H new ATOM 0 HA ILE A 128 76.057 -36.593 -3.969 1.00 17.60 H new ATOM 0 HB ILE A 128 74.603 -37.624 -6.457 1.00 18.17 H new ATOM 0 HG12 ILE A 128 76.099 -39.274 -4.362 1.00 17.77 H new ATOM 0 HG13 ILE A 128 74.370 -39.004 -4.273 1.00 17.77 H new ATOM 0 HG21 ILE A 128 76.836 -38.558 -7.069 1.00 18.79 H new ATOM 0 HG22 ILE A 128 76.897 -36.785 -6.917 1.00 18.79 H new ATOM 0 HG23 ILE A 128 77.538 -37.813 -5.613 1.00 18.79 H new ATOM 0 HD11 ILE A 128 74.865 -41.135 -5.445 1.00 18.25 H new ATOM 0 HD12 ILE A 128 74.086 -39.980 -6.553 1.00 18.25 H new ATOM 0 HD13 ILE A 128 75.842 -40.255 -6.643 1.00 18.25 H new ATOM 1491 N ARG A 129 76.475 -34.490 -5.213 1.00 18.31 N ATOM 1492 CA ARG A 129 76.695 -33.135 -5.839 1.00 18.99 C ATOM 1493 C ARG A 129 75.519 -32.186 -5.555 1.00 19.85 C ATOM 1494 O ARG A 129 74.523 -32.272 -6.256 1.00 20.32 O ATOM 1495 CB ARG A 129 76.847 -33.383 -7.348 1.00 18.81 C ATOM 1496 CG ARG A 129 77.338 -32.104 -8.029 1.00 19.53 C ATOM 1497 CD ARG A 129 77.429 -32.332 -9.542 1.00 19.55 C ATOM 1498 NE ARG A 129 78.019 -31.071 -10.109 1.00 19.87 N ATOM 1499 CZ ARG A 129 78.642 -31.045 -11.275 1.00 20.23 C ATOM 1500 NH1 ARG A 129 78.777 -32.112 -12.033 1.00 20.73 N ATOM 1501 NH2 ARG A 129 79.137 -29.913 -11.695 1.00 20.18 N ATOM 1502 OXT ARG A 129 75.638 -31.390 -4.638 1.00 20.13 O ATOM 0 H ARG A 129 77.237 -34.798 -4.608 1.00 18.31 H new ATOM 0 HA ARG A 129 77.579 -32.653 -5.422 1.00 18.99 H new ATOM 0 HB2 ARG A 129 77.552 -34.195 -7.525 1.00 18.81 H new ATOM 0 HB3 ARG A 129 75.892 -33.691 -7.775 1.00 18.81 H new ATOM 0 HG2 ARG A 129 76.656 -31.281 -7.815 1.00 19.53 H new ATOM 0 HG3 ARG A 129 78.314 -31.821 -7.634 1.00 19.53 H new ATOM 0 HD2 ARG A 129 78.055 -33.194 -9.771 1.00 19.55 H new ATOM 0 HD3 ARG A 129 76.445 -32.530 -9.968 1.00 19.55 H new ATOM 0 HE ARG A 129 77.936 -30.205 -9.576 1.00 19.87 H new ATOM 0 HH11 ARG A 129 78.393 -33.006 -11.728 1.00 20.73 H new ATOM 0 HH12 ARG A 129 79.266 -32.045 -12.926 1.00 20.73 H new ATOM 0 HH21 ARG A 129 79.039 -29.072 -11.127 1.00 20.18 H new ATOM 0 HH22 ARG A 129 79.622 -29.870 -12.591 1.00 20.18 H new TER 1516 ARG A 129