USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 651 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 11 ASN : amide:sc= 0.107 K(o=0.42,f=-2.6!) USER MOD Set 1.2: A 70 TYR OH : rot -28:sc= 0.308 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -172:sc= -0.0394 (180deg=-0.176) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 1.04 (180deg=1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 32 TYR OH : rot -37:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HE2:sc= 0.0755 K(o=0.076,f=-0.57) USER MOD Single : A 50 MET CE :methyl 163:sc= -2.35 (180deg=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 2.03 (180deg=2.01) USER MOD Single : A 60 LYS NZ :NH3+ -106:sc= 0.868 (180deg=-0.735) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -115:sc= 0 (180deg=-0.291) USER MOD Single : A 78 LYS NZ :NH3+ -118:sc= 1.35 (180deg=-0.189) USER MOD Single : A 80 GLN : amide:sc= -0.497 K(o=-0.5,f=-2.3) USER MOD Single : A 82 MET CE :methyl 157:sc= -0.0484 (180deg=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.153 7.738 2.448 1.00 11.05 N ATOM 2 CA GLY A 1 -18.614 6.902 1.328 1.00 62.54 C ATOM 3 C GLY A 1 -17.453 6.500 0.441 1.00 2.24 C ATOM 4 O GLY A 1 -16.824 7.368 -0.155 1.00 55.13 O ATOM 0 H1 GLY A 1 -18.965 8.001 3.042 1.00 11.05 H new ATOM 0 H2 GLY A 1 -17.465 7.206 3.018 1.00 11.05 H new ATOM 0 H3 GLY A 1 -17.703 8.599 2.076 1.00 11.05 H new ATOM 0 HA2 GLY A 1 -19.108 6.010 1.714 1.00 62.54 H new ATOM 0 HA3 GLY A 1 -19.353 7.448 0.742 1.00 62.54 H new ATOM 8 N MET A 2 -17.173 5.197 0.344 1.00 75.21 N ATOM 9 CA MET A 2 -16.081 4.576 -0.416 1.00 20.31 C ATOM 10 C MET A 2 -14.723 5.242 -0.194 1.00 21.30 C ATOM 11 O MET A 2 -13.917 5.329 -1.116 1.00 24.41 O ATOM 12 CB MET A 2 -16.401 4.501 -1.918 1.00 2.21 C ATOM 13 CG MET A 2 -17.739 3.868 -2.274 1.00 31.33 C ATOM 14 SD MET A 2 -17.832 3.510 -4.042 1.00 12.15 S ATOM 15 CE MET A 2 -19.550 3.977 -4.316 1.00 42.42 C ATOM 0 H MET A 2 -17.741 4.500 0.826 1.00 75.21 H new ATOM 0 HA MET A 2 -16.001 3.562 -0.023 1.00 20.31 H new ATOM 0 HB2 MET A 2 -16.377 5.511 -2.327 1.00 2.21 H new ATOM 0 HB3 MET A 2 -15.610 3.937 -2.412 1.00 2.21 H new ATOM 0 HG2 MET A 2 -17.874 2.948 -1.705 1.00 31.33 H new ATOM 0 HG3 MET A 2 -18.550 4.539 -1.992 1.00 31.33 H new ATOM 0 HE1 MET A 2 -19.805 3.826 -5.365 1.00 42.42 H new ATOM 0 HE2 MET A 2 -20.198 3.361 -3.692 1.00 42.42 H new ATOM 0 HE3 MET A 2 -19.687 5.027 -4.057 1.00 42.42 H new ATOM 25 N GLN A 3 -14.462 5.733 1.016 1.00 34.51 N ATOM 26 CA GLN A 3 -13.335 6.621 1.270 1.00 40.24 C ATOM 27 C GLN A 3 -12.524 6.235 2.492 1.00 43.35 C ATOM 28 O GLN A 3 -11.444 6.773 2.657 1.00 32.51 O ATOM 29 CB GLN A 3 -13.843 8.066 1.343 1.00 31.51 C ATOM 30 CG GLN A 3 -14.017 8.676 -0.056 1.00 71.45 C ATOM 31 CD GLN A 3 -12.930 9.692 -0.353 1.00 44.43 C ATOM 32 OE1 GLN A 3 -13.150 10.893 -0.207 1.00 72.53 O ATOM 33 NE2 GLN A 3 -11.754 9.256 -0.766 1.00 74.35 N ATOM 0 H GLN A 3 -15.024 5.527 1.842 1.00 34.51 H new ATOM 0 HA GLN A 3 -12.637 6.525 0.438 1.00 40.24 H new ATOM 0 HB2 GLN A 3 -14.795 8.091 1.872 1.00 31.51 H new ATOM 0 HB3 GLN A 3 -13.142 8.670 1.919 1.00 31.51 H new ATOM 0 HG2 GLN A 3 -13.993 7.885 -0.806 1.00 71.45 H new ATOM 0 HG3 GLN A 3 -14.994 9.154 -0.128 1.00 71.45 H new ATOM 0 HE21 GLN A 3 -11.593 8.255 -0.880 1.00 74.35 H new ATOM 0 HE22 GLN A 3 -11.007 9.920 -0.971 1.00 74.35 H new ATOM 42 N PHE A 4 -12.984 5.274 3.288 1.00 74.23 N ATOM 43 CA PHE A 4 -12.270 4.725 4.437 1.00 53.01 C ATOM 44 C PHE A 4 -12.140 3.226 4.239 1.00 15.31 C ATOM 45 O PHE A 4 -11.051 2.658 4.243 1.00 71.44 O ATOM 46 CB PHE A 4 -13.047 5.013 5.717 1.00 23.43 C ATOM 47 CG PHE A 4 -12.502 6.126 6.586 1.00 41.01 C ATOM 48 CD1 PHE A 4 -12.020 7.321 6.019 1.00 22.33 C ATOM 49 CD2 PHE A 4 -12.456 5.948 7.979 1.00 54.12 C ATOM 50 CE1 PHE A 4 -11.474 8.323 6.835 1.00 71.43 C ATOM 51 CE2 PHE A 4 -11.946 6.975 8.798 1.00 71.01 C ATOM 52 CZ PHE A 4 -11.444 8.157 8.228 1.00 42.13 C ATOM 0 H PHE A 4 -13.896 4.841 3.146 1.00 74.23 H new ATOM 0 HA PHE A 4 -11.284 5.182 4.521 1.00 53.01 H new ATOM 0 HB2 PHE A 4 -14.074 5.259 5.448 1.00 23.43 H new ATOM 0 HB3 PHE A 4 -13.083 4.099 6.311 1.00 23.43 H new ATOM 0 HD1 PHE A 4 -12.071 7.467 4.950 1.00 22.33 H new ATOM 0 HD2 PHE A 4 -12.810 5.028 8.420 1.00 54.12 H new ATOM 0 HE1 PHE A 4 -11.076 9.223 6.390 1.00 71.43 H new ATOM 0 HE2 PHE A 4 -11.941 6.853 9.871 1.00 71.01 H new ATOM 0 HZ PHE A 4 -11.037 8.934 8.859 1.00 42.13 H new ATOM 62 N LYS A 5 -13.278 2.573 3.981 1.00 53.05 N ATOM 63 CA LYS A 5 -13.290 1.148 3.688 1.00 24.24 C ATOM 64 C LYS A 5 -12.372 0.844 2.503 1.00 24.32 C ATOM 65 O LYS A 5 -11.573 -0.097 2.542 1.00 43.23 O ATOM 66 CB LYS A 5 -14.726 0.680 3.409 1.00 1.41 C ATOM 67 CG LYS A 5 -15.434 0.308 4.718 1.00 42.44 C ATOM 68 CD LYS A 5 -14.923 -1.020 5.296 1.00 72.14 C ATOM 69 CE LYS A 5 -14.186 -0.799 6.612 1.00 74.31 C ATOM 70 NZ LYS A 5 -15.084 -0.510 7.742 1.00 30.33 N ATOM 0 H LYS A 5 -14.198 3.013 3.971 1.00 53.05 H new ATOM 0 HA LYS A 5 -12.916 0.602 4.554 1.00 24.24 H new ATOM 0 HB2 LYS A 5 -15.280 1.469 2.901 1.00 1.41 H new ATOM 0 HB3 LYS A 5 -14.711 -0.180 2.740 1.00 1.41 H new ATOM 0 HG2 LYS A 5 -15.284 1.102 5.449 1.00 42.44 H new ATOM 0 HG3 LYS A 5 -16.507 0.236 4.541 1.00 42.44 H new ATOM 0 HD2 LYS A 5 -15.762 -1.698 5.455 1.00 72.14 H new ATOM 0 HD3 LYS A 5 -14.257 -1.500 4.579 1.00 72.14 H new ATOM 0 HE2 LYS A 5 -13.596 -1.686 6.843 1.00 74.31 H new ATOM 0 HE3 LYS A 5 -13.485 0.027 6.493 1.00 74.31 H new ATOM 0 HZ1 LYS A 5 -14.521 -0.370 8.605 1.00 30.33 H new ATOM 0 HZ2 LYS A 5 -15.629 0.352 7.540 1.00 30.33 H new ATOM 0 HZ3 LYS A 5 -15.737 -1.308 7.880 1.00 30.33 H new ATOM 84 N ALA A 6 -12.494 1.675 1.463 1.00 4.23 N ATOM 85 CA ALA A 6 -11.681 1.638 0.262 1.00 64.42 C ATOM 86 C ALA A 6 -10.213 1.946 0.562 1.00 13.31 C ATOM 87 O ALA A 6 -9.326 1.267 0.040 1.00 13.32 O ATOM 88 CB ALA A 6 -12.239 2.628 -0.762 1.00 20.50 C ATOM 0 H ALA A 6 -13.192 2.418 1.443 1.00 4.23 H new ATOM 0 HA ALA A 6 -11.721 0.629 -0.147 1.00 64.42 H new ATOM 0 HB1 ALA A 6 -11.629 2.601 -1.665 1.00 20.50 H new ATOM 0 HB2 ALA A 6 -13.265 2.356 -1.009 1.00 20.50 H new ATOM 0 HB3 ALA A 6 -12.222 3.634 -0.343 1.00 20.50 H new ATOM 94 N GLU A 7 -9.962 2.969 1.380 1.00 40.42 N ATOM 95 CA GLU A 7 -8.635 3.423 1.780 1.00 0.21 C ATOM 96 C GLU A 7 -7.847 2.262 2.377 1.00 34.22 C ATOM 97 O GLU A 7 -6.822 1.856 1.835 1.00 44.12 O ATOM 98 CB GLU A 7 -8.776 4.567 2.796 1.00 2.42 C ATOM 99 CG GLU A 7 -8.569 5.945 2.163 1.00 23.43 C ATOM 100 CD GLU A 7 -8.575 7.061 3.218 1.00 73.03 C ATOM 101 OE1 GLU A 7 -8.781 6.771 4.420 1.00 31.30 O ATOM 102 OE2 GLU A 7 -8.349 8.228 2.839 1.00 63.12 O ATOM 0 H GLU A 7 -10.709 3.524 1.797 1.00 40.42 H new ATOM 0 HA GLU A 7 -8.092 3.790 0.909 1.00 0.21 H new ATOM 0 HB2 GLU A 7 -9.766 4.525 3.250 1.00 2.42 H new ATOM 0 HB3 GLU A 7 -8.051 4.427 3.598 1.00 2.42 H new ATOM 0 HG2 GLU A 7 -7.622 5.959 1.624 1.00 23.43 H new ATOM 0 HG3 GLU A 7 -9.355 6.131 1.432 1.00 23.43 H new ATOM 109 N ALA A 8 -8.366 1.661 3.449 1.00 33.14 N ATOM 110 CA ALA A 8 -7.692 0.582 4.155 1.00 71.33 C ATOM 111 C ALA A 8 -7.296 -0.564 3.216 1.00 45.52 C ATOM 112 O ALA A 8 -6.226 -1.148 3.401 1.00 63.11 O ATOM 113 CB ALA A 8 -8.611 0.076 5.268 1.00 63.11 C ATOM 0 H ALA A 8 -9.269 1.914 3.850 1.00 33.14 H new ATOM 0 HA ALA A 8 -6.766 0.969 4.580 1.00 71.33 H new ATOM 0 HB1 ALA A 8 -8.119 -0.734 5.806 1.00 63.11 H new ATOM 0 HB2 ALA A 8 -8.829 0.891 5.958 1.00 63.11 H new ATOM 0 HB3 ALA A 8 -9.541 -0.290 4.833 1.00 63.11 H new ATOM 119 N ARG A 9 -8.121 -0.899 2.213 1.00 2.14 N ATOM 120 CA ARG A 9 -7.794 -1.952 1.249 1.00 53.45 C ATOM 121 C ARG A 9 -6.733 -1.482 0.253 1.00 65.25 C ATOM 122 O ARG A 9 -5.840 -2.263 -0.083 1.00 70.31 O ATOM 123 CB ARG A 9 -9.071 -2.438 0.536 1.00 3.50 C ATOM 124 CG ARG A 9 -8.837 -3.659 -0.372 1.00 30.13 C ATOM 125 CD ARG A 9 -8.531 -4.965 0.367 1.00 51.25 C ATOM 126 NE ARG A 9 -9.731 -5.656 0.893 1.00 13.32 N ATOM 127 CZ ARG A 9 -9.846 -6.988 0.997 1.00 21.45 C ATOM 128 NH1 ARG A 9 -8.797 -7.737 0.681 1.00 62.41 N ATOM 129 NH2 ARG A 9 -10.975 -7.578 1.380 1.00 30.25 N ATOM 0 H ARG A 9 -9.023 -0.451 2.051 1.00 2.14 H new ATOM 0 HA ARG A 9 -7.369 -2.797 1.791 1.00 53.45 H new ATOM 0 HB2 ARG A 9 -9.823 -2.690 1.284 1.00 3.50 H new ATOM 0 HB3 ARG A 9 -9.477 -1.622 -0.062 1.00 3.50 H new ATOM 0 HG2 ARG A 9 -9.722 -3.808 -0.991 1.00 30.13 H new ATOM 0 HG3 ARG A 9 -8.010 -3.438 -1.047 1.00 30.13 H new ATOM 0 HD2 ARG A 9 -8.004 -5.638 -0.309 1.00 51.25 H new ATOM 0 HD3 ARG A 9 -7.855 -4.752 1.195 1.00 51.25 H new ATOM 0 HE ARG A 9 -10.519 -5.083 1.195 1.00 13.32 H new ATOM 0 HH11 ARG A 9 -7.932 -7.297 0.368 1.00 62.41 H new ATOM 0 HH12 ARG A 9 -8.856 -8.753 0.751 1.00 62.41 H new ATOM 0 HH21 ARG A 9 -11.794 -7.014 1.607 1.00 30.25 H new ATOM 0 HH22 ARG A 9 -11.022 -8.595 1.447 1.00 30.25 H new ATOM 143 N ARG A 10 -6.807 -0.236 -0.236 1.00 34.10 N ATOM 144 CA ARG A 10 -5.801 0.361 -1.126 1.00 21.22 C ATOM 145 C ARG A 10 -4.449 0.238 -0.451 1.00 1.23 C ATOM 146 O ARG A 10 -3.516 -0.324 -1.025 1.00 12.43 O ATOM 147 CB ARG A 10 -6.201 1.814 -1.482 1.00 23.41 C ATOM 148 CG ARG A 10 -5.444 2.410 -2.683 1.00 20.00 C ATOM 149 CD ARG A 10 -4.148 3.158 -2.342 1.00 32.33 C ATOM 150 NE ARG A 10 -4.346 4.611 -2.207 1.00 12.33 N ATOM 151 CZ ARG A 10 -4.167 5.546 -3.156 1.00 74.21 C ATOM 152 NH1 ARG A 10 -3.773 5.230 -4.386 1.00 2.14 N ATOM 153 NH2 ARG A 10 -4.402 6.827 -2.917 1.00 23.34 N ATOM 0 H ARG A 10 -7.579 0.395 -0.021 1.00 34.10 H new ATOM 0 HA ARG A 10 -5.742 -0.163 -2.080 1.00 21.22 H new ATOM 0 HB2 ARG A 10 -7.270 1.842 -1.693 1.00 23.41 H new ATOM 0 HB3 ARG A 10 -6.031 2.448 -0.611 1.00 23.41 H new ATOM 0 HG2 ARG A 10 -5.206 1.604 -3.377 1.00 20.00 H new ATOM 0 HG3 ARG A 10 -6.111 3.095 -3.207 1.00 20.00 H new ATOM 0 HD2 ARG A 10 -3.740 2.764 -1.411 1.00 32.33 H new ATOM 0 HD3 ARG A 10 -3.409 2.967 -3.120 1.00 32.33 H new ATOM 0 HE ARG A 10 -4.653 4.944 -1.293 1.00 12.33 H new ATOM 0 HH11 ARG A 10 -3.598 4.255 -4.631 1.00 2.14 H new ATOM 0 HH12 ARG A 10 -3.646 5.962 -5.085 1.00 2.14 H new ATOM 0 HH21 ARG A 10 -4.726 7.123 -1.996 1.00 23.34 H new ATOM 0 HH22 ARG A 10 -4.259 7.518 -3.654 1.00 23.34 H new ATOM 167 N ASN A 11 -4.382 0.687 0.794 1.00 3.51 N ATOM 168 CA ASN A 11 -3.156 0.722 1.566 1.00 42.42 C ATOM 169 C ASN A 11 -2.706 -0.705 1.862 1.00 32.34 C ATOM 170 O ASN A 11 -1.530 -1.022 1.689 1.00 50.34 O ATOM 171 CB ASN A 11 -3.352 1.565 2.837 1.00 73.42 C ATOM 172 CG ASN A 11 -3.766 3.014 2.545 1.00 2.13 C ATOM 173 OD1 ASN A 11 -4.097 3.362 1.416 1.00 71.23 O ATOM 174 ND2 ASN A 11 -3.814 3.869 3.550 1.00 34.22 N ATOM 0 H ASN A 11 -5.193 1.042 1.301 1.00 3.51 H new ATOM 0 HA ASN A 11 -2.362 1.204 0.995 1.00 42.42 H new ATOM 0 HB2 ASN A 11 -4.112 1.096 3.462 1.00 73.42 H new ATOM 0 HB3 ASN A 11 -2.425 1.568 3.410 1.00 73.42 H new ATOM 0 HD21 ASN A 11 -4.128 4.826 3.391 1.00 34.22 H new ATOM 0 HD22 ASN A 11 -3.537 3.572 4.486 1.00 34.22 H new ATOM 181 N LYS A 12 -3.624 -1.610 2.249 1.00 71.43 N ATOM 182 CA LYS A 12 -3.294 -3.017 2.513 1.00 3.10 C ATOM 183 C LYS A 12 -2.575 -3.644 1.327 1.00 50.45 C ATOM 184 O LYS A 12 -1.465 -4.143 1.502 1.00 45.13 O ATOM 185 CB LYS A 12 -4.513 -3.868 2.894 1.00 31.04 C ATOM 186 CG LYS A 12 -4.059 -5.273 3.335 1.00 61.35 C ATOM 187 CD LYS A 12 -5.232 -6.202 3.639 1.00 51.12 C ATOM 188 CE LYS A 12 -4.732 -7.458 4.371 1.00 51.23 C ATOM 189 NZ LYS A 12 -5.842 -8.225 4.972 1.00 10.21 N ATOM 0 H LYS A 12 -4.609 -1.385 2.386 1.00 71.43 H new ATOM 0 HA LYS A 12 -2.630 -3.006 3.377 1.00 3.10 H new ATOM 0 HB2 LYS A 12 -5.066 -3.386 3.700 1.00 31.04 H new ATOM 0 HB3 LYS A 12 -5.192 -3.946 2.045 1.00 31.04 H new ATOM 0 HG2 LYS A 12 -3.445 -5.715 2.551 1.00 61.35 H new ATOM 0 HG3 LYS A 12 -3.430 -5.186 4.221 1.00 61.35 H new ATOM 0 HD2 LYS A 12 -5.968 -5.683 4.252 1.00 51.12 H new ATOM 0 HD3 LYS A 12 -5.732 -6.486 2.713 1.00 51.12 H new ATOM 0 HE2 LYS A 12 -4.189 -8.093 3.672 1.00 51.23 H new ATOM 0 HE3 LYS A 12 -4.028 -7.167 5.151 1.00 51.23 H new ATOM 0 HZ1 LYS A 12 -5.462 -9.064 5.456 1.00 10.21 H new ATOM 0 HZ2 LYS A 12 -6.345 -7.627 5.658 1.00 10.21 H new ATOM 0 HZ3 LYS A 12 -6.501 -8.525 4.225 1.00 10.21 H new ATOM 203 N LEU A 13 -3.199 -3.626 0.145 1.00 65.11 N ATOM 204 CA LEU A 13 -2.678 -4.325 -1.025 1.00 3.22 C ATOM 205 C LEU A 13 -1.233 -3.938 -1.316 1.00 43.51 C ATOM 206 O LEU A 13 -0.440 -4.808 -1.683 1.00 54.22 O ATOM 207 CB LEU A 13 -3.536 -4.038 -2.268 1.00 50.13 C ATOM 208 CG LEU A 13 -4.657 -5.039 -2.560 1.00 22.00 C ATOM 209 CD1 LEU A 13 -5.377 -4.568 -3.829 1.00 41.55 C ATOM 210 CD2 LEU A 13 -4.065 -6.434 -2.792 1.00 45.54 C ATOM 0 H LEU A 13 -4.074 -3.129 -0.023 1.00 65.11 H new ATOM 0 HA LEU A 13 -2.716 -5.390 -0.796 1.00 3.22 H new ATOM 0 HB2 LEU A 13 -3.980 -3.049 -2.157 1.00 50.13 H new ATOM 0 HB3 LEU A 13 -2.878 -3.997 -3.136 1.00 50.13 H new ATOM 0 HG LEU A 13 -5.349 -5.093 -1.719 1.00 22.00 H new ATOM 0 HD11 LEU A 13 -6.185 -5.260 -4.067 1.00 41.55 H new ATOM 0 HD12 LEU A 13 -5.789 -3.572 -3.665 1.00 41.55 H new ATOM 0 HD13 LEU A 13 -4.670 -4.536 -4.658 1.00 41.55 H new ATOM 0 HD21 LEU A 13 -4.869 -7.141 -2.999 1.00 45.54 H new ATOM 0 HD22 LEU A 13 -3.382 -6.403 -3.641 1.00 45.54 H new ATOM 0 HD23 LEU A 13 -3.523 -6.752 -1.901 1.00 45.54 H new ATOM 222 N MET A 14 -0.890 -2.653 -1.156 1.00 53.35 N ATOM 223 CA MET A 14 0.444 -2.169 -1.435 1.00 32.11 C ATOM 224 C MET A 14 1.461 -2.917 -0.583 1.00 70.41 C ATOM 225 O MET A 14 2.368 -3.540 -1.125 1.00 71.21 O ATOM 226 CB MET A 14 0.483 -0.657 -1.212 1.00 44.24 C ATOM 227 CG MET A 14 1.837 -0.076 -1.606 1.00 14.13 C ATOM 228 SD MET A 14 2.333 -0.352 -3.321 1.00 2.13 S ATOM 229 CE MET A 14 3.786 0.711 -3.234 1.00 33.33 C ATOM 0 H MET A 14 -1.535 -1.933 -0.831 1.00 53.35 H new ATOM 0 HA MET A 14 0.709 -2.358 -2.475 1.00 32.11 H new ATOM 0 HB2 MET A 14 -0.304 -0.180 -1.796 1.00 44.24 H new ATOM 0 HB3 MET A 14 0.281 -0.436 -0.164 1.00 44.24 H new ATOM 0 HG2 MET A 14 1.820 0.998 -1.419 1.00 14.13 H new ATOM 0 HG3 MET A 14 2.599 -0.501 -0.953 1.00 14.13 H new ATOM 0 HE1 MET A 14 4.210 0.830 -4.231 1.00 33.33 H new ATOM 0 HE2 MET A 14 3.500 1.687 -2.843 1.00 33.33 H new ATOM 0 HE3 MET A 14 4.528 0.260 -2.576 1.00 33.33 H new ATOM 239 N GLY A 15 1.295 -2.922 0.739 1.00 12.44 N ATOM 240 CA GLY A 15 2.265 -3.511 1.653 1.00 54.43 C ATOM 241 C GLY A 15 2.527 -4.986 1.400 1.00 22.14 C ATOM 242 O GLY A 15 3.652 -5.419 1.621 1.00 22.10 O ATOM 0 H GLY A 15 0.483 -2.517 1.204 1.00 12.44 H new ATOM 0 HA2 GLY A 15 3.205 -2.965 1.572 1.00 54.43 H new ATOM 0 HA3 GLY A 15 1.910 -3.385 2.676 1.00 54.43 H new ATOM 246 N LEU A 16 1.542 -5.748 0.910 1.00 73.24 N ATOM 247 CA LEU A 16 1.776 -7.137 0.539 1.00 1.11 C ATOM 248 C LEU A 16 2.776 -7.217 -0.617 1.00 70.43 C ATOM 249 O LEU A 16 3.673 -8.058 -0.572 1.00 71.03 O ATOM 250 CB LEU A 16 0.464 -7.849 0.166 1.00 30.33 C ATOM 251 CG LEU A 16 -0.407 -8.396 1.315 1.00 22.23 C ATOM 252 CD1 LEU A 16 0.375 -9.109 2.426 1.00 65.11 C ATOM 253 CD2 LEU A 16 -1.281 -7.307 1.935 1.00 74.22 C ATOM 0 H LEU A 16 0.586 -5.425 0.764 1.00 73.24 H new ATOM 0 HA LEU A 16 2.196 -7.648 1.405 1.00 1.11 H new ATOM 0 HB2 LEU A 16 -0.143 -7.152 -0.412 1.00 30.33 H new ATOM 0 HB3 LEU A 16 0.710 -8.681 -0.494 1.00 30.33 H new ATOM 0 HG LEU A 16 -1.034 -9.148 0.835 1.00 22.23 H new ATOM 0 HD11 LEU A 16 -0.318 -9.460 3.191 1.00 65.11 H new ATOM 0 HD12 LEU A 16 0.912 -9.959 2.005 1.00 65.11 H new ATOM 0 HD13 LEU A 16 1.087 -8.415 2.873 1.00 65.11 H new ATOM 0 HD21 LEU A 16 -1.879 -7.735 2.740 1.00 74.22 H new ATOM 0 HD22 LEU A 16 -0.647 -6.515 2.334 1.00 74.22 H new ATOM 0 HD23 LEU A 16 -1.942 -6.893 1.173 1.00 74.22 H new ATOM 265 N TRP A 17 2.648 -6.355 -1.634 1.00 73.24 N ATOM 266 CA TRP A 17 3.623 -6.273 -2.726 1.00 30.23 C ATOM 267 C TRP A 17 4.986 -5.838 -2.192 1.00 64.45 C ATOM 268 O TRP A 17 5.978 -6.498 -2.477 1.00 41.23 O ATOM 269 CB TRP A 17 3.156 -5.333 -3.848 1.00 73.23 C ATOM 270 CG TRP A 17 4.183 -5.071 -4.914 1.00 51.41 C ATOM 271 CD1 TRP A 17 4.526 -5.924 -5.906 1.00 13.51 C ATOM 272 CD2 TRP A 17 5.015 -3.884 -5.121 1.00 42.13 C ATOM 273 NE1 TRP A 17 5.503 -5.357 -6.696 1.00 41.23 N ATOM 274 CE2 TRP A 17 5.801 -4.080 -6.294 1.00 25.30 C ATOM 275 CE3 TRP A 17 5.156 -2.640 -4.472 1.00 33.20 C ATOM 276 CZ2 TRP A 17 6.645 -3.095 -6.821 1.00 2.23 C ATOM 277 CZ3 TRP A 17 6.005 -1.644 -4.991 1.00 12.51 C ATOM 278 CH2 TRP A 17 6.743 -1.861 -6.167 1.00 20.13 C ATOM 0 H TRP A 17 1.871 -5.700 -1.722 1.00 73.24 H new ATOM 0 HA TRP A 17 3.714 -7.270 -3.158 1.00 30.23 H new ATOM 0 HB2 TRP A 17 2.268 -5.759 -4.315 1.00 73.23 H new ATOM 0 HB3 TRP A 17 2.859 -4.382 -3.407 1.00 73.23 H new ATOM 0 HD1 TRP A 17 4.098 -6.904 -6.057 1.00 13.51 H new ATOM 0 HE1 TRP A 17 5.949 -5.829 -7.482 1.00 41.23 H new ATOM 0 HE3 TRP A 17 4.605 -2.448 -3.563 1.00 33.20 H new ATOM 0 HZ2 TRP A 17 7.213 -3.285 -7.720 1.00 2.23 H new ATOM 0 HZ3 TRP A 17 6.090 -0.698 -4.477 1.00 12.51 H new ATOM 0 HH2 TRP A 17 7.380 -1.083 -6.562 1.00 20.13 H new ATOM 289 N VAL A 18 5.047 -4.763 -1.402 1.00 25.21 N ATOM 290 CA VAL A 18 6.306 -4.252 -0.856 1.00 63.11 C ATOM 291 C VAL A 18 7.029 -5.371 -0.098 1.00 10.34 C ATOM 292 O VAL A 18 8.211 -5.613 -0.318 1.00 13.11 O ATOM 293 CB VAL A 18 6.046 -3.051 0.068 1.00 71.04 C ATOM 294 CG1 VAL A 18 7.362 -2.461 0.594 1.00 43.45 C ATOM 295 CG2 VAL A 18 5.246 -1.921 -0.593 1.00 21.42 C ATOM 0 H VAL A 18 4.227 -4.224 -1.124 1.00 25.21 H new ATOM 0 HA VAL A 18 6.939 -3.914 -1.677 1.00 63.11 H new ATOM 0 HB VAL A 18 5.447 -3.454 0.885 1.00 71.04 H new ATOM 0 HG11 VAL A 18 7.146 -1.613 1.244 1.00 43.45 H new ATOM 0 HG12 VAL A 18 7.903 -3.222 1.157 1.00 43.45 H new ATOM 0 HG13 VAL A 18 7.973 -2.128 -0.245 1.00 43.45 H new ATOM 0 HG21 VAL A 18 5.103 -1.110 0.121 1.00 21.42 H new ATOM 0 HG22 VAL A 18 5.791 -1.549 -1.460 1.00 21.42 H new ATOM 0 HG23 VAL A 18 4.275 -2.300 -0.910 1.00 21.42 H new ATOM 305 N ALA A 19 6.314 -6.075 0.777 1.00 32.43 N ATOM 306 CA ALA A 19 6.810 -7.222 1.509 1.00 30.02 C ATOM 307 C ALA A 19 7.335 -8.309 0.567 1.00 43.24 C ATOM 308 O ALA A 19 8.451 -8.787 0.742 1.00 30.34 O ATOM 309 CB ALA A 19 5.683 -7.741 2.397 1.00 32.41 C ATOM 0 H ALA A 19 5.344 -5.850 0.998 1.00 32.43 H new ATOM 0 HA ALA A 19 7.657 -6.926 2.127 1.00 30.02 H new ATOM 0 HB1 ALA A 19 6.032 -8.607 2.960 1.00 32.41 H new ATOM 0 HB2 ALA A 19 5.376 -6.958 3.090 1.00 32.41 H new ATOM 0 HB3 ALA A 19 4.835 -8.030 1.777 1.00 32.41 H new ATOM 315 N GLU A 20 6.556 -8.694 -0.437 1.00 10.22 N ATOM 316 CA GLU A 20 6.936 -9.705 -1.414 1.00 52.54 C ATOM 317 C GLU A 20 8.222 -9.316 -2.151 1.00 11.34 C ATOM 318 O GLU A 20 9.110 -10.157 -2.293 1.00 53.24 O ATOM 319 CB GLU A 20 5.728 -9.907 -2.328 1.00 74.13 C ATOM 320 CG GLU A 20 5.947 -10.660 -3.641 1.00 12.34 C ATOM 321 CD GLU A 20 4.605 -10.835 -4.359 1.00 41.45 C ATOM 322 OE1 GLU A 20 3.887 -9.836 -4.601 1.00 32.21 O ATOM 323 OE2 GLU A 20 4.217 -11.984 -4.669 1.00 64.05 O ATOM 0 H GLU A 20 5.627 -8.305 -0.597 1.00 10.22 H new ATOM 0 HA GLU A 20 7.183 -10.654 -0.939 1.00 52.54 H new ATOM 0 HB2 GLU A 20 4.963 -10.438 -1.761 1.00 74.13 H new ATOM 0 HB3 GLU A 20 5.322 -8.925 -2.569 1.00 74.13 H new ATOM 0 HG2 GLU A 20 6.642 -10.111 -4.276 1.00 12.34 H new ATOM 0 HG3 GLU A 20 6.396 -11.634 -3.444 1.00 12.34 H new ATOM 330 N VAL A 21 8.358 -8.050 -2.551 1.00 43.14 N ATOM 331 CA VAL A 21 9.571 -7.489 -3.138 1.00 4.44 C ATOM 332 C VAL A 21 10.729 -7.543 -2.133 1.00 23.00 C ATOM 333 O VAL A 21 11.858 -7.854 -2.520 1.00 31.40 O ATOM 334 CB VAL A 21 9.283 -6.046 -3.604 1.00 61.05 C ATOM 335 CG1 VAL A 21 10.551 -5.290 -4.012 1.00 41.45 C ATOM 336 CG2 VAL A 21 8.320 -6.000 -4.799 1.00 12.50 C ATOM 0 H VAL A 21 7.603 -7.369 -2.472 1.00 43.14 H new ATOM 0 HA VAL A 21 9.872 -8.079 -4.003 1.00 4.44 H new ATOM 0 HB VAL A 21 8.831 -5.566 -2.736 1.00 61.05 H new ATOM 0 HG11 VAL A 21 10.287 -4.282 -4.330 1.00 41.45 H new ATOM 0 HG12 VAL A 21 11.231 -5.236 -3.162 1.00 41.45 H new ATOM 0 HG13 VAL A 21 11.038 -5.814 -4.834 1.00 41.45 H new ATOM 0 HG21 VAL A 21 8.149 -4.963 -5.089 1.00 12.50 H new ATOM 0 HG22 VAL A 21 8.754 -6.545 -5.637 1.00 12.50 H new ATOM 0 HG23 VAL A 21 7.372 -6.460 -4.520 1.00 12.50 H new ATOM 346 N LEU A 22 10.480 -7.226 -0.857 1.00 1.23 N ATOM 347 CA LEU A 22 11.488 -7.308 0.196 1.00 45.12 C ATOM 348 C LEU A 22 11.987 -8.740 0.365 1.00 53.53 C ATOM 349 O LEU A 22 13.118 -8.911 0.815 1.00 62.44 O ATOM 350 CB LEU A 22 10.964 -6.798 1.557 1.00 30.03 C ATOM 351 CG LEU A 22 10.897 -5.270 1.707 1.00 73.02 C ATOM 352 CD1 LEU A 22 10.108 -4.887 2.965 1.00 44.15 C ATOM 353 CD2 LEU A 22 12.298 -4.664 1.802 1.00 32.10 C ATOM 0 H LEU A 22 9.569 -6.905 -0.529 1.00 1.23 H new ATOM 0 HA LEU A 22 12.308 -6.663 -0.120 1.00 45.12 H new ATOM 0 HB2 LEU A 22 9.966 -7.206 1.719 1.00 30.03 H new ATOM 0 HB3 LEU A 22 11.603 -7.196 2.345 1.00 30.03 H new ATOM 0 HG LEU A 22 10.395 -4.877 0.822 1.00 73.02 H new ATOM 0 HD11 LEU A 22 10.071 -3.801 3.055 1.00 44.15 H new ATOM 0 HD12 LEU A 22 9.094 -5.280 2.892 1.00 44.15 H new ATOM 0 HD13 LEU A 22 10.598 -5.307 3.844 1.00 44.15 H new ATOM 0 HD21 LEU A 22 12.220 -3.582 1.907 1.00 32.10 H new ATOM 0 HD22 LEU A 22 12.815 -5.077 2.668 1.00 32.10 H new ATOM 0 HD23 LEU A 22 12.859 -4.901 0.898 1.00 32.10 H new ATOM 365 N GLY A 23 11.191 -9.756 0.016 1.00 13.52 N ATOM 366 CA GLY A 23 11.461 -11.124 0.437 1.00 12.53 C ATOM 367 C GLY A 23 10.920 -11.383 1.844 1.00 71.02 C ATOM 368 O GLY A 23 11.250 -12.395 2.468 1.00 50.55 O ATOM 0 H GLY A 23 10.354 -9.651 -0.558 1.00 13.52 H new ATOM 0 HA2 GLY A 23 11.004 -11.821 -0.266 1.00 12.53 H new ATOM 0 HA3 GLY A 23 12.535 -11.309 0.417 1.00 12.53 H new ATOM 372 N LYS A 24 10.069 -10.491 2.365 1.00 63.02 N ATOM 373 CA LYS A 24 9.145 -10.866 3.422 1.00 25.21 C ATOM 374 C LYS A 24 8.113 -11.801 2.807 1.00 53.22 C ATOM 375 O LYS A 24 7.859 -11.772 1.598 1.00 50.23 O ATOM 376 CB LYS A 24 8.441 -9.648 4.013 1.00 52.32 C ATOM 377 CG LYS A 24 9.329 -8.753 4.875 1.00 43.45 C ATOM 378 CD LYS A 24 8.509 -7.534 5.318 1.00 2.30 C ATOM 379 CE LYS A 24 9.318 -6.642 6.262 1.00 10.21 C ATOM 380 NZ LYS A 24 9.396 -7.172 7.640 1.00 12.23 N ATOM 0 H LYS A 24 10.007 -9.516 2.070 1.00 63.02 H new ATOM 0 HA LYS A 24 9.693 -11.347 4.232 1.00 25.21 H new ATOM 0 HB2 LYS A 24 8.030 -9.052 3.198 1.00 52.32 H new ATOM 0 HB3 LYS A 24 7.599 -9.989 4.615 1.00 52.32 H new ATOM 0 HG2 LYS A 24 9.690 -9.303 5.744 1.00 43.45 H new ATOM 0 HG3 LYS A 24 10.206 -8.435 4.312 1.00 43.45 H new ATOM 0 HD2 LYS A 24 8.203 -6.960 4.443 1.00 2.30 H new ATOM 0 HD3 LYS A 24 7.598 -7.866 5.817 1.00 2.30 H new ATOM 0 HE2 LYS A 24 10.327 -6.526 5.866 1.00 10.21 H new ATOM 0 HE3 LYS A 24 8.869 -5.649 6.286 1.00 10.21 H new ATOM 0 HZ1 LYS A 24 10.064 -6.600 8.195 1.00 12.23 H new ATOM 0 HZ2 LYS A 24 8.455 -7.131 8.082 1.00 12.23 H new ATOM 0 HZ3 LYS A 24 9.723 -8.159 7.614 1.00 12.23 H new ATOM 394 N SER A 25 7.493 -12.613 3.640 1.00 2.23 N ATOM 395 CA SER A 25 6.580 -13.663 3.224 1.00 52.11 C ATOM 396 C SER A 25 5.657 -13.989 4.399 1.00 54.11 C ATOM 397 O SER A 25 5.781 -13.381 5.468 1.00 72.11 O ATOM 398 CB SER A 25 7.384 -14.890 2.728 1.00 45.22 C ATOM 399 OG SER A 25 8.761 -14.865 3.088 1.00 10.32 O ATOM 0 H SER A 25 7.612 -12.561 4.652 1.00 2.23 H new ATOM 0 HA SER A 25 5.960 -13.341 2.387 1.00 52.11 H new ATOM 0 HB2 SER A 25 6.930 -15.796 3.131 1.00 45.22 H new ATOM 0 HB3 SER A 25 7.304 -14.949 1.643 1.00 45.22 H new ATOM 0 HG SER A 25 9.204 -15.669 2.744 1.00 10.32 H new ATOM 405 N GLY A 26 4.751 -14.949 4.209 1.00 42.13 N ATOM 406 CA GLY A 26 3.991 -15.583 5.271 1.00 71.23 C ATOM 407 C GLY A 26 3.285 -14.555 6.144 1.00 21.30 C ATOM 408 O GLY A 26 2.369 -13.861 5.689 1.00 64.35 O ATOM 0 H GLY A 26 4.524 -15.313 3.283 1.00 42.13 H new ATOM 0 HA2 GLY A 26 3.255 -16.261 4.838 1.00 71.23 H new ATOM 0 HA3 GLY A 26 4.658 -16.187 5.886 1.00 71.23 H new ATOM 412 N ASP A 27 3.714 -14.458 7.400 1.00 30.01 N ATOM 413 CA ASP A 27 3.136 -13.548 8.378 1.00 1.22 C ATOM 414 C ASP A 27 3.868 -12.212 8.391 1.00 2.42 C ATOM 415 O ASP A 27 3.254 -11.192 8.684 1.00 72.24 O ATOM 416 CB ASP A 27 3.189 -14.172 9.775 1.00 13.53 C ATOM 417 CG ASP A 27 2.011 -15.118 9.986 1.00 30.13 C ATOM 418 OD1 ASP A 27 2.101 -16.275 9.518 1.00 31.30 O ATOM 419 OD2 ASP A 27 0.965 -14.697 10.536 1.00 71.12 O ATOM 0 H ASP A 27 4.483 -15.018 7.769 1.00 30.01 H new ATOM 0 HA ASP A 27 2.099 -13.371 8.095 1.00 1.22 H new ATOM 0 HB2 ASP A 27 4.126 -14.715 9.901 1.00 13.53 H new ATOM 0 HB3 ASP A 27 3.172 -13.387 10.531 1.00 13.53 H new ATOM 424 N GLU A 28 5.158 -12.171 8.046 1.00 61.24 N ATOM 425 CA GLU A 28 5.950 -10.949 7.968 1.00 71.42 C ATOM 426 C GLU A 28 5.309 -9.964 6.992 1.00 12.20 C ATOM 427 O GLU A 28 5.250 -8.769 7.279 1.00 64.11 O ATOM 428 CB GLU A 28 7.384 -11.278 7.522 1.00 54.42 C ATOM 429 CG GLU A 28 8.422 -11.340 8.648 1.00 3.40 C ATOM 430 CD GLU A 28 9.788 -10.843 8.165 1.00 63.15 C ATOM 431 OE1 GLU A 28 10.467 -11.548 7.391 1.00 44.41 O ATOM 432 OE2 GLU A 28 10.171 -9.695 8.511 1.00 65.44 O ATOM 0 H GLU A 28 5.689 -13.009 7.808 1.00 61.24 H new ATOM 0 HA GLU A 28 5.984 -10.490 8.956 1.00 71.42 H new ATOM 0 HB2 GLU A 28 7.375 -12.238 7.005 1.00 54.42 H new ATOM 0 HB3 GLU A 28 7.703 -10.529 6.797 1.00 54.42 H new ATOM 0 HG2 GLU A 28 8.087 -10.733 9.489 1.00 3.40 H new ATOM 0 HG3 GLU A 28 8.511 -12.365 9.009 1.00 3.40 H new ATOM 439 N ALA A 29 4.814 -10.454 5.853 1.00 31.22 N ATOM 440 CA ALA A 29 4.140 -9.618 4.870 1.00 24.20 C ATOM 441 C ALA A 29 2.840 -9.027 5.422 1.00 74.43 C ATOM 442 O ALA A 29 2.485 -7.885 5.131 1.00 65.33 O ATOM 443 CB ALA A 29 3.870 -10.447 3.608 1.00 73.33 C ATOM 0 H ALA A 29 4.871 -11.438 5.591 1.00 31.22 H new ATOM 0 HA ALA A 29 4.789 -8.777 4.624 1.00 24.20 H new ATOM 0 HB1 ALA A 29 3.365 -9.827 2.867 1.00 73.33 H new ATOM 0 HB2 ALA A 29 4.815 -10.805 3.199 1.00 73.33 H new ATOM 0 HB3 ALA A 29 3.238 -11.298 3.860 1.00 73.33 H new ATOM 449 N ASN A 30 2.121 -9.806 6.226 1.00 14.21 N ATOM 450 CA ASN A 30 0.802 -9.448 6.733 1.00 24.22 C ATOM 451 C ASN A 30 0.939 -8.500 7.912 1.00 24.14 C ATOM 452 O ASN A 30 0.117 -7.598 8.074 1.00 5.13 O ATOM 453 CB ASN A 30 0.029 -10.713 7.139 1.00 32.00 C ATOM 454 CG ASN A 30 -0.655 -11.358 5.942 1.00 63.01 C ATOM 455 OD1 ASN A 30 -1.741 -10.930 5.558 1.00 33.41 O ATOM 456 ND2 ASN A 30 -0.072 -12.378 5.337 1.00 34.33 N ATOM 0 H ASN A 30 2.445 -10.718 6.548 1.00 14.21 H new ATOM 0 HA ASN A 30 0.243 -8.943 5.946 1.00 24.22 H new ATOM 0 HB2 ASN A 30 0.713 -11.427 7.597 1.00 32.00 H new ATOM 0 HB3 ASN A 30 -0.717 -10.459 7.892 1.00 32.00 H new ATOM 0 HD21 ASN A 30 -0.524 -12.823 4.538 1.00 34.33 H new ATOM 0 HD22 ASN A 30 0.830 -12.720 5.669 1.00 34.33 H new ATOM 463 N ALA A 31 1.975 -8.676 8.728 1.00 23.42 N ATOM 464 CA ALA A 31 2.375 -7.726 9.739 1.00 25.00 C ATOM 465 C ALA A 31 2.765 -6.425 9.058 1.00 12.31 C ATOM 466 O ALA A 31 2.208 -5.390 9.416 1.00 23.14 O ATOM 467 CB ALA A 31 3.529 -8.302 10.565 1.00 71.22 C ATOM 0 H ALA A 31 2.568 -9.506 8.697 1.00 23.42 H new ATOM 0 HA ALA A 31 1.551 -7.526 10.424 1.00 25.00 H new ATOM 0 HB1 ALA A 31 3.827 -7.581 11.326 1.00 71.22 H new ATOM 0 HB2 ALA A 31 3.207 -9.225 11.046 1.00 71.22 H new ATOM 0 HB3 ALA A 31 4.376 -8.510 9.911 1.00 71.22 H new ATOM 473 N TYR A 32 3.661 -6.461 8.066 1.00 32.23 N ATOM 474 CA TYR A 32 4.159 -5.258 7.396 1.00 33.03 C ATOM 475 C TYR A 32 3.012 -4.412 6.830 1.00 51.34 C ATOM 476 O TYR A 32 3.036 -3.178 6.884 1.00 73.43 O ATOM 477 CB TYR A 32 5.154 -5.669 6.308 1.00 4.40 C ATOM 478 CG TYR A 32 5.778 -4.496 5.589 1.00 53.15 C ATOM 479 CD1 TYR A 32 6.904 -3.859 6.140 1.00 65.13 C ATOM 480 CD2 TYR A 32 5.206 -4.012 4.397 1.00 4.20 C ATOM 481 CE1 TYR A 32 7.462 -2.741 5.506 1.00 3.11 C ATOM 482 CE2 TYR A 32 5.766 -2.890 3.762 1.00 25.24 C ATOM 483 CZ TYR A 32 6.870 -2.224 4.337 1.00 22.02 C ATOM 484 OH TYR A 32 7.305 -1.046 3.817 1.00 23.12 O ATOM 0 H TYR A 32 4.061 -7.327 7.705 1.00 32.23 H new ATOM 0 HA TYR A 32 4.671 -4.628 8.124 1.00 33.03 H new ATOM 0 HB2 TYR A 32 5.943 -6.271 6.757 1.00 4.40 H new ATOM 0 HB3 TYR A 32 4.645 -6.302 5.581 1.00 4.40 H new ATOM 0 HD1 TYR A 32 7.340 -4.233 7.055 1.00 65.13 H new ATOM 0 HD2 TYR A 32 4.341 -4.500 3.973 1.00 4.20 H new ATOM 0 HE1 TYR A 32 8.347 -2.275 5.914 1.00 3.11 H new ATOM 0 HE2 TYR A 32 5.350 -2.536 2.830 1.00 25.24 H new ATOM 0 HH TYR A 32 7.532 -0.431 4.545 1.00 23.12 H new ATOM 494 N ALA A 33 1.955 -5.074 6.351 1.00 23.30 N ATOM 495 CA ALA A 33 0.779 -4.415 5.812 1.00 3.34 C ATOM 496 C ALA A 33 -0.022 -3.590 6.849 1.00 34.21 C ATOM 497 O ALA A 33 -1.022 -2.963 6.491 1.00 50.43 O ATOM 498 CB ALA A 33 -0.109 -5.464 5.134 1.00 64.22 C ATOM 0 H ALA A 33 1.899 -6.092 6.330 1.00 23.30 H new ATOM 0 HA ALA A 33 1.127 -3.680 5.086 1.00 3.34 H new ATOM 0 HB1 ALA A 33 -0.996 -4.980 4.725 1.00 64.22 H new ATOM 0 HB2 ALA A 33 0.446 -5.945 4.328 1.00 64.22 H new ATOM 0 HB3 ALA A 33 -0.409 -6.214 5.866 1.00 64.22 H new ATOM 504 N ALA A 34 0.335 -3.584 8.140 1.00 14.40 N ATOM 505 CA ALA A 34 -0.205 -2.601 9.092 1.00 72.45 C ATOM 506 C ALA A 34 0.542 -1.257 9.083 1.00 21.02 C ATOM 507 O ALA A 34 -0.129 -0.223 9.019 1.00 41.32 O ATOM 508 CB ALA A 34 -0.300 -3.200 10.492 1.00 10.33 C ATOM 0 H ALA A 34 0.994 -4.246 8.550 1.00 14.40 H new ATOM 0 HA ALA A 34 -1.214 -2.363 8.754 1.00 72.45 H new ATOM 0 HB1 ALA A 34 -0.702 -2.456 11.180 1.00 10.33 H new ATOM 0 HB2 ALA A 34 -0.958 -4.069 10.472 1.00 10.33 H new ATOM 0 HB3 ALA A 34 0.692 -3.504 10.826 1.00 10.33 H new ATOM 514 N GLU A 35 1.881 -1.229 9.121 1.00 2.50 N ATOM 515 CA GLU A 35 2.684 -0.012 8.982 1.00 21.44 C ATOM 516 C GLU A 35 2.302 0.795 7.746 1.00 30.33 C ATOM 517 O GLU A 35 2.199 2.016 7.798 1.00 44.43 O ATOM 518 CB GLU A 35 4.165 -0.390 8.853 1.00 64.33 C ATOM 519 CG GLU A 35 4.886 -0.501 10.189 1.00 4.30 C ATOM 520 CD GLU A 35 6.392 -0.696 10.010 1.00 44.41 C ATOM 521 OE1 GLU A 35 7.031 0.035 9.225 1.00 42.42 O ATOM 522 OE2 GLU A 35 6.938 -1.614 10.664 1.00 14.20 O ATOM 0 H GLU A 35 2.445 -2.069 9.252 1.00 2.50 H new ATOM 0 HA GLU A 35 2.499 0.595 9.868 1.00 21.44 H new ATOM 0 HB2 GLU A 35 4.244 -1.342 8.327 1.00 64.33 H new ATOM 0 HB3 GLU A 35 4.669 0.356 8.239 1.00 64.33 H new ATOM 0 HG2 GLU A 35 4.704 0.399 10.776 1.00 4.30 H new ATOM 0 HG3 GLU A 35 4.476 -1.338 10.754 1.00 4.30 H new ATOM 529 N VAL A 36 2.104 0.114 6.623 1.00 63.41 N ATOM 530 CA VAL A 36 1.850 0.754 5.342 1.00 24.24 C ATOM 531 C VAL A 36 0.525 1.528 5.371 1.00 70.32 C ATOM 532 O VAL A 36 0.410 2.589 4.748 1.00 4.53 O ATOM 533 CB VAL A 36 1.892 -0.346 4.278 1.00 61.33 C ATOM 534 CG1 VAL A 36 1.422 0.136 2.904 1.00 31.33 C ATOM 535 CG2 VAL A 36 3.315 -0.902 4.144 1.00 1.33 C ATOM 0 H VAL A 36 2.116 -0.905 6.578 1.00 63.41 H new ATOM 0 HA VAL A 36 2.607 1.503 5.108 1.00 24.24 H new ATOM 0 HB VAL A 36 1.205 -1.123 4.614 1.00 61.33 H new ATOM 0 HG11 VAL A 36 1.474 -0.688 2.192 1.00 31.33 H new ATOM 0 HG12 VAL A 36 0.393 0.490 2.975 1.00 31.33 H new ATOM 0 HG13 VAL A 36 2.063 0.950 2.565 1.00 31.33 H new ATOM 0 HG21 VAL A 36 3.330 -1.683 3.384 1.00 1.33 H new ATOM 0 HG22 VAL A 36 3.993 -0.100 3.853 1.00 1.33 H new ATOM 0 HG23 VAL A 36 3.634 -1.319 5.099 1.00 1.33 H new ATOM 545 N VAL A 37 -0.469 1.038 6.113 1.00 32.02 N ATOM 546 CA VAL A 37 -1.692 1.783 6.360 1.00 10.44 C ATOM 547 C VAL A 37 -1.340 3.055 7.149 1.00 22.13 C ATOM 548 O VAL A 37 -1.760 4.139 6.757 1.00 55.14 O ATOM 549 CB VAL A 37 -2.726 0.873 7.059 1.00 24.13 C ATOM 550 CG1 VAL A 37 -4.007 1.640 7.400 1.00 74.04 C ATOM 551 CG2 VAL A 37 -3.123 -0.344 6.203 1.00 1.30 C ATOM 0 H VAL A 37 -0.444 0.119 6.555 1.00 32.02 H new ATOM 0 HA VAL A 37 -2.161 2.104 5.430 1.00 10.44 H new ATOM 0 HB VAL A 37 -2.235 0.526 7.968 1.00 24.13 H new ATOM 0 HG11 VAL A 37 -4.713 0.970 7.891 1.00 74.04 H new ATOM 0 HG12 VAL A 37 -3.769 2.468 8.068 1.00 74.04 H new ATOM 0 HG13 VAL A 37 -4.453 2.029 6.485 1.00 74.04 H new ATOM 0 HG21 VAL A 37 -3.852 -0.948 6.744 1.00 1.30 H new ATOM 0 HG22 VAL A 37 -3.560 -0.002 5.265 1.00 1.30 H new ATOM 0 HG23 VAL A 37 -2.238 -0.945 5.993 1.00 1.30 H new ATOM 561 N LYS A 38 -0.585 2.906 8.241 1.00 53.11 N ATOM 562 CA LYS A 38 -0.309 3.883 9.280 1.00 32.22 C ATOM 563 C LYS A 38 0.614 5.026 8.817 1.00 42.15 C ATOM 564 O LYS A 38 1.743 5.155 9.293 1.00 71.32 O ATOM 565 CB LYS A 38 0.262 3.088 10.478 1.00 61.42 C ATOM 566 CG LYS A 38 -0.327 3.561 11.805 1.00 11.30 C ATOM 567 CD LYS A 38 0.231 2.734 12.973 1.00 1.40 C ATOM 568 CE LYS A 38 -0.483 1.385 13.086 1.00 32.43 C ATOM 569 NZ LYS A 38 0.234 0.460 13.981 1.00 32.43 N ATOM 0 H LYS A 38 -0.115 2.021 8.430 1.00 53.11 H new ATOM 0 HA LYS A 38 -1.223 4.405 9.564 1.00 32.22 H new ATOM 0 HB2 LYS A 38 0.051 2.027 10.344 1.00 61.42 H new ATOM 0 HB3 LYS A 38 1.346 3.196 10.502 1.00 61.42 H new ATOM 0 HG2 LYS A 38 -0.095 4.615 11.956 1.00 11.30 H new ATOM 0 HG3 LYS A 38 -1.413 3.474 11.778 1.00 11.30 H new ATOM 0 HD2 LYS A 38 1.299 2.572 12.830 1.00 1.40 H new ATOM 0 HD3 LYS A 38 0.115 3.289 13.904 1.00 1.40 H new ATOM 0 HE2 LYS A 38 -1.496 1.540 13.459 1.00 32.43 H new ATOM 0 HE3 LYS A 38 -0.573 0.937 12.096 1.00 32.43 H new ATOM 0 HZ1 LYS A 38 -0.280 -0.442 14.032 1.00 32.43 H new ATOM 0 HZ2 LYS A 38 1.192 0.292 13.612 1.00 32.43 H new ATOM 0 HZ3 LYS A 38 0.297 0.876 14.932 1.00 32.43 H new ATOM 583 N ALA A 39 0.144 5.895 7.921 1.00 62.44 N ATOM 584 CA ALA A 39 0.876 7.101 7.515 1.00 73.21 C ATOM 585 C ALA A 39 -0.077 8.184 7.012 1.00 60.41 C ATOM 586 O ALA A 39 0.066 9.358 7.347 1.00 21.03 O ATOM 587 CB ALA A 39 1.870 6.743 6.403 1.00 34.41 C ATOM 0 H ALA A 39 -0.756 5.784 7.454 1.00 62.44 H new ATOM 0 HA ALA A 39 1.407 7.488 8.385 1.00 73.21 H new ATOM 0 HB1 ALA A 39 2.415 7.637 6.100 1.00 34.41 H new ATOM 0 HB2 ALA A 39 2.574 5.997 6.771 1.00 34.41 H new ATOM 0 HB3 ALA A 39 1.329 6.340 5.547 1.00 34.41 H new ATOM 593 N ASP A 40 -1.034 7.777 6.181 1.00 41.42 N ATOM 594 CA ASP A 40 -2.048 8.626 5.572 1.00 60.23 C ATOM 595 C ASP A 40 -2.995 9.136 6.661 1.00 71.13 C ATOM 596 O ASP A 40 -3.887 8.398 7.080 1.00 52.33 O ATOM 597 CB ASP A 40 -2.783 7.786 4.521 1.00 60.33 C ATOM 598 CG ASP A 40 -3.979 8.516 3.918 1.00 51.42 C ATOM 599 OD1 ASP A 40 -3.811 9.223 2.903 1.00 21.30 O ATOM 600 OD2 ASP A 40 -5.126 8.217 4.317 1.00 74.35 O ATOM 0 H ASP A 40 -1.125 6.800 5.903 1.00 41.42 H new ATOM 0 HA ASP A 40 -1.609 9.498 5.087 1.00 60.23 H new ATOM 0 HB2 ASP A 40 -2.088 7.516 3.726 1.00 60.33 H new ATOM 0 HB3 ASP A 40 -3.122 6.856 4.977 1.00 60.33 H new ATOM 605 N PHE A 41 -2.747 10.342 7.183 1.00 62.44 N ATOM 606 CA PHE A 41 -3.507 10.933 8.286 1.00 3.44 C ATOM 607 C PHE A 41 -3.435 12.460 8.334 1.00 1.54 C ATOM 608 O PHE A 41 -4.401 13.099 8.763 1.00 32.32 O ATOM 609 CB PHE A 41 -2.969 10.420 9.632 1.00 1.50 C ATOM 610 CG PHE A 41 -3.266 8.972 9.964 1.00 43.55 C ATOM 611 CD1 PHE A 41 -4.596 8.557 10.164 1.00 24.40 C ATOM 612 CD2 PHE A 41 -2.213 8.054 10.132 1.00 20.33 C ATOM 613 CE1 PHE A 41 -4.873 7.233 10.544 1.00 32.42 C ATOM 614 CE2 PHE A 41 -2.489 6.743 10.555 1.00 74.13 C ATOM 615 CZ PHE A 41 -3.818 6.329 10.755 1.00 23.23 C ATOM 0 H PHE A 41 -1.998 10.945 6.843 1.00 62.44 H new ATOM 0 HA PHE A 41 -4.542 10.638 8.113 1.00 3.44 H new ATOM 0 HB2 PHE A 41 -1.888 10.559 9.644 1.00 1.50 H new ATOM 0 HB3 PHE A 41 -3.380 11.044 10.425 1.00 1.50 H new ATOM 0 HD1 PHE A 41 -5.406 9.258 10.025 1.00 24.40 H new ATOM 0 HD2 PHE A 41 -1.195 8.356 9.936 1.00 20.33 H new ATOM 0 HE1 PHE A 41 -5.896 6.910 10.674 1.00 32.42 H new ATOM 0 HE2 PHE A 41 -1.678 6.051 10.727 1.00 74.13 H new ATOM 0 HZ PHE A 41 -4.028 5.318 11.070 1.00 23.23 H new ATOM 625 N GLU A 42 -2.277 13.029 7.985 1.00 13.22 N ATOM 626 CA GLU A 42 -1.936 14.430 8.234 1.00 41.22 C ATOM 627 C GLU A 42 -1.882 15.208 6.914 1.00 61.43 C ATOM 628 O GLU A 42 -2.437 16.308 6.807 1.00 3.43 O ATOM 629 CB GLU A 42 -0.633 14.510 9.058 1.00 62.44 C ATOM 630 CG GLU A 42 0.574 13.802 8.406 1.00 14.21 C ATOM 631 CD GLU A 42 1.822 13.719 9.299 1.00 64.35 C ATOM 632 OE1 GLU A 42 1.870 14.368 10.366 1.00 2.31 O ATOM 633 OE2 GLU A 42 2.749 12.957 8.930 1.00 21.13 O ATOM 0 H GLU A 42 -1.535 12.515 7.511 1.00 13.22 H new ATOM 0 HA GLU A 42 -2.712 14.908 8.831 1.00 41.22 H new ATOM 0 HB2 GLU A 42 -0.382 15.558 9.218 1.00 62.44 H new ATOM 0 HB3 GLU A 42 -0.810 14.071 10.040 1.00 62.44 H new ATOM 0 HG2 GLU A 42 0.277 12.792 8.123 1.00 14.21 H new ATOM 0 HG3 GLU A 42 0.834 14.327 7.487 1.00 14.21 H new ATOM 640 N GLU A 43 -1.287 14.612 5.881 1.00 44.31 N ATOM 641 CA GLU A 43 -1.563 14.958 4.499 1.00 23.22 C ATOM 642 C GLU A 43 -2.808 14.203 4.055 1.00 2.42 C ATOM 643 O GLU A 43 -3.063 13.086 4.514 1.00 23.20 O ATOM 644 CB GLU A 43 -0.368 14.580 3.620 1.00 62.32 C ATOM 645 CG GLU A 43 0.626 15.744 3.539 1.00 33.11 C ATOM 646 CD GLU A 43 2.084 15.282 3.494 1.00 53.23 C ATOM 647 OE1 GLU A 43 2.461 14.462 2.624 1.00 14.41 O ATOM 648 OE2 GLU A 43 2.865 15.738 4.358 1.00 62.04 O ATOM 0 H GLU A 43 -0.595 13.870 5.987 1.00 44.31 H new ATOM 0 HA GLU A 43 -1.730 16.031 4.404 1.00 23.22 H new ATOM 0 HB2 GLU A 43 0.127 13.699 4.028 1.00 62.32 H new ATOM 0 HB3 GLU A 43 -0.713 14.318 2.620 1.00 62.32 H new ATOM 0 HG2 GLU A 43 0.411 16.337 2.650 1.00 33.11 H new ATOM 0 HG3 GLU A 43 0.484 16.397 4.400 1.00 33.11 H new ATOM 655 N ALA A 44 -3.523 14.786 3.096 1.00 1.30 N ATOM 656 CA ALA A 44 -4.677 14.195 2.442 1.00 21.01 C ATOM 657 C ALA A 44 -4.295 13.892 0.991 1.00 53.15 C ATOM 658 O ALA A 44 -4.932 14.396 0.058 1.00 51.13 O ATOM 659 CB ALA A 44 -5.845 15.176 2.570 1.00 0.21 C ATOM 0 H ALA A 44 -3.303 15.717 2.743 1.00 1.30 H new ATOM 0 HA ALA A 44 -4.988 13.256 2.899 1.00 21.01 H new ATOM 0 HB1 ALA A 44 -6.727 14.757 2.086 1.00 0.21 H new ATOM 0 HB2 ALA A 44 -6.058 15.352 3.624 1.00 0.21 H new ATOM 0 HB3 ALA A 44 -5.582 16.119 2.091 1.00 0.21 H new ATOM 665 N GLY A 45 -3.203 13.154 0.791 1.00 12.10 N ATOM 666 CA GLY A 45 -2.508 13.033 -0.479 1.00 55.35 C ATOM 667 C GLY A 45 -1.926 11.636 -0.634 1.00 74.43 C ATOM 668 O GLY A 45 -2.593 10.641 -0.334 1.00 55.34 O ATOM 0 H GLY A 45 -2.769 12.609 1.536 1.00 12.10 H new ATOM 0 HA2 GLY A 45 -3.196 13.240 -1.299 1.00 55.35 H new ATOM 0 HA3 GLY A 45 -1.711 13.774 -0.537 1.00 55.35 H new ATOM 672 N HIS A 46 -0.711 11.553 -1.174 1.00 75.05 N ATOM 673 CA HIS A 46 0.093 10.345 -1.251 1.00 13.23 C ATOM 674 C HIS A 46 1.545 10.705 -1.570 1.00 40.43 C ATOM 675 O HIS A 46 2.052 10.439 -2.663 1.00 33.34 O ATOM 676 CB HIS A 46 -0.511 9.324 -2.220 1.00 3.50 C ATOM 677 CG HIS A 46 -0.940 9.847 -3.567 1.00 4.32 C ATOM 678 ND1 HIS A 46 -0.118 10.242 -4.598 1.00 60.21 N ATOM 679 CD2 HIS A 46 -2.233 9.963 -3.992 1.00 63.35 C ATOM 680 CE1 HIS A 46 -0.900 10.550 -5.647 1.00 53.54 C ATOM 681 NE2 HIS A 46 -2.197 10.380 -5.327 1.00 15.32 N ATOM 0 H HIS A 46 -0.245 12.362 -1.585 1.00 75.05 H new ATOM 0 HA HIS A 46 0.091 9.852 -0.279 1.00 13.23 H new ATOM 0 HB2 HIS A 46 0.220 8.531 -2.379 1.00 3.50 H new ATOM 0 HB3 HIS A 46 -1.377 8.868 -1.739 1.00 3.50 H new ATOM 0 HD1 HIS A 46 0.900 10.292 -4.571 1.00 60.21 H new ATOM 0 HD2 HIS A 46 -3.119 9.769 -3.406 1.00 63.35 H new ATOM 0 HE1 HIS A 46 -0.540 10.886 -6.608 1.00 53.54 H new ATOM 689 N GLU A 47 2.222 11.275 -0.581 1.00 23.00 N ATOM 690 CA GLU A 47 3.622 11.669 -0.577 1.00 35.42 C ATOM 691 C GLU A 47 4.253 11.065 0.682 1.00 63.22 C ATOM 692 O GLU A 47 5.257 10.357 0.587 1.00 54.53 O ATOM 693 CB GLU A 47 3.795 13.202 -0.606 1.00 13.11 C ATOM 694 CG GLU A 47 3.093 13.937 -1.764 1.00 11.33 C ATOM 695 CD GLU A 47 1.766 14.594 -1.354 1.00 63.24 C ATOM 696 OE1 GLU A 47 0.827 13.881 -0.939 1.00 52.54 O ATOM 697 OE2 GLU A 47 1.625 15.835 -1.453 1.00 64.15 O ATOM 0 H GLU A 47 1.769 11.490 0.308 1.00 23.00 H new ATOM 0 HA GLU A 47 4.115 11.300 -1.476 1.00 35.42 H new ATOM 0 HB2 GLU A 47 3.423 13.608 0.335 1.00 13.11 H new ATOM 0 HB3 GLU A 47 4.861 13.427 -0.651 1.00 13.11 H new ATOM 0 HG2 GLU A 47 3.762 14.702 -2.158 1.00 11.33 H new ATOM 0 HG3 GLU A 47 2.906 13.230 -2.573 1.00 11.33 H new ATOM 704 N ASP A 48 3.626 11.250 1.851 1.00 52.21 N ATOM 705 CA ASP A 48 4.108 10.728 3.136 1.00 64.05 C ATOM 706 C ASP A 48 4.215 9.201 3.099 1.00 61.02 C ATOM 707 O ASP A 48 5.245 8.617 3.453 1.00 55.32 O ATOM 708 CB ASP A 48 3.176 11.143 4.284 1.00 35.14 C ATOM 709 CG ASP A 48 3.886 10.862 5.605 1.00 75.32 C ATOM 710 OD1 ASP A 48 4.661 11.739 6.042 1.00 51.23 O ATOM 711 OD2 ASP A 48 3.754 9.747 6.156 1.00 4.41 O ATOM 0 H ASP A 48 2.755 11.775 1.931 1.00 52.21 H new ATOM 0 HA ASP A 48 5.097 11.153 3.310 1.00 64.05 H new ATOM 0 HB2 ASP A 48 2.925 12.201 4.206 1.00 35.14 H new ATOM 0 HB3 ASP A 48 2.239 10.589 4.231 1.00 35.14 H new ATOM 716 N VAL A 49 3.165 8.563 2.573 1.00 41.21 N ATOM 717 CA VAL A 49 3.073 7.130 2.310 1.00 73.05 C ATOM 718 C VAL A 49 4.208 6.666 1.377 1.00 53.52 C ATOM 719 O VAL A 49 4.654 5.517 1.469 1.00 52.11 O ATOM 720 CB VAL A 49 1.676 6.869 1.696 1.00 34.30 C ATOM 721 CG1 VAL A 49 1.466 5.428 1.223 1.00 14.32 C ATOM 722 CG2 VAL A 49 0.533 7.146 2.685 1.00 31.21 C ATOM 0 H VAL A 49 2.315 9.060 2.307 1.00 41.21 H new ATOM 0 HA VAL A 49 3.188 6.557 3.230 1.00 73.05 H new ATOM 0 HB VAL A 49 1.651 7.555 0.849 1.00 34.30 H new ATOM 0 HG11 VAL A 49 0.464 5.324 0.806 1.00 14.32 H new ATOM 0 HG12 VAL A 49 2.205 5.184 0.459 1.00 14.32 H new ATOM 0 HG13 VAL A 49 1.579 4.748 2.067 1.00 14.32 H new ATOM 0 HG21 VAL A 49 -0.423 6.946 2.201 1.00 31.21 H new ATOM 0 HG22 VAL A 49 0.641 6.500 3.556 1.00 31.21 H new ATOM 0 HG23 VAL A 49 0.569 8.189 3.000 1.00 31.21 H new ATOM 732 N MET A 50 4.673 7.526 0.464 1.00 13.10 N ATOM 733 CA MET A 50 5.746 7.191 -0.465 1.00 31.03 C ATOM 734 C MET A 50 7.079 7.225 0.274 1.00 61.34 C ATOM 735 O MET A 50 7.850 6.274 0.192 1.00 61.13 O ATOM 736 CB MET A 50 5.778 8.131 -1.678 1.00 20.41 C ATOM 737 CG MET A 50 4.439 8.457 -2.359 1.00 42.43 C ATOM 738 SD MET A 50 3.522 7.208 -3.311 1.00 43.43 S ATOM 739 CE MET A 50 3.072 6.029 -2.023 1.00 75.45 C ATOM 0 H MET A 50 4.312 8.474 0.352 1.00 13.10 H new ATOM 0 HA MET A 50 5.561 6.188 -0.850 1.00 31.03 H new ATOM 0 HB2 MET A 50 6.233 9.070 -1.364 1.00 20.41 H new ATOM 0 HB3 MET A 50 6.438 7.692 -2.426 1.00 20.41 H new ATOM 0 HG2 MET A 50 3.767 8.816 -1.579 1.00 42.43 H new ATOM 0 HG3 MET A 50 4.623 9.295 -3.032 1.00 42.43 H new ATOM 0 HE1 MET A 50 2.270 5.385 -2.384 1.00 75.45 H new ATOM 0 HE2 MET A 50 3.940 5.421 -1.767 1.00 75.45 H new ATOM 0 HE3 MET A 50 2.734 6.568 -1.138 1.00 75.45 H new ATOM 749 N ARG A 51 7.351 8.281 1.039 1.00 55.14 N ATOM 750 CA ARG A 51 8.536 8.351 1.891 1.00 62.24 C ATOM 751 C ARG A 51 8.629 7.124 2.794 1.00 12.54 C ATOM 752 O ARG A 51 9.706 6.537 2.892 1.00 20.32 O ATOM 753 CB ARG A 51 8.469 9.658 2.703 1.00 53.42 C ATOM 754 CG ARG A 51 9.442 10.701 2.154 1.00 62.34 C ATOM 755 CD ARG A 51 10.764 10.558 2.906 1.00 51.25 C ATOM 756 NE ARG A 51 11.844 11.337 2.283 1.00 24.24 N ATOM 757 CZ ARG A 51 12.942 11.737 2.926 1.00 0.13 C ATOM 758 NH1 ARG A 51 13.073 11.487 4.224 1.00 15.52 N ATOM 759 NH2 ARG A 51 13.883 12.428 2.284 1.00 52.12 N ATOM 0 H ARG A 51 6.758 9.110 1.085 1.00 55.14 H new ATOM 0 HA ARG A 51 9.439 8.355 1.281 1.00 62.24 H new ATOM 0 HB2 ARG A 51 7.454 10.054 2.676 1.00 53.42 H new ATOM 0 HB3 ARG A 51 8.703 9.453 3.748 1.00 53.42 H new ATOM 0 HG2 ARG A 51 9.594 10.554 1.085 1.00 62.34 H new ATOM 0 HG3 ARG A 51 9.037 11.705 2.283 1.00 62.34 H new ATOM 0 HD2 ARG A 51 10.631 10.885 3.937 1.00 51.25 H new ATOM 0 HD3 ARG A 51 11.049 9.507 2.939 1.00 51.25 H new ATOM 0 HE ARG A 51 11.748 11.587 1.299 1.00 24.24 H new ATOM 0 HH11 ARG A 51 12.336 10.991 4.725 1.00 15.52 H new ATOM 0 HH12 ARG A 51 13.911 11.791 4.720 1.00 15.52 H new ATOM 0 HH21 ARG A 51 13.766 12.653 1.296 1.00 52.12 H new ATOM 0 HH22 ARG A 51 14.721 12.732 2.780 1.00 52.12 H new ATOM 773 N LYS A 52 7.505 6.699 3.381 1.00 74.34 N ATOM 774 CA LYS A 52 7.437 5.499 4.203 1.00 31.12 C ATOM 775 C LYS A 52 8.010 4.309 3.442 1.00 53.32 C ATOM 776 O LYS A 52 8.863 3.607 3.978 1.00 72.45 O ATOM 777 CB LYS A 52 5.990 5.271 4.686 1.00 73.22 C ATOM 778 CG LYS A 52 5.864 4.204 5.786 1.00 51.53 C ATOM 779 CD LYS A 52 5.781 2.751 5.278 1.00 12.42 C ATOM 780 CE LYS A 52 5.824 1.777 6.454 1.00 34.12 C ATOM 781 NZ LYS A 52 7.132 1.778 7.136 1.00 2.11 N ATOM 0 H LYS A 52 6.613 7.186 3.295 1.00 74.34 H new ATOM 0 HA LYS A 52 8.050 5.623 5.096 1.00 31.12 H new ATOM 0 HB2 LYS A 52 5.589 6.213 5.059 1.00 73.22 H new ATOM 0 HB3 LYS A 52 5.375 4.977 3.835 1.00 73.22 H new ATOM 0 HG2 LYS A 52 6.720 4.291 6.455 1.00 51.53 H new ATOM 0 HG3 LYS A 52 4.974 4.417 6.378 1.00 51.53 H new ATOM 0 HD2 LYS A 52 4.861 2.608 4.712 1.00 12.42 H new ATOM 0 HD3 LYS A 52 6.608 2.548 4.598 1.00 12.42 H new ATOM 0 HE2 LYS A 52 5.044 2.040 7.169 1.00 34.12 H new ATOM 0 HE3 LYS A 52 5.604 0.771 6.097 1.00 34.12 H new ATOM 0 HZ1 LYS A 52 7.123 1.078 7.905 1.00 2.11 H new ATOM 0 HZ2 LYS A 52 7.879 1.535 6.455 1.00 2.11 H new ATOM 0 HZ3 LYS A 52 7.317 2.722 7.530 1.00 2.11 H new ATOM 795 N VAL A 53 7.502 4.040 2.239 1.00 62.14 N ATOM 796 CA VAL A 53 7.778 2.787 1.549 1.00 52.14 C ATOM 797 C VAL A 53 9.155 2.797 0.876 1.00 21.12 C ATOM 798 O VAL A 53 9.787 1.748 0.725 1.00 55.43 O ATOM 799 CB VAL A 53 6.616 2.507 0.573 1.00 73.24 C ATOM 800 CG1 VAL A 53 6.683 3.250 -0.768 1.00 20.34 C ATOM 801 CG2 VAL A 53 6.474 1.013 0.327 1.00 71.13 C ATOM 0 H VAL A 53 6.895 4.678 1.724 1.00 62.14 H new ATOM 0 HA VAL A 53 7.831 1.967 2.265 1.00 52.14 H new ATOM 0 HB VAL A 53 5.735 2.904 1.078 1.00 73.24 H new ATOM 0 HG11 VAL A 53 5.820 2.981 -1.376 1.00 20.34 H new ATOM 0 HG12 VAL A 53 6.680 4.325 -0.589 1.00 20.34 H new ATOM 0 HG13 VAL A 53 7.597 2.972 -1.293 1.00 20.34 H new ATOM 0 HG21 VAL A 53 5.650 0.835 -0.364 1.00 71.13 H new ATOM 0 HG22 VAL A 53 7.398 0.626 -0.103 1.00 71.13 H new ATOM 0 HG23 VAL A 53 6.273 0.506 1.271 1.00 71.13 H new ATOM 811 N LEU A 54 9.621 3.960 0.421 1.00 33.13 N ATOM 812 CA LEU A 54 10.847 4.093 -0.354 1.00 55.34 C ATOM 813 C LEU A 54 12.063 3.786 0.514 1.00 11.22 C ATOM 814 O LEU A 54 12.913 3.005 0.085 1.00 22.02 O ATOM 815 CB LEU A 54 10.898 5.506 -0.978 1.00 62.14 C ATOM 816 CG LEU A 54 10.427 5.599 -2.448 1.00 34.01 C ATOM 817 CD1 LEU A 54 11.108 4.584 -3.376 1.00 31.23 C ATOM 818 CD2 LEU A 54 8.915 5.545 -2.668 1.00 43.51 C ATOM 0 H LEU A 54 9.147 4.848 0.585 1.00 33.13 H new ATOM 0 HA LEU A 54 10.860 3.368 -1.168 1.00 55.34 H new ATOM 0 HB2 LEU A 54 10.283 6.174 -0.374 1.00 62.14 H new ATOM 0 HB3 LEU A 54 11.922 5.874 -0.918 1.00 62.14 H new ATOM 0 HG LEU A 54 10.747 6.606 -2.717 1.00 34.01 H new ATOM 0 HD11 LEU A 54 10.729 4.707 -4.391 1.00 31.23 H new ATOM 0 HD12 LEU A 54 12.185 4.750 -3.368 1.00 31.23 H new ATOM 0 HD13 LEU A 54 10.894 3.573 -3.029 1.00 31.23 H new ATOM 0 HD21 LEU A 54 8.700 5.618 -3.734 1.00 43.51 H new ATOM 0 HD22 LEU A 54 8.525 4.603 -2.283 1.00 43.51 H new ATOM 0 HD23 LEU A 54 8.441 6.375 -2.144 1.00 43.51 H new ATOM 830 N GLY A 55 12.128 4.328 1.736 1.00 51.52 N ATOM 831 CA GLY A 55 13.226 4.016 2.647 1.00 11.52 C ATOM 832 C GLY A 55 13.203 2.550 3.084 1.00 75.25 C ATOM 833 O GLY A 55 14.255 1.947 3.303 1.00 31.40 O ATOM 0 H GLY A 55 11.438 4.979 2.111 1.00 51.52 H new ATOM 0 HA2 GLY A 55 14.176 4.235 2.160 1.00 11.52 H new ATOM 0 HA3 GLY A 55 13.163 4.658 3.526 1.00 11.52 H new ATOM 837 N ASP A 56 12.011 1.959 3.188 1.00 73.45 N ATOM 838 CA ASP A 56 11.819 0.577 3.619 1.00 10.43 C ATOM 839 C ASP A 56 12.404 -0.400 2.608 1.00 1.32 C ATOM 840 O ASP A 56 13.121 -1.316 3.003 1.00 22.04 O ATOM 841 CB ASP A 56 10.330 0.285 3.846 1.00 14.43 C ATOM 842 CG ASP A 56 9.834 0.731 5.220 1.00 33.32 C ATOM 843 OD1 ASP A 56 10.435 1.620 5.868 1.00 72.12 O ATOM 844 OD2 ASP A 56 8.771 0.220 5.645 1.00 31.24 O ATOM 0 H ASP A 56 11.137 2.438 2.970 1.00 73.45 H new ATOM 0 HA ASP A 56 12.348 0.444 4.563 1.00 10.43 H new ATOM 0 HB2 ASP A 56 9.746 0.787 3.075 1.00 14.43 H new ATOM 0 HB3 ASP A 56 10.154 -0.785 3.733 1.00 14.43 H new ATOM 849 N LEU A 57 12.142 -0.206 1.310 1.00 63.12 N ATOM 850 CA LEU A 57 12.460 -1.176 0.267 1.00 3.24 C ATOM 851 C LEU A 57 13.945 -1.520 0.159 1.00 30.41 C ATOM 852 O LEU A 57 14.288 -2.611 -0.296 1.00 62.31 O ATOM 853 CB LEU A 57 11.961 -0.635 -1.080 1.00 62.31 C ATOM 854 CG LEU A 57 10.759 -1.384 -1.689 1.00 52.41 C ATOM 855 CD1 LEU A 57 10.774 -1.093 -3.188 1.00 15.44 C ATOM 856 CD2 LEU A 57 10.691 -2.900 -1.494 1.00 3.30 C ATOM 0 H LEU A 57 11.698 0.641 0.955 1.00 63.12 H new ATOM 0 HA LEU A 57 11.958 -2.104 0.541 1.00 3.24 H new ATOM 0 HB2 LEU A 57 11.688 0.413 -0.953 1.00 62.31 H new ATOM 0 HB3 LEU A 57 12.785 -0.666 -1.792 1.00 62.31 H new ATOM 0 HG LEU A 57 9.886 -1.015 -1.151 1.00 52.41 H new ATOM 0 HD11 LEU A 57 9.938 -1.604 -3.666 1.00 15.44 H new ATOM 0 HD12 LEU A 57 10.684 -0.019 -3.351 1.00 15.44 H new ATOM 0 HD13 LEU A 57 11.710 -1.448 -3.618 1.00 15.44 H new ATOM 0 HD21 LEU A 57 9.794 -3.289 -1.975 1.00 3.30 H new ATOM 0 HD22 LEU A 57 11.571 -3.364 -1.939 1.00 3.30 H new ATOM 0 HD23 LEU A 57 10.660 -3.129 -0.429 1.00 3.30 H new ATOM 868 N ASP A 58 14.811 -0.595 0.560 1.00 14.50 N ATOM 869 CA ASP A 58 16.269 -0.706 0.563 1.00 70.03 C ATOM 870 C ASP A 58 16.830 -0.756 -0.860 1.00 42.21 C ATOM 871 O ASP A 58 17.779 -1.481 -1.151 1.00 24.12 O ATOM 872 CB ASP A 58 16.775 -1.849 1.461 1.00 24.03 C ATOM 873 CG ASP A 58 18.250 -1.668 1.832 1.00 41.12 C ATOM 874 OD1 ASP A 58 18.586 -0.636 2.453 1.00 61.11 O ATOM 875 OD2 ASP A 58 19.072 -2.578 1.562 1.00 1.20 O ATOM 0 H ASP A 58 14.496 0.308 0.914 1.00 14.50 H new ATOM 0 HA ASP A 58 16.662 0.204 1.016 1.00 70.03 H new ATOM 0 HB2 ASP A 58 16.174 -1.891 2.369 1.00 24.03 H new ATOM 0 HB3 ASP A 58 16.643 -2.801 0.947 1.00 24.03 H new ATOM 880 N GLY A 59 16.219 0.009 -1.771 1.00 32.13 N ATOM 881 CA GLY A 59 16.730 0.192 -3.122 1.00 52.15 C ATOM 882 C GLY A 59 16.381 -0.982 -4.038 1.00 1.30 C ATOM 883 O GLY A 59 17.217 -1.389 -4.854 1.00 42.31 O ATOM 0 H GLY A 59 15.354 0.517 -1.586 1.00 32.13 H new ATOM 0 HA2 GLY A 59 16.321 1.111 -3.541 1.00 52.15 H new ATOM 0 HA3 GLY A 59 17.813 0.312 -3.085 1.00 52.15 H new ATOM 887 N LYS A 60 15.200 -1.590 -3.854 1.00 24.00 N ATOM 888 CA LYS A 60 14.828 -2.845 -4.507 1.00 71.02 C ATOM 889 C LYS A 60 13.957 -2.664 -5.757 1.00 63.03 C ATOM 890 O LYS A 60 13.946 -3.559 -6.607 1.00 4.10 O ATOM 891 CB LYS A 60 14.120 -3.717 -3.478 1.00 41.33 C ATOM 892 CG LYS A 60 15.080 -4.677 -2.761 1.00 25.41 C ATOM 893 CD LYS A 60 14.320 -5.599 -1.796 1.00 3.20 C ATOM 894 CE LYS A 60 15.161 -6.131 -0.626 1.00 32.03 C ATOM 895 NZ LYS A 60 15.649 -5.047 0.252 1.00 12.41 N ATOM 0 H LYS A 60 14.473 -1.218 -3.242 1.00 24.00 H new ATOM 0 HA LYS A 60 15.741 -3.318 -4.867 1.00 71.02 H new ATOM 0 HB2 LYS A 60 13.631 -3.080 -2.741 1.00 41.33 H new ATOM 0 HB3 LYS A 60 13.337 -4.293 -3.971 1.00 41.33 H new ATOM 0 HG2 LYS A 60 15.616 -5.277 -3.496 1.00 25.41 H new ATOM 0 HG3 LYS A 60 15.827 -4.105 -2.210 1.00 25.41 H new ATOM 0 HD2 LYS A 60 13.464 -5.057 -1.394 1.00 3.20 H new ATOM 0 HD3 LYS A 60 13.926 -6.446 -2.358 1.00 3.20 H new ATOM 0 HE2 LYS A 60 14.563 -6.829 -0.040 1.00 32.03 H new ATOM 0 HE3 LYS A 60 16.011 -6.690 -1.017 1.00 32.03 H new ATOM 0 HZ1 LYS A 60 16.666 -4.900 0.089 1.00 12.41 H new ATOM 0 HZ2 LYS A 60 15.133 -4.169 0.039 1.00 12.41 H new ATOM 0 HZ3 LYS A 60 15.492 -5.308 1.246 1.00 12.41 H new ATOM 909 N ARG A 61 13.203 -1.568 -5.889 1.00 75.44 N ATOM 910 CA ARG A 61 12.362 -1.296 -7.066 1.00 22.30 C ATOM 911 C ARG A 61 12.335 0.207 -7.314 1.00 55.22 C ATOM 912 O ARG A 61 12.298 0.961 -6.337 1.00 60.44 O ATOM 913 CB ARG A 61 10.908 -1.773 -6.875 1.00 13.24 C ATOM 914 CG ARG A 61 10.719 -3.287 -6.773 1.00 11.11 C ATOM 915 CD ARG A 61 10.940 -4.033 -8.087 1.00 63.32 C ATOM 916 NE ARG A 61 10.745 -5.482 -7.905 1.00 5.44 N ATOM 917 CZ ARG A 61 11.705 -6.405 -7.751 1.00 42.54 C ATOM 918 NH1 ARG A 61 12.977 -6.048 -7.592 1.00 5.31 N ATOM 919 NH2 ARG A 61 11.376 -7.691 -7.787 1.00 32.00 N ATOM 0 H ARG A 61 13.157 -0.838 -5.179 1.00 75.44 H new ATOM 0 HA ARG A 61 12.792 -1.840 -7.907 1.00 22.30 H new ATOM 0 HB2 ARG A 61 10.509 -1.313 -5.971 1.00 13.24 H new ATOM 0 HB3 ARG A 61 10.311 -1.405 -7.710 1.00 13.24 H new ATOM 0 HG2 ARG A 61 11.408 -3.679 -6.025 1.00 11.11 H new ATOM 0 HG3 ARG A 61 9.710 -3.493 -6.416 1.00 11.11 H new ATOM 0 HD2 ARG A 61 10.248 -3.660 -8.843 1.00 63.32 H new ATOM 0 HD3 ARG A 61 11.948 -3.840 -8.455 1.00 63.32 H new ATOM 0 HE ARG A 61 9.782 -5.817 -7.895 1.00 5.44 H new ATOM 0 HH11 ARG A 61 13.233 -5.061 -7.586 1.00 5.31 H new ATOM 0 HH12 ARG A 61 13.696 -6.762 -7.476 1.00 5.31 H new ATOM 0 HH21 ARG A 61 10.404 -7.965 -7.930 1.00 32.00 H new ATOM 0 HH22 ARG A 61 12.095 -8.405 -7.671 1.00 32.00 H new ATOM 933 N PRO A 62 12.278 0.646 -8.580 1.00 1.42 N ATOM 934 CA PRO A 62 12.383 2.055 -8.913 1.00 54.45 C ATOM 935 C PRO A 62 11.200 2.837 -8.348 1.00 24.30 C ATOM 936 O PRO A 62 10.061 2.366 -8.374 1.00 1.40 O ATOM 937 CB PRO A 62 12.424 2.116 -10.441 1.00 20.23 C ATOM 938 CG PRO A 62 11.812 0.796 -10.902 1.00 60.45 C ATOM 939 CD PRO A 62 12.157 -0.171 -9.778 1.00 55.45 C ATOM 0 HA PRO A 62 13.274 2.509 -8.479 1.00 54.45 H new ATOM 0 HB2 PRO A 62 11.857 2.967 -10.818 1.00 20.23 H new ATOM 0 HB3 PRO A 62 13.445 2.227 -10.805 1.00 20.23 H new ATOM 0 HG2 PRO A 62 10.734 0.881 -11.041 1.00 60.45 H new ATOM 0 HG3 PRO A 62 12.232 0.470 -11.854 1.00 60.45 H new ATOM 0 HD2 PRO A 62 11.381 -0.927 -9.660 1.00 55.45 H new ATOM 0 HD3 PRO A 62 13.087 -0.699 -9.987 1.00 55.45 H new ATOM 947 N GLU A 63 11.459 4.070 -7.914 1.00 13.23 N ATOM 948 CA GLU A 63 10.464 5.000 -7.390 1.00 75.42 C ATOM 949 C GLU A 63 9.305 5.164 -8.380 1.00 51.55 C ATOM 950 O GLU A 63 8.149 5.217 -7.960 1.00 44.33 O ATOM 951 CB GLU A 63 11.174 6.319 -7.034 1.00 4.24 C ATOM 952 CG GLU A 63 10.282 7.443 -6.470 1.00 0.13 C ATOM 953 CD GLU A 63 11.027 8.335 -5.456 1.00 14.40 C ATOM 954 OE1 GLU A 63 12.223 8.653 -5.651 1.00 63.02 O ATOM 955 OE2 GLU A 63 10.436 8.686 -4.411 1.00 4.20 O ATOM 0 H GLU A 63 12.401 4.461 -7.919 1.00 13.23 H new ATOM 0 HA GLU A 63 10.008 4.615 -6.478 1.00 75.42 H new ATOM 0 HB2 GLU A 63 11.954 6.102 -6.304 1.00 4.24 H new ATOM 0 HB3 GLU A 63 11.671 6.693 -7.929 1.00 4.24 H new ATOM 0 HG2 GLU A 63 9.917 8.059 -7.291 1.00 0.13 H new ATOM 0 HG3 GLU A 63 9.409 7.003 -5.989 1.00 0.13 H new ATOM 962 N ALA A 64 9.604 5.162 -9.685 1.00 51.33 N ATOM 963 CA ALA A 64 8.614 5.204 -10.753 1.00 4.23 C ATOM 964 C ALA A 64 7.579 4.081 -10.625 1.00 22.11 C ATOM 965 O ALA A 64 6.380 4.372 -10.620 1.00 12.22 O ATOM 966 CB ALA A 64 9.321 5.135 -12.108 1.00 63.43 C ATOM 0 H ALA A 64 10.564 5.130 -10.029 1.00 51.33 H new ATOM 0 HA ALA A 64 8.070 6.145 -10.672 1.00 4.23 H new ATOM 0 HB1 ALA A 64 8.580 5.166 -12.907 1.00 63.43 H new ATOM 0 HB2 ALA A 64 9.999 5.983 -12.208 1.00 63.43 H new ATOM 0 HB3 ALA A 64 9.888 4.207 -12.176 1.00 63.43 H new ATOM 972 N GLU A 65 8.018 2.820 -10.539 1.00 24.23 N ATOM 973 CA GLU A 65 7.134 1.680 -10.358 1.00 54.23 C ATOM 974 C GLU A 65 6.400 1.809 -9.026 1.00 62.23 C ATOM 975 O GLU A 65 5.192 1.606 -8.968 1.00 35.21 O ATOM 976 CB GLU A 65 7.935 0.365 -10.418 1.00 1.13 C ATOM 977 CG GLU A 65 6.980 -0.838 -10.383 1.00 43.42 C ATOM 978 CD GLU A 65 7.636 -2.209 -10.591 1.00 43.23 C ATOM 979 OE1 GLU A 65 8.866 -2.348 -10.411 1.00 64.43 O ATOM 980 OE2 GLU A 65 6.910 -3.191 -10.900 1.00 41.55 O ATOM 0 H GLU A 65 9.005 2.568 -10.594 1.00 24.23 H new ATOM 0 HA GLU A 65 6.400 1.663 -11.163 1.00 54.23 H new ATOM 0 HB2 GLU A 65 8.535 0.337 -11.328 1.00 1.13 H new ATOM 0 HB3 GLU A 65 8.628 0.314 -9.578 1.00 1.13 H new ATOM 0 HG2 GLU A 65 6.465 -0.843 -9.422 1.00 43.42 H new ATOM 0 HG3 GLU A 65 6.220 -0.698 -11.151 1.00 43.42 H new ATOM 987 N VAL A 66 7.121 2.150 -7.957 1.00 60.15 N ATOM 988 CA VAL A 66 6.598 2.175 -6.602 1.00 22.32 C ATOM 989 C VAL A 66 5.380 3.102 -6.506 1.00 2.51 C ATOM 990 O VAL A 66 4.338 2.648 -6.015 1.00 21.13 O ATOM 991 CB VAL A 66 7.740 2.497 -5.617 1.00 61.45 C ATOM 992 CG1 VAL A 66 7.243 2.701 -4.186 1.00 12.53 C ATOM 993 CG2 VAL A 66 8.778 1.358 -5.577 1.00 75.45 C ATOM 0 H VAL A 66 8.103 2.421 -8.016 1.00 60.15 H new ATOM 0 HA VAL A 66 6.220 1.193 -6.317 1.00 22.32 H new ATOM 0 HB VAL A 66 8.186 3.422 -5.984 1.00 61.45 H new ATOM 0 HG11 VAL A 66 8.089 2.925 -3.536 1.00 12.53 H new ATOM 0 HG12 VAL A 66 6.536 3.531 -4.161 1.00 12.53 H new ATOM 0 HG13 VAL A 66 6.749 1.793 -3.840 1.00 12.53 H new ATOM 0 HG21 VAL A 66 9.571 1.613 -4.874 1.00 75.45 H new ATOM 0 HG22 VAL A 66 8.293 0.435 -5.258 1.00 75.45 H new ATOM 0 HG23 VAL A 66 9.204 1.219 -6.570 1.00 75.45 H new ATOM 1003 N ARG A 67 5.441 4.368 -6.955 1.00 54.53 N ATOM 1004 CA ARG A 67 4.230 5.207 -6.886 1.00 31.10 C ATOM 1005 C ARG A 67 3.139 4.663 -7.794 1.00 63.15 C ATOM 1006 O ARG A 67 1.993 4.590 -7.355 1.00 42.14 O ATOM 1007 CB ARG A 67 4.430 6.722 -7.085 1.00 12.31 C ATOM 1008 CG ARG A 67 5.509 7.214 -8.056 1.00 60.15 C ATOM 1009 CD ARG A 67 6.748 7.738 -7.319 1.00 41.31 C ATOM 1010 NE ARG A 67 6.481 8.992 -6.588 1.00 41.43 N ATOM 1011 CZ ARG A 67 6.880 9.305 -5.351 1.00 13.22 C ATOM 1012 NH1 ARG A 67 7.514 8.426 -4.595 1.00 41.41 N ATOM 1013 NH2 ARG A 67 6.632 10.509 -4.857 1.00 51.15 N ATOM 0 H ARG A 67 6.268 4.816 -7.350 1.00 54.53 H new ATOM 0 HA ARG A 67 3.916 5.131 -5.845 1.00 31.10 H new ATOM 0 HB2 ARG A 67 3.478 7.138 -7.415 1.00 12.31 H new ATOM 0 HB3 ARG A 67 4.646 7.155 -6.108 1.00 12.31 H new ATOM 0 HG2 ARG A 67 5.799 6.399 -8.719 1.00 60.15 H new ATOM 0 HG3 ARG A 67 5.099 8.005 -8.684 1.00 60.15 H new ATOM 0 HD2 ARG A 67 7.098 6.980 -6.618 1.00 41.31 H new ATOM 0 HD3 ARG A 67 7.551 7.903 -8.037 1.00 41.31 H new ATOM 0 HE ARG A 67 5.932 9.697 -7.080 1.00 41.43 H new ATOM 0 HH11 ARG A 67 7.707 7.490 -4.953 1.00 41.41 H new ATOM 0 HH12 ARG A 67 7.811 8.683 -3.654 1.00 41.41 H new ATOM 0 HH21 ARG A 67 6.136 11.199 -5.421 1.00 51.15 H new ATOM 0 HH22 ARG A 67 6.937 10.746 -3.913 1.00 51.15 H new ATOM 1027 N ALA A 68 3.470 4.228 -9.013 1.00 14.42 N ATOM 1028 CA ALA A 68 2.468 3.717 -9.944 1.00 2.12 C ATOM 1029 C ALA A 68 1.701 2.523 -9.368 1.00 62.23 C ATOM 1030 O ALA A 68 0.483 2.432 -9.552 1.00 41.33 O ATOM 1031 CB ALA A 68 3.140 3.333 -11.256 1.00 51.15 C ATOM 0 H ALA A 68 4.424 4.221 -9.375 1.00 14.42 H new ATOM 0 HA ALA A 68 1.740 4.509 -10.121 1.00 2.12 H new ATOM 0 HB1 ALA A 68 2.391 2.952 -11.950 1.00 51.15 H new ATOM 0 HB2 ALA A 68 3.622 4.210 -11.688 1.00 51.15 H new ATOM 0 HB3 ALA A 68 3.888 2.562 -11.070 1.00 51.15 H new ATOM 1037 N LYS A 69 2.400 1.634 -8.648 1.00 55.55 N ATOM 1038 CA LYS A 69 1.824 0.494 -7.944 1.00 41.34 C ATOM 1039 C LYS A 69 0.689 0.983 -7.051 1.00 32.13 C ATOM 1040 O LYS A 69 -0.445 0.513 -7.180 1.00 51.11 O ATOM 1041 CB LYS A 69 2.918 -0.232 -7.135 1.00 73.02 C ATOM 1042 CG LYS A 69 2.477 -1.633 -6.683 1.00 21.44 C ATOM 1043 CD LYS A 69 2.827 -2.683 -7.738 1.00 1.20 C ATOM 1044 CE LYS A 69 2.345 -4.080 -7.359 1.00 3.32 C ATOM 1045 NZ LYS A 69 1.348 -4.624 -8.291 1.00 4.41 N ATOM 0 H LYS A 69 3.412 1.696 -8.540 1.00 55.55 H new ATOM 0 HA LYS A 69 1.415 -0.223 -8.656 1.00 41.34 H new ATOM 0 HB2 LYS A 69 3.820 -0.316 -7.741 1.00 73.02 H new ATOM 0 HB3 LYS A 69 3.176 0.365 -6.260 1.00 73.02 H new ATOM 0 HG2 LYS A 69 2.962 -1.884 -5.740 1.00 21.44 H new ATOM 0 HG3 LYS A 69 1.402 -1.639 -6.501 1.00 21.44 H new ATOM 0 HD2 LYS A 69 2.384 -2.396 -8.692 1.00 1.20 H new ATOM 0 HD3 LYS A 69 3.907 -2.702 -7.882 1.00 1.20 H new ATOM 0 HE2 LYS A 69 3.201 -4.754 -7.320 1.00 3.32 H new ATOM 0 HE3 LYS A 69 1.917 -4.050 -6.357 1.00 3.32 H new ATOM 0 HZ1 LYS A 69 1.062 -5.574 -7.978 1.00 4.41 H new ATOM 0 HZ2 LYS A 69 0.516 -4.001 -8.312 1.00 4.41 H new ATOM 0 HZ3 LYS A 69 1.760 -4.683 -9.244 1.00 4.41 H new ATOM 1059 N TYR A 70 1.001 1.923 -6.154 1.00 42.44 N ATOM 1060 CA TYR A 70 0.091 2.461 -5.149 1.00 64.15 C ATOM 1061 C TYR A 70 -1.054 3.255 -5.783 1.00 23.40 C ATOM 1062 O TYR A 70 -2.225 3.039 -5.456 1.00 61.24 O ATOM 1063 CB TYR A 70 0.886 3.342 -4.174 1.00 32.00 C ATOM 1064 CG TYR A 70 0.047 3.910 -3.046 1.00 23.33 C ATOM 1065 CD1 TYR A 70 -0.395 3.059 -2.013 1.00 61.04 C ATOM 1066 CD2 TYR A 70 -0.271 5.284 -3.009 1.00 71.43 C ATOM 1067 CE1 TYR A 70 -1.172 3.576 -0.959 1.00 74.12 C ATOM 1068 CE2 TYR A 70 -1.059 5.793 -1.960 1.00 40.12 C ATOM 1069 CZ TYR A 70 -1.505 4.950 -0.921 1.00 53.12 C ATOM 1070 OH TYR A 70 -2.250 5.442 0.110 1.00 12.14 O ATOM 0 H TYR A 70 1.929 2.343 -6.110 1.00 42.44 H new ATOM 0 HA TYR A 70 -0.362 1.629 -4.610 1.00 64.15 H new ATOM 0 HB2 TYR A 70 1.701 2.756 -3.750 1.00 32.00 H new ATOM 0 HB3 TYR A 70 1.340 4.164 -4.728 1.00 32.00 H new ATOM 0 HD1 TYR A 70 -0.138 2.010 -2.030 1.00 61.04 H new ATOM 0 HD2 TYR A 70 0.090 5.944 -3.784 1.00 71.43 H new ATOM 0 HE1 TYR A 70 -1.516 2.919 -0.174 1.00 74.12 H new ATOM 0 HE2 TYR A 70 -1.325 6.840 -1.950 1.00 40.12 H new ATOM 0 HH TYR A 70 -2.825 4.733 0.466 1.00 12.14 H new ATOM 1080 N GLU A 71 -0.736 4.173 -6.694 1.00 24.43 N ATOM 1081 CA GLU A 71 -1.710 5.045 -7.332 1.00 34.11 C ATOM 1082 C GLU A 71 -2.707 4.242 -8.174 1.00 24.14 C ATOM 1083 O GLU A 71 -3.892 4.578 -8.206 1.00 55.45 O ATOM 1084 CB GLU A 71 -1.007 6.133 -8.155 1.00 40.43 C ATOM 1085 CG GLU A 71 -0.307 7.172 -7.268 1.00 11.54 C ATOM 1086 CD GLU A 71 0.251 8.357 -8.063 1.00 74.41 C ATOM 1087 OE1 GLU A 71 -0.557 9.065 -8.710 1.00 63.03 O ATOM 1088 OE2 GLU A 71 1.472 8.630 -7.984 1.00 24.44 O ATOM 0 H GLU A 71 0.220 4.331 -7.012 1.00 24.43 H new ATOM 0 HA GLU A 71 -2.285 5.545 -6.552 1.00 34.11 H new ATOM 0 HB2 GLU A 71 -0.274 5.669 -8.816 1.00 40.43 H new ATOM 0 HB3 GLU A 71 -1.737 6.634 -8.791 1.00 40.43 H new ATOM 0 HG2 GLU A 71 -1.012 7.541 -6.523 1.00 11.54 H new ATOM 0 HG3 GLU A 71 0.506 6.690 -6.725 1.00 11.54 H new ATOM 1095 N GLY A 72 -2.269 3.166 -8.835 1.00 60.02 N ATOM 1096 CA GLY A 72 -3.162 2.289 -9.587 1.00 61.43 C ATOM 1097 C GLY A 72 -4.042 1.428 -8.688 1.00 13.41 C ATOM 1098 O GLY A 72 -5.163 1.066 -9.058 1.00 33.43 O ATOM 0 H GLY A 72 -1.290 2.882 -8.862 1.00 60.02 H new ATOM 0 HA2 GLY A 72 -3.796 2.894 -10.236 1.00 61.43 H new ATOM 0 HA3 GLY A 72 -2.569 1.642 -10.233 1.00 61.43 H new ATOM 1102 N LEU A 73 -3.569 1.143 -7.474 1.00 42.13 N ATOM 1103 CA LEU A 73 -4.179 0.170 -6.584 1.00 53.54 C ATOM 1104 C LEU A 73 -5.548 0.585 -6.090 1.00 13.44 C ATOM 1105 O LEU A 73 -6.237 -0.251 -5.524 1.00 60.04 O ATOM 1106 CB LEU A 73 -3.272 -0.082 -5.374 1.00 23.13 C ATOM 1107 CG LEU A 73 -3.116 -1.560 -4.966 1.00 44.11 C ATOM 1108 CD1 LEU A 73 -2.645 -2.480 -6.105 1.00 1.43 C ATOM 1109 CD2 LEU A 73 -1.970 -1.551 -3.943 1.00 42.45 C ATOM 0 H LEU A 73 -2.741 1.590 -7.082 1.00 42.13 H new ATOM 0 HA LEU A 73 -4.304 -0.740 -7.171 1.00 53.54 H new ATOM 0 HB2 LEU A 73 -2.284 0.325 -5.590 1.00 23.13 H new ATOM 0 HB3 LEU A 73 -3.666 0.473 -4.523 1.00 23.13 H new ATOM 0 HG LEU A 73 -4.081 -1.932 -4.622 1.00 44.11 H new ATOM 0 HD11 LEU A 73 -2.560 -3.502 -5.736 1.00 1.43 H new ATOM 0 HD12 LEU A 73 -3.367 -2.447 -6.921 1.00 1.43 H new ATOM 0 HD13 LEU A 73 -1.673 -2.143 -6.466 1.00 1.43 H new ATOM 0 HD21 LEU A 73 -1.786 -2.567 -3.594 1.00 42.45 H new ATOM 0 HD22 LEU A 73 -1.067 -1.159 -4.411 1.00 42.45 H new ATOM 0 HD23 LEU A 73 -2.243 -0.920 -3.097 1.00 42.45 H new ATOM 1121 N MET A 74 -5.961 1.840 -6.269 1.00 42.31 N ATOM 1122 CA MET A 74 -7.294 2.289 -5.899 1.00 75.03 C ATOM 1123 C MET A 74 -8.352 1.415 -6.577 1.00 0.21 C ATOM 1124 O MET A 74 -9.246 0.891 -5.907 1.00 31.41 O ATOM 1125 CB MET A 74 -7.428 3.775 -6.251 1.00 73.31 C ATOM 1126 CG MET A 74 -8.744 4.364 -5.733 1.00 2.31 C ATOM 1127 SD MET A 74 -8.690 6.158 -5.502 1.00 71.21 S ATOM 1128 CE MET A 74 -7.691 6.229 -3.988 1.00 31.33 C ATOM 0 H MET A 74 -5.377 2.571 -6.675 1.00 42.31 H new ATOM 0 HA MET A 74 -7.454 2.185 -4.826 1.00 75.03 H new ATOM 0 HB2 MET A 74 -6.590 4.327 -5.825 1.00 73.31 H new ATOM 0 HB3 MET A 74 -7.375 3.899 -7.333 1.00 73.31 H new ATOM 0 HG2 MET A 74 -9.543 4.120 -6.433 1.00 2.31 H new ATOM 0 HG3 MET A 74 -8.996 3.891 -4.784 1.00 2.31 H new ATOM 0 HE1 MET A 74 -8.292 6.634 -3.174 1.00 31.33 H new ATOM 0 HE2 MET A 74 -7.355 5.226 -3.727 1.00 31.33 H new ATOM 0 HE3 MET A 74 -6.825 6.870 -4.153 1.00 31.33 H new ATOM 1138 N ALA A 75 -8.215 1.213 -7.889 1.00 44.34 N ATOM 1139 CA ALA A 75 -9.154 0.430 -8.670 1.00 35.30 C ATOM 1140 C ALA A 75 -9.086 -1.055 -8.287 1.00 74.42 C ATOM 1141 O ALA A 75 -10.134 -1.678 -8.102 1.00 71.55 O ATOM 1142 CB ALA A 75 -8.864 0.659 -10.154 1.00 35.12 C ATOM 0 H ALA A 75 -7.442 1.593 -8.436 1.00 44.34 H new ATOM 0 HA ALA A 75 -10.174 0.752 -8.459 1.00 35.30 H new ATOM 0 HB1 ALA A 75 -9.562 0.077 -10.755 1.00 35.12 H new ATOM 0 HB2 ALA A 75 -8.979 1.717 -10.388 1.00 35.12 H new ATOM 0 HB3 ALA A 75 -7.844 0.346 -10.378 1.00 35.12 H new ATOM 1148 N VAL A 76 -7.879 -1.618 -8.144 1.00 60.31 N ATOM 1149 CA VAL A 76 -7.688 -3.026 -7.770 1.00 60.04 C ATOM 1150 C VAL A 76 -8.307 -3.268 -6.393 1.00 13.11 C ATOM 1151 O VAL A 76 -9.052 -4.223 -6.185 1.00 25.40 O ATOM 1152 CB VAL A 76 -6.187 -3.401 -7.756 1.00 10.32 C ATOM 1153 CG1 VAL A 76 -5.971 -4.909 -7.522 1.00 2.30 C ATOM 1154 CG2 VAL A 76 -5.476 -2.997 -9.057 1.00 23.43 C ATOM 0 H VAL A 76 -7.006 -1.109 -8.285 1.00 60.31 H new ATOM 0 HA VAL A 76 -8.180 -3.656 -8.511 1.00 60.04 H new ATOM 0 HB VAL A 76 -5.754 -2.843 -6.926 1.00 10.32 H new ATOM 0 HG11 VAL A 76 -4.903 -5.128 -7.520 1.00 2.30 H new ATOM 0 HG12 VAL A 76 -6.402 -5.194 -6.562 1.00 2.30 H new ATOM 0 HG13 VAL A 76 -6.455 -5.474 -8.319 1.00 2.30 H new ATOM 0 HG21 VAL A 76 -4.425 -3.280 -9.000 1.00 23.43 H new ATOM 0 HG22 VAL A 76 -5.944 -3.505 -9.900 1.00 23.43 H new ATOM 0 HG23 VAL A 76 -5.554 -1.919 -9.195 1.00 23.43 H new ATOM 1164 N ALA A 77 -8.010 -2.384 -5.441 1.00 52.45 N ATOM 1165 CA ALA A 77 -8.436 -2.516 -4.067 1.00 73.12 C ATOM 1166 C ALA A 77 -9.970 -2.532 -3.990 1.00 12.32 C ATOM 1167 O ALA A 77 -10.565 -3.361 -3.303 1.00 54.14 O ATOM 1168 CB ALA A 77 -7.863 -1.369 -3.253 1.00 70.12 C ATOM 0 H ALA A 77 -7.457 -1.545 -5.616 1.00 52.45 H new ATOM 0 HA ALA A 77 -8.069 -3.457 -3.656 1.00 73.12 H new ATOM 0 HB1 ALA A 77 -8.182 -1.464 -2.215 1.00 70.12 H new ATOM 0 HB2 ALA A 77 -6.774 -1.396 -3.302 1.00 70.12 H new ATOM 0 HB3 ALA A 77 -8.221 -0.422 -3.657 1.00 70.12 H new ATOM 1174 N LYS A 78 -10.617 -1.619 -4.723 1.00 74.14 N ATOM 1175 CA LYS A 78 -12.072 -1.531 -4.766 1.00 64.54 C ATOM 1176 C LYS A 78 -12.698 -2.744 -5.427 1.00 45.14 C ATOM 1177 O LYS A 78 -13.806 -3.100 -5.024 1.00 21.13 O ATOM 1178 CB LYS A 78 -12.511 -0.260 -5.504 1.00 42.00 C ATOM 1179 CG LYS A 78 -12.525 0.969 -4.580 1.00 64.24 C ATOM 1180 CD LYS A 78 -13.224 2.178 -5.211 1.00 1.44 C ATOM 1181 CE LYS A 78 -14.694 1.861 -5.513 1.00 52.43 C ATOM 1182 NZ LYS A 78 -15.400 3.011 -6.097 1.00 64.13 N ATOM 0 H LYS A 78 -10.144 -0.924 -5.300 1.00 74.14 H new ATOM 0 HA LYS A 78 -12.420 -1.494 -3.734 1.00 64.54 H new ATOM 0 HB2 LYS A 78 -11.837 -0.076 -6.341 1.00 42.00 H new ATOM 0 HB3 LYS A 78 -13.506 -0.410 -5.923 1.00 42.00 H new ATOM 0 HG2 LYS A 78 -13.027 0.711 -3.647 1.00 64.24 H new ATOM 0 HG3 LYS A 78 -11.500 1.239 -4.327 1.00 64.24 H new ATOM 0 HD2 LYS A 78 -13.163 3.032 -4.537 1.00 1.44 H new ATOM 0 HD3 LYS A 78 -12.712 2.461 -6.131 1.00 1.44 H new ATOM 0 HE2 LYS A 78 -14.748 1.016 -6.200 1.00 52.43 H new ATOM 0 HE3 LYS A 78 -15.195 1.557 -4.594 1.00 52.43 H new ATOM 0 HZ1 LYS A 78 -16.174 3.301 -5.465 1.00 64.13 H new ATOM 0 HZ2 LYS A 78 -14.736 3.802 -6.216 1.00 64.13 H new ATOM 0 HZ3 LYS A 78 -15.791 2.745 -7.023 1.00 64.13 H new ATOM 1196 N ALA A 79 -12.026 -3.365 -6.402 1.00 11.45 N ATOM 1197 CA ALA A 79 -12.468 -4.640 -6.931 1.00 63.54 C ATOM 1198 C ALA A 79 -12.520 -5.643 -5.784 1.00 43.43 C ATOM 1199 O ALA A 79 -13.573 -6.223 -5.551 1.00 11.11 O ATOM 1200 CB ALA A 79 -11.561 -5.120 -8.068 1.00 72.33 C ATOM 0 H ALA A 79 -11.177 -2.999 -6.834 1.00 11.45 H new ATOM 0 HA ALA A 79 -13.463 -4.534 -7.363 1.00 63.54 H new ATOM 0 HB1 ALA A 79 -11.922 -6.079 -8.441 1.00 72.33 H new ATOM 0 HB2 ALA A 79 -11.573 -4.389 -8.876 1.00 72.33 H new ATOM 0 HB3 ALA A 79 -10.542 -5.235 -7.697 1.00 72.33 H new ATOM 1206 N GLN A 80 -11.426 -5.782 -5.029 1.00 23.21 N ATOM 1207 CA GLN A 80 -11.325 -6.777 -3.968 1.00 71.31 C ATOM 1208 C GLN A 80 -12.422 -6.653 -2.916 1.00 22.53 C ATOM 1209 O GLN A 80 -12.897 -7.675 -2.452 1.00 53.21 O ATOM 1210 CB GLN A 80 -9.949 -6.742 -3.296 1.00 30.42 C ATOM 1211 CG GLN A 80 -8.891 -7.316 -4.239 1.00 62.42 C ATOM 1212 CD GLN A 80 -7.581 -7.633 -3.537 1.00 45.50 C ATOM 1213 OE1 GLN A 80 -7.285 -7.128 -2.452 1.00 61.34 O ATOM 1214 NE2 GLN A 80 -6.766 -8.452 -4.183 1.00 71.22 N ATOM 0 H GLN A 80 -10.590 -5.208 -5.139 1.00 23.21 H new ATOM 0 HA GLN A 80 -11.459 -7.741 -4.459 1.00 71.31 H new ATOM 0 HB2 GLN A 80 -9.692 -5.717 -3.029 1.00 30.42 H new ATOM 0 HB3 GLN A 80 -9.973 -7.317 -2.370 1.00 30.42 H new ATOM 0 HG2 GLN A 80 -9.278 -8.224 -4.701 1.00 62.42 H new ATOM 0 HG3 GLN A 80 -8.703 -6.604 -5.043 1.00 62.42 H new ATOM 0 HE21 GLN A 80 -7.048 -8.850 -5.079 1.00 71.22 H new ATOM 0 HE22 GLN A 80 -5.856 -8.685 -3.785 1.00 71.22 H new ATOM 1223 N LEU A 81 -12.852 -5.452 -2.529 1.00 2.01 N ATOM 1224 CA LEU A 81 -13.894 -5.280 -1.516 1.00 23.32 C ATOM 1225 C LEU A 81 -15.282 -5.618 -2.068 1.00 13.43 C ATOM 1226 O LEU A 81 -16.200 -5.852 -1.281 1.00 2.31 O ATOM 1227 CB LEU A 81 -13.947 -3.805 -1.075 1.00 63.22 C ATOM 1228 CG LEU A 81 -12.757 -3.299 -0.252 1.00 50.10 C ATOM 1229 CD1 LEU A 81 -12.776 -1.773 -0.212 1.00 34.35 C ATOM 1230 CD2 LEU A 81 -12.759 -3.811 1.191 1.00 50.23 C ATOM 0 H LEU A 81 -12.491 -4.576 -2.906 1.00 2.01 H new ATOM 0 HA LEU A 81 -13.648 -5.947 -0.690 1.00 23.32 H new ATOM 0 HB2 LEU A 81 -14.035 -3.184 -1.967 1.00 63.22 H new ATOM 0 HB3 LEU A 81 -14.855 -3.655 -0.491 1.00 63.22 H new ATOM 0 HG LEU A 81 -11.861 -3.679 -0.742 1.00 50.10 H new ATOM 0 HD11 LEU A 81 -11.930 -1.414 0.373 1.00 34.35 H new ATOM 0 HD12 LEU A 81 -12.707 -1.382 -1.227 1.00 34.35 H new ATOM 0 HD13 LEU A 81 -13.705 -1.433 0.246 1.00 34.35 H new ATOM 0 HD21 LEU A 81 -11.891 -3.416 1.718 1.00 50.23 H new ATOM 0 HD22 LEU A 81 -13.669 -3.482 1.693 1.00 50.23 H new ATOM 0 HD23 LEU A 81 -12.719 -4.900 1.191 1.00 50.23 H new ATOM 1242 N MET A 82 -15.487 -5.574 -3.385 1.00 62.41 N ATOM 1243 CA MET A 82 -16.725 -6.076 -3.982 1.00 13.12 C ATOM 1244 C MET A 82 -16.660 -7.599 -4.110 1.00 72.41 C ATOM 1245 O MET A 82 -17.599 -8.316 -3.759 1.00 32.35 O ATOM 1246 CB MET A 82 -16.945 -5.439 -5.358 1.00 4.43 C ATOM 1247 CG MET A 82 -17.066 -3.912 -5.304 1.00 3.02 C ATOM 1248 SD MET A 82 -18.716 -3.248 -4.919 1.00 10.45 S ATOM 1249 CE MET A 82 -18.588 -3.031 -3.123 1.00 22.53 C ATOM 0 H MET A 82 -14.816 -5.198 -4.055 1.00 62.41 H new ATOM 0 HA MET A 82 -17.562 -5.810 -3.337 1.00 13.12 H new ATOM 0 HB2 MET A 82 -16.116 -5.708 -6.013 1.00 4.43 H new ATOM 0 HB3 MET A 82 -17.850 -5.853 -5.803 1.00 4.43 H new ATOM 0 HG2 MET A 82 -16.364 -3.539 -4.558 1.00 3.02 H new ATOM 0 HG3 MET A 82 -16.751 -3.509 -6.267 1.00 3.02 H new ATOM 0 HE1 MET A 82 -19.311 -2.285 -2.794 1.00 22.53 H new ATOM 0 HE2 MET A 82 -18.794 -3.979 -2.626 1.00 22.53 H new ATOM 0 HE3 MET A 82 -17.582 -2.699 -2.867 1.00 22.53 H new ATOM 1259 N ASP A 83 -15.526 -8.072 -4.612 1.00 45.23 N ATOM 1260 CA ASP A 83 -15.199 -9.449 -4.946 1.00 5.22 C ATOM 1261 C ASP A 83 -15.019 -10.310 -3.693 1.00 12.25 C ATOM 1262 O ASP A 83 -15.117 -11.532 -3.770 1.00 21.53 O ATOM 1263 CB ASP A 83 -13.913 -9.385 -5.778 1.00 32.21 C ATOM 1264 CG ASP A 83 -13.378 -10.735 -6.232 1.00 65.40 C ATOM 1265 OD1 ASP A 83 -13.782 -11.227 -7.309 1.00 43.10 O ATOM 1266 OD2 ASP A 83 -12.396 -11.208 -5.615 1.00 72.53 O ATOM 0 H ASP A 83 -14.746 -7.446 -4.812 1.00 45.23 H new ATOM 0 HA ASP A 83 -16.008 -9.920 -5.505 1.00 5.22 H new ATOM 0 HB2 ASP A 83 -14.097 -8.768 -6.658 1.00 32.21 H new ATOM 0 HB3 ASP A 83 -13.143 -8.883 -5.192 1.00 32.21 H new ATOM 1271 N GLU A 84 -14.781 -9.697 -2.528 1.00 62.42 N ATOM 1272 CA GLU A 84 -14.749 -10.396 -1.247 1.00 44.21 C ATOM 1273 C GLU A 84 -16.138 -10.876 -0.808 1.00 70.52 C ATOM 1274 O GLU A 84 -16.217 -11.826 -0.028 1.00 31.12 O ATOM 1275 CB GLU A 84 -14.040 -9.542 -0.171 1.00 62.30 C ATOM 1276 CG GLU A 84 -14.893 -8.405 0.361 1.00 53.42 C ATOM 1277 CD GLU A 84 -14.438 -7.919 1.736 1.00 73.53 C ATOM 1278 OE1 GLU A 84 -13.641 -6.960 1.837 1.00 22.52 O ATOM 1279 OE2 GLU A 84 -14.970 -8.399 2.761 1.00 33.52 O ATOM 0 H GLU A 84 -14.605 -8.695 -2.452 1.00 62.42 H new ATOM 0 HA GLU A 84 -14.158 -11.302 -1.379 1.00 44.21 H new ATOM 0 HB2 GLU A 84 -13.749 -10.186 0.659 1.00 62.30 H new ATOM 0 HB3 GLU A 84 -13.122 -9.131 -0.592 1.00 62.30 H new ATOM 0 HG2 GLU A 84 -14.862 -7.573 -0.342 1.00 53.42 H new ATOM 0 HG3 GLU A 84 -15.931 -8.732 0.421 1.00 53.42 H new ATOM 1286 N LEU A 85 -17.207 -10.206 -1.263 1.00 41.42 N ATOM 1287 CA LEU A 85 -18.533 -10.304 -0.652 1.00 1.22 C ATOM 1288 C LEU A 85 -19.033 -11.719 -0.763 1.00 72.53 C ATOM 1289 O LEU A 85 -19.306 -12.326 0.290 1.00 25.43 O ATOM 1290 CB LEU A 85 -19.541 -9.346 -1.312 1.00 22.45 C ATOM 1291 CG LEU A 85 -20.945 -9.467 -0.680 1.00 44.42 C ATOM 1292 CD1 LEU A 85 -20.922 -9.100 0.807 1.00 11.03 C ATOM 1293 CD2 LEU A 85 -21.930 -8.569 -1.419 1.00 42.23 C ATOM 0 H LEU A 85 -17.172 -9.580 -2.068 1.00 41.42 H new ATOM 0 HA LEU A 85 -18.441 -10.018 0.396 1.00 1.22 H new ATOM 0 HB2 LEU A 85 -19.185 -8.320 -1.214 1.00 22.45 H new ATOM 0 HB3 LEU A 85 -19.603 -9.562 -2.379 1.00 22.45 H new ATOM 0 HG LEU A 85 -21.263 -10.506 -0.768 1.00 44.42 H new ATOM 0 HD11 LEU A 85 -21.926 -9.196 1.221 1.00 11.03 H new ATOM 0 HD12 LEU A 85 -20.245 -9.771 1.337 1.00 11.03 H new ATOM 0 HD13 LEU A 85 -20.578 -8.072 0.923 1.00 11.03 H new ATOM 0 HD21 LEU A 85 -22.917 -8.661 -0.966 1.00 42.23 H new ATOM 0 HD22 LEU A 85 -21.597 -7.533 -1.355 1.00 42.23 H new ATOM 0 HD23 LEU A 85 -21.982 -8.869 -2.466 1.00 42.23 H new TER 1305 LEU A 85