USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 598 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 59 ASN : amide:sc= -1.33 K(o=-0.74,f=-17!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -117:sc= 0.594 (180deg=-6.32!) USER MOD Set 2.1: A 29 SER OG : rot -48:sc= 0.448 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -1.87 K(o=-1.4,f=-0.87) USER MOD Set 3.1: A 28 TYR OH : rot -130:sc= 1.07 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.267) USER MOD Set 4.1: A 16 LYS NZ :NH3+ 144:sc= 1.4 (180deg=-0.523) USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= -0.589! USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= 0.909 (180deg=-1.53!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.915 K(o=0.91,f=-5.4!) USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= -0.802! (180deg=-2.1!) USER MOD Single : A 24 MET CE :methyl -142:sc= 0 (180deg=-0.311) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 1.13 K(o=1.1,f=-2.4) USER MOD Single : A 35 THR OG1 : rot -86:sc= 0.814 USER MOD Single : A 40 ASN : amide:sc= 0.574 K(o=0.57,f=0) USER MOD Single : A 41 THR OG1 : rot 112:sc= 1.11 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 118:sc= 0.997 USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= -1.7! (180deg=-8.15!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= -2.95! (180deg=-7.93!) USER MOD Single : A 73 TYR OH : rot 93:sc= -1.86 USER MOD Single : A 76 LYS NZ :NH3+ -124:sc= -3.12! (180deg=-6.85!) USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= -1.39! (180deg=-4.83!) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -0.163 (180deg=-3!) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0.287 (180deg=0.112) USER MOD Single : A 84 TYR OH : rot -172:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 5.330 0.961 -0.795 1.00 0.78 N ATOM 42 CA GLU A 4 6.298 -0.106 -0.486 1.00 0.79 C ATOM 43 C GLU A 4 7.412 -0.059 -1.448 1.00 0.55 C ATOM 44 O GLU A 4 8.500 -0.522 -1.183 1.00 0.78 O ATOM 45 CB GLU A 4 5.549 -1.427 -0.518 1.00 0.99 C ATOM 46 CG GLU A 4 4.927 -1.683 0.911 1.00 1.26 C ATOM 47 CD GLU A 4 4.371 -0.400 1.551 1.00 1.19 C ATOM 48 OE1 GLU A 4 3.287 -0.014 1.150 1.00 0.85 O ATOM 49 OE2 GLU A 4 5.091 0.112 2.395 1.00 2.47 O ATOM 0 HA GLU A 4 6.738 0.021 0.503 1.00 0.79 H new ATOM 0 HB2 GLU A 4 4.764 -1.400 -1.274 1.00 0.99 H new ATOM 0 HB3 GLU A 4 6.224 -2.239 -0.789 1.00 0.99 H new ATOM 0 HG2 GLU A 4 4.128 -2.420 0.829 1.00 1.26 H new ATOM 0 HG3 GLU A 4 5.688 -2.110 1.564 1.00 1.26 H new ATOM 56 N PHE A 5 7.112 0.530 -2.557 1.00 0.20 N ATOM 57 CA PHE A 5 8.143 0.628 -3.579 1.00 0.15 C ATOM 58 C PHE A 5 9.002 1.890 -3.320 1.00 0.09 C ATOM 59 O PHE A 5 10.206 1.804 -3.260 1.00 0.14 O ATOM 60 CB PHE A 5 7.333 0.638 -4.813 1.00 0.13 C ATOM 61 CG PHE A 5 8.306 1.011 -5.899 1.00 0.18 C ATOM 62 CD1 PHE A 5 8.632 2.322 -6.084 1.00 1.34 C ATOM 63 CD2 PHE A 5 8.902 0.030 -6.642 1.00 1.05 C ATOM 64 CE1 PHE A 5 9.571 2.652 -7.020 1.00 1.36 C ATOM 65 CE2 PHE A 5 9.846 0.337 -7.585 1.00 1.05 C ATOM 66 CZ PHE A 5 10.182 1.662 -7.771 1.00 0.19 C ATOM 0 H PHE A 5 6.208 0.940 -2.790 1.00 0.20 H new ATOM 0 HA PHE A 5 8.885 -0.169 -3.615 1.00 0.15 H new ATOM 0 HB2 PHE A 5 6.883 -0.337 -5.001 1.00 0.13 H new ATOM 0 HB3 PHE A 5 6.517 1.358 -4.747 1.00 0.13 H new ATOM 0 HD1 PHE A 5 8.153 3.091 -5.497 1.00 1.34 H new ATOM 0 HD2 PHE A 5 8.624 -1.001 -6.483 1.00 1.05 H new ATOM 0 HE1 PHE A 5 9.837 3.687 -7.174 1.00 1.36 H new ATOM 0 HE2 PHE A 5 10.316 -0.440 -8.169 1.00 1.05 H new ATOM 0 HZ PHE A 5 10.926 1.929 -8.507 1.00 0.19 H new ATOM 76 N ASP A 6 8.378 3.023 -3.187 1.00 0.05 N ATOM 77 CA ASP A 6 9.096 4.297 -2.927 1.00 0.11 C ATOM 78 C ASP A 6 9.903 4.029 -1.673 1.00 0.16 C ATOM 79 O ASP A 6 11.097 4.218 -1.592 1.00 0.25 O ATOM 80 CB ASP A 6 7.974 5.300 -2.804 1.00 0.14 C ATOM 81 CG ASP A 6 7.120 5.178 -4.059 1.00 0.14 C ATOM 82 OD1 ASP A 6 7.421 5.842 -5.029 1.00 0.97 O ATOM 83 OD2 ASP A 6 6.202 4.380 -3.979 1.00 1.32 O ATOM 0 H ASP A 6 7.365 3.121 -3.250 1.00 0.05 H new ATOM 0 HA ASP A 6 9.799 4.672 -3.671 1.00 0.11 H new ATOM 0 HB2 ASP A 6 7.378 5.103 -1.913 1.00 0.14 H new ATOM 0 HB3 ASP A 6 8.371 6.310 -2.705 1.00 0.14 H new ATOM 88 N LYS A 7 9.157 3.560 -0.721 1.00 0.16 N ATOM 89 CA LYS A 7 9.751 3.204 0.595 1.00 0.24 C ATOM 90 C LYS A 7 10.951 2.344 0.243 1.00 0.24 C ATOM 91 O LYS A 7 12.060 2.673 0.583 1.00 0.23 O ATOM 92 CB LYS A 7 8.736 2.434 1.383 1.00 0.27 C ATOM 93 CG LYS A 7 9.355 1.775 2.613 1.00 0.54 C ATOM 94 CD LYS A 7 8.170 1.268 3.479 1.00 1.16 C ATOM 95 CE LYS A 7 8.675 0.855 4.844 1.00 1.39 C ATOM 96 NZ LYS A 7 9.326 2.066 5.441 1.00 1.77 N ATOM 0 H LYS A 7 8.152 3.406 -0.796 1.00 0.16 H new ATOM 0 HA LYS A 7 10.043 4.063 1.199 1.00 0.24 H new ATOM 0 HB2 LYS A 7 7.933 3.103 1.694 1.00 0.27 H new ATOM 0 HB3 LYS A 7 8.286 1.670 0.749 1.00 0.27 H new ATOM 0 HG2 LYS A 7 10.007 0.950 2.325 1.00 0.54 H new ATOM 0 HG3 LYS A 7 9.966 2.486 3.169 1.00 0.54 H new ATOM 0 HD2 LYS A 7 7.420 2.052 3.580 1.00 1.16 H new ATOM 0 HD3 LYS A 7 7.685 0.424 2.990 1.00 1.16 H new ATOM 0 HE2 LYS A 7 7.855 0.506 5.472 1.00 1.39 H new ATOM 0 HE3 LYS A 7 9.386 0.033 4.762 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 9.105 2.114 6.456 1.00 1.77 H new ATOM 0 HZ2 LYS A 7 10.356 2.005 5.313 1.00 1.77 H new ATOM 0 HZ3 LYS A 7 8.969 2.921 4.968 1.00 1.77 H new ATOM 110 N ALA A 8 10.735 1.258 -0.440 1.00 0.24 N ATOM 111 CA ALA A 8 11.896 0.403 -0.802 1.00 0.20 C ATOM 112 C ALA A 8 13.051 1.227 -1.425 1.00 0.19 C ATOM 113 O ALA A 8 14.164 1.146 -0.968 1.00 0.27 O ATOM 114 CB ALA A 8 11.376 -0.625 -1.747 1.00 0.14 C ATOM 0 H ALA A 8 9.823 0.929 -0.758 1.00 0.24 H new ATOM 0 HA ALA A 8 12.326 -0.063 0.084 1.00 0.20 H new ATOM 0 HB1 ALA A 8 12.189 -1.286 -2.049 1.00 0.14 H new ATOM 0 HB2 ALA A 8 10.597 -1.209 -1.257 1.00 0.14 H new ATOM 0 HB3 ALA A 8 10.962 -0.134 -2.627 1.00 0.14 H new ATOM 120 N ALA A 9 12.809 2.003 -2.440 1.00 0.13 N ATOM 121 CA ALA A 9 13.893 2.818 -3.072 1.00 0.25 C ATOM 122 C ALA A 9 14.601 3.746 -2.064 1.00 0.31 C ATOM 123 O ALA A 9 15.810 3.877 -2.064 1.00 0.77 O ATOM 124 CB ALA A 9 13.239 3.617 -4.176 1.00 0.27 C ATOM 0 H ALA A 9 11.891 2.113 -2.870 1.00 0.13 H new ATOM 0 HA ALA A 9 14.674 2.163 -3.459 1.00 0.25 H new ATOM 0 HB1 ALA A 9 13.989 4.233 -4.673 1.00 0.27 H new ATOM 0 HB2 ALA A 9 12.790 2.937 -4.900 1.00 0.27 H new ATOM 0 HB3 ALA A 9 12.466 4.258 -3.752 1.00 0.27 H new ATOM 130 N GLU A 10 13.794 4.326 -1.221 1.00 0.33 N ATOM 131 CA GLU A 10 14.258 5.276 -0.165 1.00 0.55 C ATOM 132 C GLU A 10 15.270 4.475 0.591 1.00 0.53 C ATOM 133 O GLU A 10 16.430 4.815 0.689 1.00 0.72 O ATOM 134 CB GLU A 10 12.994 5.662 0.684 1.00 0.69 C ATOM 135 CG GLU A 10 12.005 6.662 -0.013 1.00 1.29 C ATOM 136 CD GLU A 10 10.542 6.613 0.550 1.00 2.36 C ATOM 137 OE1 GLU A 10 10.355 6.367 1.735 1.00 2.68 O ATOM 138 OE2 GLU A 10 9.659 6.839 -0.268 1.00 3.34 O ATOM 0 H GLU A 10 12.785 4.174 -1.220 1.00 0.33 H new ATOM 0 HA GLU A 10 14.701 6.211 -0.508 1.00 0.55 H new ATOM 0 HB2 GLU A 10 12.450 4.751 0.932 1.00 0.69 H new ATOM 0 HB3 GLU A 10 13.327 6.101 1.625 1.00 0.69 H new ATOM 0 HG2 GLU A 10 12.392 7.675 0.098 1.00 1.29 H new ATOM 0 HG3 GLU A 10 11.979 6.446 -1.081 1.00 1.29 H new ATOM 145 N GLU A 11 14.739 3.400 1.056 1.00 0.37 N ATOM 146 CA GLU A 11 15.469 2.404 1.856 1.00 0.38 C ATOM 147 C GLU A 11 16.759 1.908 1.132 1.00 0.37 C ATOM 148 O GLU A 11 17.847 2.051 1.644 1.00 0.39 O ATOM 149 CB GLU A 11 14.294 1.449 2.093 1.00 0.50 C ATOM 150 CG GLU A 11 13.342 2.035 3.221 1.00 0.63 C ATOM 151 CD GLU A 11 13.010 1.163 4.438 1.00 0.81 C ATOM 152 OE1 GLU A 11 13.661 0.150 4.603 1.00 0.17 O ATOM 153 OE2 GLU A 11 12.096 1.552 5.161 1.00 1.61 O ATOM 0 H GLU A 11 13.761 3.156 0.902 1.00 0.37 H new ATOM 0 HA GLU A 11 15.947 2.694 2.792 1.00 0.38 H new ATOM 0 HB2 GLU A 11 13.734 1.310 1.168 1.00 0.50 H new ATOM 0 HB3 GLU A 11 14.665 0.468 2.391 1.00 0.50 H new ATOM 0 HG2 GLU A 11 13.795 2.955 3.589 1.00 0.63 H new ATOM 0 HG3 GLU A 11 12.400 2.311 2.747 1.00 0.63 H new ATOM 160 N VAL A 12 16.658 1.338 -0.041 1.00 0.31 N ATOM 161 CA VAL A 12 17.801 0.832 -0.837 1.00 0.31 C ATOM 162 C VAL A 12 18.832 1.936 -1.022 1.00 0.33 C ATOM 163 O VAL A 12 20.012 1.697 -0.857 1.00 0.34 O ATOM 164 CB VAL A 12 17.176 0.315 -2.139 1.00 0.28 C ATOM 165 CG1 VAL A 12 17.222 1.252 -3.284 1.00 0.24 C ATOM 166 CG2 VAL A 12 17.801 -0.953 -2.534 1.00 0.29 C ATOM 0 H VAL A 12 15.760 1.198 -0.503 1.00 0.31 H new ATOM 0 HA VAL A 12 18.355 0.025 -0.358 1.00 0.31 H new ATOM 0 HB VAL A 12 16.120 0.185 -1.902 1.00 0.28 H new ATOM 0 HG11 VAL A 12 16.754 0.788 -4.153 1.00 0.24 H new ATOM 0 HG12 VAL A 12 16.686 2.166 -3.028 1.00 0.24 H new ATOM 0 HG13 VAL A 12 18.260 1.493 -3.516 1.00 0.24 H new ATOM 0 HG21 VAL A 12 17.348 -1.309 -3.459 1.00 0.29 H new ATOM 0 HG22 VAL A 12 18.869 -0.800 -2.688 1.00 0.29 H new ATOM 0 HG23 VAL A 12 17.650 -1.693 -1.748 1.00 0.29 H new ATOM 176 N LYS A 13 18.416 3.130 -1.363 1.00 0.33 N ATOM 177 CA LYS A 13 19.424 4.199 -1.520 1.00 0.30 C ATOM 178 C LYS A 13 20.132 4.503 -0.192 1.00 0.34 C ATOM 179 O LYS A 13 21.005 5.347 -0.149 1.00 0.49 O ATOM 180 CB LYS A 13 18.762 5.478 -2.056 1.00 0.34 C ATOM 181 CG LYS A 13 19.390 5.645 -3.436 1.00 0.80 C ATOM 182 CD LYS A 13 19.268 7.094 -3.997 1.00 0.82 C ATOM 183 CE LYS A 13 20.405 7.290 -5.030 1.00 1.61 C ATOM 184 NZ LYS A 13 20.246 8.597 -5.739 1.00 1.63 N ATOM 0 H LYS A 13 17.447 3.398 -1.534 1.00 0.33 H new ATOM 0 HA LYS A 13 20.170 3.848 -2.233 1.00 0.30 H new ATOM 0 HB2 LYS A 13 17.679 5.375 -2.117 1.00 0.34 H new ATOM 0 HB3 LYS A 13 18.966 6.336 -1.415 1.00 0.34 H new ATOM 0 HG2 LYS A 13 20.444 5.370 -3.384 1.00 0.80 H new ATOM 0 HG3 LYS A 13 18.914 4.953 -4.130 1.00 0.80 H new ATOM 0 HD2 LYS A 13 18.295 7.243 -4.465 1.00 0.82 H new ATOM 0 HD3 LYS A 13 19.351 7.825 -3.193 1.00 0.82 H new ATOM 0 HE2 LYS A 13 21.371 7.257 -4.527 1.00 1.61 H new ATOM 0 HE3 LYS A 13 20.394 6.474 -5.752 1.00 1.61 H new ATOM 0 HZ1 LYS A 13 21.016 8.714 -6.428 1.00 1.63 H new ATOM 0 HZ2 LYS A 13 19.332 8.614 -6.235 1.00 1.63 H new ATOM 0 HZ3 LYS A 13 20.280 9.373 -5.048 1.00 1.63 H new ATOM 198 N HIS A 14 19.736 3.805 0.843 1.00 0.20 N ATOM 199 CA HIS A 14 20.346 3.986 2.194 1.00 0.22 C ATOM 200 C HIS A 14 21.139 2.694 2.538 1.00 0.17 C ATOM 201 O HIS A 14 21.564 2.496 3.660 1.00 0.22 O ATOM 202 CB HIS A 14 19.233 4.237 3.269 1.00 0.21 C ATOM 203 CG HIS A 14 18.675 5.660 3.171 1.00 0.30 C ATOM 204 ND1 HIS A 14 17.560 6.013 2.620 1.00 0.43 N ATOM 205 CD2 HIS A 14 19.213 6.849 3.631 1.00 0.42 C ATOM 206 CE1 HIS A 14 17.408 7.299 2.722 1.00 0.55 C ATOM 207 NE2 HIS A 14 18.415 7.856 3.344 1.00 0.57 N ATOM 0 H HIS A 14 18.998 3.101 0.806 1.00 0.20 H new ATOM 0 HA HIS A 14 21.010 4.851 2.191 1.00 0.22 H new ATOM 0 HB2 HIS A 14 18.425 3.517 3.134 1.00 0.21 H new ATOM 0 HB3 HIS A 14 19.643 4.073 4.265 1.00 0.21 H new ATOM 0 HD1 HIS A 14 16.899 5.378 2.173 1.00 0.43 H new ATOM 0 HD2 HIS A 14 20.155 6.938 4.152 1.00 0.42 H new ATOM 0 HE1 HIS A 14 16.556 7.841 2.340 1.00 0.55 H new ATOM 215 N LEU A 15 21.328 1.818 1.582 1.00 0.26 N ATOM 216 CA LEU A 15 22.084 0.570 1.822 1.00 0.26 C ATOM 217 C LEU A 15 23.579 0.784 2.017 1.00 0.24 C ATOM 218 O LEU A 15 24.326 0.611 1.077 1.00 0.48 O ATOM 219 CB LEU A 15 21.845 -0.312 0.633 1.00 0.33 C ATOM 220 CG LEU A 15 20.459 -0.857 0.674 1.00 0.24 C ATOM 221 CD1 LEU A 15 20.294 -1.506 -0.660 1.00 0.34 C ATOM 222 CD2 LEU A 15 20.308 -1.934 1.708 1.00 0.17 C ATOM 0 H LEU A 15 20.979 1.926 0.630 1.00 0.26 H new ATOM 0 HA LEU A 15 21.734 0.124 2.753 1.00 0.26 H new ATOM 0 HB2 LEU A 15 21.995 0.254 -0.286 1.00 0.33 H new ATOM 0 HB3 LEU A 15 22.566 -1.129 0.625 1.00 0.33 H new ATOM 0 HG LEU A 15 19.740 -0.071 0.906 1.00 0.24 H new ATOM 0 HD11 LEU A 15 19.298 -1.942 -0.732 1.00 0.34 H new ATOM 0 HD12 LEU A 15 20.422 -0.761 -1.445 1.00 0.34 H new ATOM 0 HD13 LEU A 15 21.042 -2.290 -0.778 1.00 0.34 H new ATOM 0 HD21 LEU A 15 19.282 -2.302 1.703 1.00 0.17 H new ATOM 0 HD22 LEU A 15 20.989 -2.754 1.481 1.00 0.17 H new ATOM 0 HD23 LEU A 15 20.543 -1.529 2.692 1.00 0.17 H new ATOM 234 N LYS A 16 24.005 1.166 3.191 1.00 0.44 N ATOM 235 CA LYS A 16 25.472 1.385 3.472 1.00 0.44 C ATOM 236 C LYS A 16 26.530 0.643 2.608 1.00 0.35 C ATOM 237 O LYS A 16 27.628 1.137 2.445 1.00 0.43 O ATOM 238 CB LYS A 16 25.690 1.067 5.007 1.00 0.50 C ATOM 239 CG LYS A 16 27.214 0.971 5.391 1.00 1.98 C ATOM 240 CD LYS A 16 27.702 -0.502 5.190 1.00 3.37 C ATOM 241 CE LYS A 16 29.222 -0.649 5.128 1.00 4.83 C ATOM 242 NZ LYS A 16 29.713 -0.010 3.872 1.00 6.07 N ATOM 0 H LYS A 16 23.393 1.341 3.988 1.00 0.44 H new ATOM 0 HA LYS A 16 25.665 2.419 3.186 1.00 0.44 H new ATOM 0 HB2 LYS A 16 25.215 1.844 5.607 1.00 0.50 H new ATOM 0 HB3 LYS A 16 25.196 0.127 5.254 1.00 0.50 H new ATOM 0 HG2 LYS A 16 27.801 1.649 4.772 1.00 1.98 H new ATOM 0 HG3 LYS A 16 27.361 1.277 6.427 1.00 1.98 H new ATOM 0 HD2 LYS A 16 27.321 -1.115 6.007 1.00 3.37 H new ATOM 0 HD3 LYS A 16 27.271 -0.894 4.269 1.00 3.37 H new ATOM 0 HE2 LYS A 16 29.683 -0.179 5.997 1.00 4.83 H new ATOM 0 HE3 LYS A 16 29.501 -1.702 5.150 1.00 4.83 H new ATOM 0 HZ1 LYS A 16 30.631 0.444 4.050 1.00 6.07 H new ATOM 0 HZ2 LYS A 16 29.822 -0.734 3.134 1.00 6.07 H new ATOM 0 HZ3 LYS A 16 29.028 0.706 3.556 1.00 6.07 H new ATOM 256 N THR A 17 26.201 -0.509 2.102 1.00 0.24 N ATOM 257 CA THR A 17 27.167 -1.300 1.258 1.00 0.27 C ATOM 258 C THR A 17 26.813 -1.838 -0.144 1.00 0.31 C ATOM 259 O THR A 17 26.054 -2.765 -0.266 1.00 0.19 O ATOM 260 CB THR A 17 27.687 -2.531 2.111 1.00 0.28 C ATOM 261 OG1 THR A 17 28.901 -2.120 2.735 1.00 0.59 O ATOM 262 CG2 THR A 17 28.190 -3.702 1.276 1.00 0.46 C ATOM 0 H THR A 17 25.292 -0.952 2.233 1.00 0.24 H new ATOM 0 HA THR A 17 27.879 -0.513 1.010 1.00 0.27 H new ATOM 0 HB THR A 17 26.850 -2.821 2.746 1.00 0.28 H new ATOM 0 HG1 THR A 17 29.256 -2.856 3.276 1.00 0.59 H new ATOM 0 HG21 THR A 17 28.527 -4.501 1.936 1.00 0.46 H new ATOM 0 HG22 THR A 17 27.383 -4.070 0.643 1.00 0.46 H new ATOM 0 HG23 THR A 17 29.020 -3.373 0.651 1.00 0.46 H new ATOM 270 N LYS A 18 27.336 -1.218 -1.160 1.00 0.49 N ATOM 271 CA LYS A 18 27.184 -1.580 -2.614 1.00 0.56 C ATOM 272 C LYS A 18 26.821 -3.112 -2.749 1.00 0.45 C ATOM 273 O LYS A 18 27.737 -3.913 -2.810 1.00 0.50 O ATOM 274 CB LYS A 18 28.572 -1.190 -3.194 1.00 0.74 C ATOM 275 CG LYS A 18 28.615 -0.937 -4.715 1.00 0.96 C ATOM 276 CD LYS A 18 28.331 -2.226 -5.503 1.00 2.06 C ATOM 277 CE LYS A 18 29.328 -3.353 -5.210 1.00 2.14 C ATOM 278 NZ LYS A 18 28.797 -4.512 -5.964 1.00 3.18 N ATOM 0 H LYS A 18 27.921 -0.393 -1.032 1.00 0.49 H new ATOM 0 HA LYS A 18 26.378 -1.076 -3.148 1.00 0.56 H new ATOM 0 HB2 LYS A 18 28.918 -0.291 -2.685 1.00 0.74 H new ATOM 0 HB3 LYS A 18 29.280 -1.983 -2.956 1.00 0.74 H new ATOM 0 HG2 LYS A 18 27.881 -0.177 -4.980 1.00 0.96 H new ATOM 0 HG3 LYS A 18 29.594 -0.546 -4.993 1.00 0.96 H new ATOM 0 HD2 LYS A 18 27.324 -2.572 -5.268 1.00 2.06 H new ATOM 0 HD3 LYS A 18 28.351 -2.002 -6.570 1.00 2.06 H new ATOM 0 HE2 LYS A 18 30.334 -3.091 -5.539 1.00 2.14 H new ATOM 0 HE3 LYS A 18 29.387 -3.565 -4.142 1.00 2.14 H new ATOM 0 HZ1 LYS A 18 29.580 -5.005 -6.440 1.00 3.18 H new ATOM 0 HZ2 LYS A 18 28.324 -5.166 -5.308 1.00 3.18 H new ATOM 0 HZ3 LYS A 18 28.114 -4.180 -6.674 1.00 3.18 H new ATOM 292 N PRO A 19 25.560 -3.486 -2.773 1.00 0.35 N ATOM 293 CA PRO A 19 25.170 -4.925 -2.893 1.00 0.30 C ATOM 294 C PRO A 19 25.819 -5.694 -4.067 1.00 0.39 C ATOM 295 O PRO A 19 26.575 -5.120 -4.836 1.00 0.48 O ATOM 296 CB PRO A 19 23.633 -4.825 -2.925 1.00 0.18 C ATOM 297 CG PRO A 19 23.387 -3.540 -2.047 1.00 0.17 C ATOM 298 CD PRO A 19 24.385 -2.586 -2.663 1.00 0.32 C ATOM 0 HA PRO A 19 25.541 -5.544 -2.076 1.00 0.30 H new ATOM 0 HB2 PRO A 19 23.250 -4.709 -3.939 1.00 0.18 H new ATOM 0 HB3 PRO A 19 23.155 -5.709 -2.503 1.00 0.18 H new ATOM 0 HG2 PRO A 19 22.363 -3.175 -2.125 1.00 0.17 H new ATOM 0 HG3 PRO A 19 23.582 -3.718 -0.989 1.00 0.17 H new ATOM 0 HD2 PRO A 19 24.057 -2.207 -3.631 1.00 0.32 H new ATOM 0 HD3 PRO A 19 24.580 -1.720 -2.031 1.00 0.32 H new ATOM 306 N ALA A 20 25.556 -6.971 -4.238 1.00 0.46 N ATOM 307 CA ALA A 20 26.229 -7.650 -5.404 1.00 0.45 C ATOM 308 C ALA A 20 25.717 -6.917 -6.657 1.00 0.28 C ATOM 309 O ALA A 20 24.528 -6.669 -6.759 1.00 0.16 O ATOM 310 CB ALA A 20 25.830 -9.134 -5.420 1.00 0.56 C ATOM 0 H ALA A 20 24.943 -7.547 -3.661 1.00 0.46 H new ATOM 0 HA ALA A 20 27.317 -7.609 -5.350 1.00 0.45 H new ATOM 0 HB1 ALA A 20 26.313 -9.632 -6.261 1.00 0.56 H new ATOM 0 HB2 ALA A 20 26.145 -9.606 -4.489 1.00 0.56 H new ATOM 0 HB3 ALA A 20 24.748 -9.219 -5.521 1.00 0.56 H new ATOM 316 N ASP A 21 26.565 -6.574 -7.588 1.00 0.36 N ATOM 317 CA ASP A 21 26.019 -5.860 -8.773 1.00 0.24 C ATOM 318 C ASP A 21 24.836 -6.664 -9.350 1.00 0.25 C ATOM 319 O ASP A 21 23.988 -6.076 -9.962 1.00 0.29 O ATOM 320 CB ASP A 21 27.249 -5.644 -9.682 1.00 0.18 C ATOM 321 CG ASP A 21 28.245 -4.911 -8.777 1.00 0.24 C ATOM 322 OD1 ASP A 21 27.973 -3.758 -8.485 1.00 0.84 O ATOM 323 OD2 ASP A 21 29.217 -5.526 -8.378 1.00 1.04 O ATOM 0 H ASP A 21 27.570 -6.748 -7.583 1.00 0.36 H new ATOM 0 HA ASP A 21 25.570 -4.885 -8.585 1.00 0.24 H new ATOM 0 HB2 ASP A 21 27.654 -6.591 -10.039 1.00 0.18 H new ATOM 0 HB3 ASP A 21 26.997 -5.053 -10.562 1.00 0.18 H new ATOM 328 N GLU A 22 24.766 -7.958 -9.162 1.00 0.27 N ATOM 329 CA GLU A 22 23.628 -8.779 -9.674 1.00 0.28 C ATOM 330 C GLU A 22 22.351 -8.324 -8.895 1.00 0.22 C ATOM 331 O GLU A 22 21.260 -8.140 -9.413 1.00 0.25 O ATOM 332 CB GLU A 22 23.950 -10.271 -9.413 1.00 0.33 C ATOM 333 CG GLU A 22 25.143 -10.738 -10.325 1.00 0.40 C ATOM 334 CD GLU A 22 25.601 -12.198 -10.066 1.00 0.61 C ATOM 335 OE1 GLU A 22 25.046 -12.835 -9.187 1.00 1.44 O ATOM 336 OE2 GLU A 22 26.504 -12.604 -10.781 1.00 0.85 O ATOM 0 H GLU A 22 25.473 -8.494 -8.659 1.00 0.27 H new ATOM 0 HA GLU A 22 23.466 -8.649 -10.744 1.00 0.28 H new ATOM 0 HB2 GLU A 22 24.206 -10.417 -8.364 1.00 0.33 H new ATOM 0 HB3 GLU A 22 23.069 -10.881 -9.614 1.00 0.33 H new ATOM 0 HG2 GLU A 22 24.848 -10.640 -11.370 1.00 0.40 H new ATOM 0 HG3 GLU A 22 25.990 -10.069 -10.169 1.00 0.40 H new ATOM 343 N GLU A 23 22.515 -8.129 -7.616 1.00 0.16 N ATOM 344 CA GLU A 23 21.354 -7.692 -6.789 1.00 0.14 C ATOM 345 C GLU A 23 21.026 -6.259 -7.216 1.00 0.12 C ATOM 346 O GLU A 23 19.860 -5.907 -7.283 1.00 0.13 O ATOM 347 CB GLU A 23 21.768 -7.808 -5.293 1.00 0.11 C ATOM 348 CG GLU A 23 21.997 -9.339 -4.960 1.00 0.13 C ATOM 349 CD GLU A 23 22.492 -9.569 -3.512 1.00 0.55 C ATOM 350 OE1 GLU A 23 23.166 -8.685 -3.007 1.00 1.77 O ATOM 351 OE2 GLU A 23 22.184 -10.622 -2.970 1.00 1.10 O ATOM 0 H GLU A 23 23.393 -8.252 -7.111 1.00 0.16 H new ATOM 0 HA GLU A 23 20.462 -8.303 -6.926 1.00 0.14 H new ATOM 0 HB2 GLU A 23 22.678 -7.238 -5.105 1.00 0.11 H new ATOM 0 HB3 GLU A 23 20.992 -7.391 -4.651 1.00 0.11 H new ATOM 0 HG2 GLU A 23 21.064 -9.883 -5.111 1.00 0.13 H new ATOM 0 HG3 GLU A 23 22.724 -9.753 -5.658 1.00 0.13 H new ATOM 358 N MET A 24 22.052 -5.489 -7.508 1.00 0.15 N ATOM 359 CA MET A 24 21.857 -4.094 -7.941 1.00 0.21 C ATOM 360 C MET A 24 21.084 -4.276 -9.275 1.00 0.22 C ATOM 361 O MET A 24 20.042 -3.698 -9.412 1.00 0.21 O ATOM 362 CB MET A 24 23.282 -3.515 -8.034 1.00 0.23 C ATOM 363 CG MET A 24 23.983 -3.496 -6.665 1.00 0.27 C ATOM 364 SD MET A 24 25.484 -2.488 -6.613 1.00 0.76 S ATOM 365 CE MET A 24 24.729 -0.877 -6.283 1.00 0.44 C ATOM 0 H MET A 24 23.026 -5.788 -7.459 1.00 0.15 H new ATOM 0 HA MET A 24 21.295 -3.403 -7.312 1.00 0.21 H new ATOM 0 HB2 MET A 24 23.870 -4.108 -8.735 1.00 0.23 H new ATOM 0 HB3 MET A 24 23.237 -2.502 -8.433 1.00 0.23 H new ATOM 0 HG2 MET A 24 23.283 -3.124 -5.916 1.00 0.27 H new ATOM 0 HG3 MET A 24 24.236 -4.519 -6.385 1.00 0.27 H new ATOM 0 HE1 MET A 24 25.262 -0.105 -6.838 1.00 0.44 H new ATOM 0 HE2 MET A 24 23.685 -0.894 -6.595 1.00 0.44 H new ATOM 0 HE3 MET A 24 24.785 -0.661 -5.216 1.00 0.44 H new ATOM 375 N LEU A 25 21.587 -5.037 -10.211 1.00 0.26 N ATOM 376 CA LEU A 25 20.978 -5.352 -11.543 1.00 0.30 C ATOM 377 C LEU A 25 19.458 -5.425 -11.399 1.00 0.24 C ATOM 378 O LEU A 25 18.689 -4.680 -11.992 1.00 0.27 O ATOM 379 CB LEU A 25 21.628 -6.690 -11.955 1.00 0.37 C ATOM 380 CG LEU A 25 22.776 -6.485 -12.899 1.00 0.54 C ATOM 381 CD1 LEU A 25 23.804 -7.568 -12.883 1.00 0.61 C ATOM 382 CD2 LEU A 25 22.217 -6.358 -14.304 1.00 0.69 C ATOM 0 H LEU A 25 22.489 -5.498 -10.088 1.00 0.26 H new ATOM 0 HA LEU A 25 21.157 -4.598 -12.310 1.00 0.30 H new ATOM 0 HB2 LEU A 25 21.978 -7.213 -11.065 1.00 0.37 H new ATOM 0 HB3 LEU A 25 20.880 -7.328 -12.426 1.00 0.37 H new ATOM 0 HG LEU A 25 23.292 -5.584 -12.568 1.00 0.54 H new ATOM 0 HD11 LEU A 25 24.593 -7.331 -13.597 1.00 0.61 H new ATOM 0 HD12 LEU A 25 24.231 -7.649 -11.884 1.00 0.61 H new ATOM 0 HD13 LEU A 25 23.339 -8.515 -13.157 1.00 0.61 H new ATOM 0 HD21 LEU A 25 23.035 -6.208 -15.009 1.00 0.69 H new ATOM 0 HD22 LEU A 25 21.676 -7.268 -14.564 1.00 0.69 H new ATOM 0 HD23 LEU A 25 21.538 -5.507 -14.350 1.00 0.69 H new ATOM 394 N PHE A 26 19.120 -6.376 -10.569 1.00 0.16 N ATOM 395 CA PHE A 26 17.691 -6.616 -10.277 1.00 0.17 C ATOM 396 C PHE A 26 17.058 -5.319 -9.786 1.00 0.16 C ATOM 397 O PHE A 26 16.105 -4.831 -10.358 1.00 0.17 O ATOM 398 CB PHE A 26 17.599 -7.680 -9.207 1.00 0.18 C ATOM 399 CG PHE A 26 16.134 -8.003 -8.902 1.00 0.27 C ATOM 400 CD1 PHE A 26 15.259 -7.071 -8.348 1.00 1.26 C ATOM 401 CD2 PHE A 26 15.677 -9.276 -9.189 1.00 0.94 C ATOM 402 CE1 PHE A 26 13.954 -7.445 -8.102 1.00 1.28 C ATOM 403 CE2 PHE A 26 14.373 -9.636 -8.935 1.00 1.03 C ATOM 404 CZ PHE A 26 13.517 -8.716 -8.390 1.00 0.60 C ATOM 0 H PHE A 26 19.775 -6.991 -10.086 1.00 0.16 H new ATOM 0 HA PHE A 26 17.164 -6.948 -11.171 1.00 0.17 H new ATOM 0 HB2 PHE A 26 18.116 -8.581 -9.536 1.00 0.18 H new ATOM 0 HB3 PHE A 26 18.099 -7.338 -8.301 1.00 0.18 H new ATOM 0 HD1 PHE A 26 15.597 -6.072 -8.115 1.00 1.26 H new ATOM 0 HD2 PHE A 26 16.354 -9.999 -9.619 1.00 0.94 H new ATOM 0 HE1 PHE A 26 13.266 -6.729 -7.677 1.00 1.28 H new ATOM 0 HE2 PHE A 26 14.028 -10.634 -9.163 1.00 1.03 H new ATOM 0 HZ PHE A 26 12.493 -8.991 -8.185 1.00 0.60 H new ATOM 414 N ILE A 27 17.601 -4.791 -8.723 1.00 0.19 N ATOM 415 CA ILE A 27 17.053 -3.526 -8.160 1.00 0.25 C ATOM 416 C ILE A 27 16.892 -2.492 -9.286 1.00 0.20 C ATOM 417 O ILE A 27 15.795 -2.014 -9.485 1.00 0.21 O ATOM 418 CB ILE A 27 18.031 -3.180 -7.056 1.00 0.31 C ATOM 419 CG1 ILE A 27 17.944 -4.358 -5.999 1.00 0.33 C ATOM 420 CG2 ILE A 27 17.534 -1.894 -6.456 1.00 0.29 C ATOM 421 CD1 ILE A 27 16.860 -4.143 -4.968 1.00 0.26 C ATOM 0 H ILE A 27 18.399 -5.181 -8.221 1.00 0.19 H new ATOM 0 HA ILE A 27 16.049 -3.583 -7.738 1.00 0.25 H new ATOM 0 HB ILE A 27 19.061 -3.064 -7.393 1.00 0.31 H new ATOM 0 HG12 ILE A 27 17.760 -5.296 -6.522 1.00 0.33 H new ATOM 0 HG13 ILE A 27 18.905 -4.458 -5.494 1.00 0.33 H new ATOM 0 HG21 ILE A 27 18.199 -1.588 -5.649 1.00 0.29 H new ATOM 0 HG22 ILE A 27 17.513 -1.119 -7.222 1.00 0.29 H new ATOM 0 HG23 ILE A 27 16.529 -2.041 -6.061 1.00 0.29 H new ATOM 0 HD11 ILE A 27 16.849 -4.982 -4.272 1.00 0.26 H new ATOM 0 HD12 ILE A 27 17.055 -3.220 -4.422 1.00 0.26 H new ATOM 0 HD13 ILE A 27 15.893 -4.072 -5.466 1.00 0.26 H new ATOM 433 N TYR A 28 17.948 -2.149 -9.979 1.00 0.21 N ATOM 434 CA TYR A 28 17.812 -1.165 -11.107 1.00 0.28 C ATOM 435 C TYR A 28 16.659 -1.520 -12.042 1.00 0.20 C ATOM 436 O TYR A 28 15.734 -0.746 -12.103 1.00 0.14 O ATOM 437 CB TYR A 28 19.065 -1.135 -11.959 1.00 0.41 C ATOM 438 CG TYR A 28 18.994 -0.113 -13.056 1.00 0.44 C ATOM 439 CD1 TYR A 28 19.240 1.195 -12.734 1.00 0.17 C ATOM 440 CD2 TYR A 28 18.721 -0.459 -14.348 1.00 0.91 C ATOM 441 CE1 TYR A 28 19.218 2.156 -13.693 1.00 0.17 C ATOM 442 CE2 TYR A 28 18.702 0.519 -15.320 1.00 0.90 C ATOM 443 CZ TYR A 28 18.949 1.837 -15.004 1.00 0.43 C ATOM 444 OH TYR A 28 18.921 2.825 -15.962 1.00 0.43 O ATOM 0 H TYR A 28 18.892 -2.501 -9.819 1.00 0.21 H new ATOM 0 HA TYR A 28 17.632 -0.199 -10.635 1.00 0.28 H new ATOM 0 HB2 TYR A 28 19.926 -0.923 -11.325 1.00 0.41 H new ATOM 0 HB3 TYR A 28 19.226 -2.121 -12.396 1.00 0.41 H new ATOM 0 HD1 TYR A 28 19.453 1.464 -11.710 1.00 0.17 H new ATOM 0 HD2 TYR A 28 18.522 -1.489 -14.606 1.00 0.91 H new ATOM 0 HE1 TYR A 28 19.414 3.183 -13.423 1.00 0.17 H new ATOM 0 HE2 TYR A 28 18.490 0.248 -16.344 1.00 0.90 H new ATOM 0 HH TYR A 28 18.094 2.752 -16.483 1.00 0.43 H new ATOM 454 N SER A 29 16.734 -2.641 -12.714 1.00 0.21 N ATOM 455 CA SER A 29 15.634 -3.032 -13.653 1.00 0.21 C ATOM 456 C SER A 29 14.246 -2.792 -13.060 1.00 0.15 C ATOM 457 O SER A 29 13.485 -2.004 -13.589 1.00 0.14 O ATOM 458 CB SER A 29 15.849 -4.511 -14.024 1.00 0.24 C ATOM 459 OG SER A 29 15.649 -5.213 -12.804 1.00 0.59 O ATOM 0 H SER A 29 17.508 -3.303 -12.654 1.00 0.21 H new ATOM 0 HA SER A 29 15.674 -2.407 -14.545 1.00 0.21 H new ATOM 0 HB2 SER A 29 15.144 -4.835 -14.790 1.00 0.24 H new ATOM 0 HB3 SER A 29 16.850 -4.680 -14.420 1.00 0.24 H new ATOM 0 HG SER A 29 16.167 -4.784 -12.091 1.00 0.59 H new ATOM 465 N HIS A 30 13.946 -3.451 -11.981 1.00 0.13 N ATOM 466 CA HIS A 30 12.626 -3.279 -11.337 1.00 0.13 C ATOM 467 C HIS A 30 12.405 -1.799 -10.913 1.00 0.09 C ATOM 468 O HIS A 30 11.402 -1.223 -11.276 1.00 0.11 O ATOM 469 CB HIS A 30 12.685 -4.306 -10.231 1.00 0.12 C ATOM 470 CG HIS A 30 12.567 -5.696 -10.875 1.00 0.13 C ATOM 471 ND1 HIS A 30 11.474 -6.200 -11.351 1.00 0.83 N ATOM 472 CD2 HIS A 30 13.511 -6.680 -11.101 1.00 0.87 C ATOM 473 CE1 HIS A 30 11.705 -7.383 -11.831 1.00 0.50 C ATOM 474 NE2 HIS A 30 12.962 -7.719 -11.694 1.00 0.60 N ATOM 0 H HIS A 30 14.569 -4.109 -11.514 1.00 0.13 H new ATOM 0 HA HIS A 30 11.753 -3.451 -11.967 1.00 0.13 H new ATOM 0 HB2 HIS A 30 13.620 -4.219 -9.678 1.00 0.12 H new ATOM 0 HB3 HIS A 30 11.877 -4.146 -9.517 1.00 0.12 H new ATOM 0 HD2 HIS A 30 14.554 -6.607 -10.829 1.00 0.87 H new ATOM 0 HE1 HIS A 30 10.954 -8.011 -12.286 1.00 0.50 H new ATOM 0 HE2 HIS A 30 13.413 -8.587 -11.981 1.00 0.60 H new ATOM 482 N TYR A 31 13.303 -1.205 -10.175 1.00 0.07 N ATOM 483 CA TYR A 31 13.189 0.221 -9.726 1.00 0.10 C ATOM 484 C TYR A 31 12.891 1.181 -10.924 1.00 0.17 C ATOM 485 O TYR A 31 11.933 1.925 -10.942 1.00 0.25 O ATOM 486 CB TYR A 31 14.516 0.625 -9.087 1.00 0.11 C ATOM 487 CG TYR A 31 14.389 2.063 -8.639 1.00 0.10 C ATOM 488 CD1 TYR A 31 13.467 2.487 -7.706 1.00 1.09 C ATOM 489 CD2 TYR A 31 15.202 2.958 -9.256 1.00 1.05 C ATOM 490 CE1 TYR A 31 13.359 3.832 -7.408 1.00 1.14 C ATOM 491 CE2 TYR A 31 15.096 4.293 -8.965 1.00 1.00 C ATOM 492 CZ TYR A 31 14.183 4.728 -8.050 1.00 0.10 C ATOM 493 OH TYR A 31 14.119 6.078 -7.817 1.00 0.11 O ATOM 0 H TYR A 31 14.151 -1.669 -9.849 1.00 0.07 H new ATOM 0 HA TYR A 31 12.364 0.300 -9.018 1.00 0.10 H new ATOM 0 HB2 TYR A 31 14.745 -0.021 -8.240 1.00 0.11 H new ATOM 0 HB3 TYR A 31 15.333 0.517 -9.800 1.00 0.11 H new ATOM 0 HD1 TYR A 31 12.831 1.770 -7.209 1.00 1.09 H new ATOM 0 HD2 TYR A 31 15.932 2.618 -9.976 1.00 1.05 H new ATOM 0 HE1 TYR A 31 12.638 4.175 -6.681 1.00 1.14 H new ATOM 0 HE2 TYR A 31 15.739 5.004 -9.463 1.00 1.00 H new ATOM 0 HH TYR A 31 14.786 6.537 -8.369 1.00 0.11 H new ATOM 503 N LYS A 32 13.754 1.125 -11.901 1.00 0.13 N ATOM 504 CA LYS A 32 13.663 1.955 -13.139 1.00 0.17 C ATOM 505 C LYS A 32 12.324 1.615 -13.844 1.00 0.14 C ATOM 506 O LYS A 32 11.587 2.530 -14.141 1.00 0.13 O ATOM 507 CB LYS A 32 14.903 1.597 -13.911 1.00 0.17 C ATOM 508 CG LYS A 32 16.196 1.943 -13.117 1.00 0.18 C ATOM 509 CD LYS A 32 16.522 3.453 -12.811 1.00 0.34 C ATOM 510 CE LYS A 32 16.724 4.257 -14.078 1.00 0.26 C ATOM 511 NZ LYS A 32 17.806 5.295 -13.887 1.00 0.32 N ATOM 0 H LYS A 32 14.562 0.503 -11.889 1.00 0.13 H new ATOM 0 HA LYS A 32 13.639 3.035 -12.991 1.00 0.17 H new ATOM 0 HB2 LYS A 32 14.892 0.532 -14.143 1.00 0.17 H new ATOM 0 HB3 LYS A 32 14.906 2.130 -14.862 1.00 0.17 H new ATOM 0 HG2 LYS A 32 16.148 1.417 -12.164 1.00 0.18 H new ATOM 0 HG3 LYS A 32 17.041 1.529 -13.667 1.00 0.18 H new ATOM 0 HD2 LYS A 32 15.709 3.889 -12.231 1.00 0.34 H new ATOM 0 HD3 LYS A 32 17.420 3.513 -12.196 1.00 0.34 H new ATOM 0 HE2 LYS A 32 16.993 3.591 -14.898 1.00 0.26 H new ATOM 0 HE3 LYS A 32 15.790 4.745 -14.357 1.00 0.26 H new ATOM 0 HZ1 LYS A 32 17.591 6.131 -14.467 1.00 0.32 H new ATOM 0 HZ2 LYS A 32 17.850 5.570 -12.885 1.00 0.32 H new ATOM 0 HZ3 LYS A 32 18.722 4.899 -14.178 1.00 0.32 H new ATOM 525 N GLN A 33 11.991 0.378 -14.146 1.00 0.14 N ATOM 526 CA GLN A 33 10.637 0.167 -14.797 1.00 0.16 C ATOM 527 C GLN A 33 9.520 0.744 -13.894 1.00 0.19 C ATOM 528 O GLN A 33 8.722 1.537 -14.365 1.00 0.34 O ATOM 529 CB GLN A 33 10.397 -1.339 -15.068 1.00 0.15 C ATOM 530 CG GLN A 33 9.893 -1.628 -16.564 1.00 0.60 C ATOM 531 CD GLN A 33 8.365 -1.306 -16.679 1.00 0.83 C ATOM 532 OE1 GLN A 33 7.625 -1.556 -15.752 1.00 1.34 O ATOM 533 NE2 GLN A 33 7.798 -0.787 -17.722 1.00 1.53 N ATOM 0 H GLN A 33 12.555 -0.456 -13.985 1.00 0.14 H new ATOM 0 HA GLN A 33 10.619 0.692 -15.752 1.00 0.16 H new ATOM 0 HB2 GLN A 33 11.321 -1.888 -14.888 1.00 0.15 H new ATOM 0 HB3 GLN A 33 9.659 -1.718 -14.361 1.00 0.15 H new ATOM 0 HG2 GLN A 33 10.457 -1.020 -17.272 1.00 0.60 H new ATOM 0 HG3 GLN A 33 10.075 -2.671 -16.824 1.00 0.60 H new ATOM 0 HE21 GLN A 33 8.357 -0.550 -18.541 1.00 1.53 H new ATOM 0 HE22 GLN A 33 6.793 -0.616 -17.724 1.00 1.53 H new ATOM 542 N ALA A 34 9.484 0.370 -12.637 1.00 0.09 N ATOM 543 CA ALA A 34 8.423 0.905 -11.717 1.00 0.16 C ATOM 544 C ALA A 34 8.347 2.440 -11.739 1.00 0.20 C ATOM 545 O ALA A 34 7.274 2.991 -11.871 1.00 0.28 O ATOM 546 CB ALA A 34 8.725 0.442 -10.320 1.00 0.19 C ATOM 0 H ALA A 34 10.141 -0.281 -12.207 1.00 0.09 H new ATOM 0 HA ALA A 34 7.459 0.529 -12.058 1.00 0.16 H new ATOM 0 HB1 ALA A 34 7.964 0.822 -9.638 1.00 0.19 H new ATOM 0 HB2 ALA A 34 8.728 -0.648 -10.290 1.00 0.19 H new ATOM 0 HB3 ALA A 34 9.703 0.816 -10.016 1.00 0.19 H new ATOM 552 N THR A 35 9.463 3.108 -11.624 1.00 0.18 N ATOM 553 CA THR A 35 9.486 4.624 -11.631 1.00 0.19 C ATOM 554 C THR A 35 9.498 5.194 -13.041 1.00 0.21 C ATOM 555 O THR A 35 8.635 5.980 -13.378 1.00 0.20 O ATOM 556 CB THR A 35 10.733 5.125 -10.906 1.00 0.19 C ATOM 557 OG1 THR A 35 11.778 4.530 -11.650 1.00 0.22 O ATOM 558 CG2 THR A 35 10.850 4.483 -9.562 1.00 0.15 C ATOM 0 H THR A 35 10.380 2.673 -11.523 1.00 0.18 H new ATOM 0 HA THR A 35 8.578 4.957 -11.129 1.00 0.19 H new ATOM 0 HB THR A 35 10.732 6.211 -10.813 1.00 0.19 H new ATOM 0 HG1 THR A 35 11.950 3.627 -11.309 1.00 0.22 H new ATOM 0 HG21 THR A 35 11.744 4.852 -9.059 1.00 0.15 H new ATOM 0 HG22 THR A 35 9.971 4.727 -8.965 1.00 0.15 H new ATOM 0 HG23 THR A 35 10.920 3.402 -9.680 1.00 0.15 H new ATOM 566 N VAL A 36 10.429 4.789 -13.856 1.00 0.24 N ATOM 567 CA VAL A 36 10.507 5.310 -15.261 1.00 0.26 C ATOM 568 C VAL A 36 9.449 4.631 -16.135 1.00 0.23 C ATOM 569 O VAL A 36 8.429 5.202 -16.479 1.00 0.22 O ATOM 570 CB VAL A 36 11.919 5.005 -15.925 1.00 0.22 C ATOM 571 CG1 VAL A 36 11.976 5.694 -17.319 1.00 0.21 C ATOM 572 CG2 VAL A 36 13.104 5.414 -15.104 1.00 0.29 C ATOM 0 H VAL A 36 11.151 4.111 -13.612 1.00 0.24 H new ATOM 0 HA VAL A 36 10.348 6.387 -15.204 1.00 0.26 H new ATOM 0 HB VAL A 36 11.992 3.921 -16.008 1.00 0.22 H new ATOM 0 HG11 VAL A 36 12.940 5.492 -17.785 1.00 0.21 H new ATOM 0 HG12 VAL A 36 11.178 5.303 -17.951 1.00 0.21 H new ATOM 0 HG13 VAL A 36 11.849 6.770 -17.199 1.00 0.21 H new ATOM 0 HG21 VAL A 36 14.021 5.166 -15.639 1.00 0.29 H new ATOM 0 HG22 VAL A 36 13.069 6.488 -14.924 1.00 0.29 H new ATOM 0 HG23 VAL A 36 13.086 4.886 -14.151 1.00 0.29 H new ATOM 582 N GLY A 37 9.765 3.396 -16.386 1.00 0.24 N ATOM 583 CA GLY A 37 8.985 2.430 -17.224 1.00 0.23 C ATOM 584 C GLY A 37 9.945 2.002 -18.349 1.00 0.22 C ATOM 585 O GLY A 37 10.647 1.015 -18.215 1.00 0.11 O ATOM 0 H GLY A 37 10.614 2.977 -16.008 1.00 0.24 H new ATOM 0 HA2 GLY A 37 8.661 1.572 -16.636 1.00 0.23 H new ATOM 0 HA3 GLY A 37 8.087 2.896 -17.629 1.00 0.23 H new ATOM 589 N ASP A 38 9.947 2.784 -19.393 1.00 0.42 N ATOM 590 CA ASP A 38 10.803 2.539 -20.593 1.00 0.46 C ATOM 591 C ASP A 38 12.243 3.126 -20.583 1.00 0.44 C ATOM 592 O ASP A 38 12.489 4.285 -20.301 1.00 0.66 O ATOM 593 CB ASP A 38 10.046 3.107 -21.799 1.00 0.57 C ATOM 594 CG ASP A 38 8.721 2.437 -22.079 1.00 0.72 C ATOM 595 OD1 ASP A 38 8.778 1.441 -22.777 1.00 0.65 O ATOM 596 OD2 ASP A 38 7.762 2.986 -21.574 1.00 1.85 O ATOM 0 H ASP A 38 9.366 3.619 -19.467 1.00 0.42 H new ATOM 0 HA ASP A 38 10.969 1.462 -20.620 1.00 0.46 H new ATOM 0 HB2 ASP A 38 9.874 4.171 -21.636 1.00 0.57 H new ATOM 0 HB3 ASP A 38 10.678 3.019 -22.683 1.00 0.57 H new ATOM 601 N ILE A 39 13.184 2.290 -20.916 1.00 0.37 N ATOM 602 CA ILE A 39 14.587 2.772 -20.941 1.00 0.39 C ATOM 603 C ILE A 39 14.861 3.532 -22.258 1.00 0.42 C ATOM 604 O ILE A 39 14.727 3.017 -23.356 1.00 0.51 O ATOM 605 CB ILE A 39 15.465 1.529 -20.754 1.00 0.39 C ATOM 606 CG1 ILE A 39 16.934 1.954 -20.635 1.00 0.38 C ATOM 607 CG2 ILE A 39 15.357 0.617 -21.954 1.00 0.45 C ATOM 608 CD1 ILE A 39 17.730 0.738 -20.182 1.00 0.38 C ATOM 0 H ILE A 39 13.045 1.311 -21.168 1.00 0.37 H new ATOM 0 HA ILE A 39 14.804 3.487 -20.148 1.00 0.39 H new ATOM 0 HB ILE A 39 15.129 1.010 -19.856 1.00 0.39 H new ATOM 0 HG12 ILE A 39 17.305 2.320 -21.592 1.00 0.38 H new ATOM 0 HG13 ILE A 39 17.040 2.769 -19.919 1.00 0.38 H new ATOM 0 HG21 ILE A 39 15.987 -0.259 -21.803 1.00 0.45 H new ATOM 0 HG22 ILE A 39 14.321 0.302 -22.080 1.00 0.45 H new ATOM 0 HG23 ILE A 39 15.685 1.150 -22.847 1.00 0.45 H new ATOM 0 HD11 ILE A 39 18.782 1.007 -20.087 1.00 0.38 H new ATOM 0 HD12 ILE A 39 17.354 0.396 -19.218 1.00 0.38 H new ATOM 0 HD13 ILE A 39 17.624 -0.060 -20.916 1.00 0.38 H new ATOM 620 N ASN A 40 15.218 4.767 -22.028 1.00 0.39 N ATOM 621 CA ASN A 40 15.557 5.772 -23.081 1.00 0.46 C ATOM 622 C ASN A 40 16.902 6.436 -22.667 1.00 0.40 C ATOM 623 O ASN A 40 17.158 7.602 -22.879 1.00 0.41 O ATOM 624 CB ASN A 40 14.348 6.751 -23.118 1.00 0.49 C ATOM 625 CG ASN A 40 14.180 7.508 -21.796 1.00 0.61 C ATOM 626 OD1 ASN A 40 14.637 8.613 -21.616 1.00 1.11 O ATOM 627 ND2 ASN A 40 13.539 6.991 -20.803 1.00 0.70 N ATOM 0 H ASN A 40 15.293 5.144 -21.083 1.00 0.39 H new ATOM 0 HA ASN A 40 15.704 5.367 -24.082 1.00 0.46 H new ATOM 0 HB2 ASN A 40 14.485 7.465 -23.930 1.00 0.49 H new ATOM 0 HB3 ASN A 40 13.437 6.193 -23.335 1.00 0.49 H new ATOM 0 HD21 ASN A 40 13.443 7.512 -19.931 1.00 0.70 H new ATOM 0 HD22 ASN A 40 13.129 6.061 -20.889 1.00 0.70 H new ATOM 634 N THR A 41 17.724 5.610 -22.085 1.00 0.37 N ATOM 635 CA THR A 41 19.085 6.015 -21.585 1.00 0.34 C ATOM 636 C THR A 41 20.192 5.369 -22.440 1.00 0.38 C ATOM 637 O THR A 41 19.895 4.670 -23.386 1.00 0.46 O ATOM 638 CB THR A 41 19.197 5.571 -20.100 1.00 0.37 C ATOM 639 OG1 THR A 41 18.951 4.177 -20.117 1.00 0.28 O ATOM 640 CG2 THR A 41 17.987 6.000 -19.262 1.00 0.41 C ATOM 0 H THR A 41 17.506 4.627 -21.925 1.00 0.37 H new ATOM 0 HA THR A 41 19.211 7.095 -21.661 1.00 0.34 H new ATOM 0 HB THR A 41 20.142 5.954 -19.715 1.00 0.37 H new ATOM 0 HG1 THR A 41 19.773 3.697 -19.883 1.00 0.28 H new ATOM 0 HG21 THR A 41 18.119 5.664 -18.234 1.00 0.41 H new ATOM 0 HG22 THR A 41 17.899 7.086 -19.280 1.00 0.41 H new ATOM 0 HG23 THR A 41 17.082 5.556 -19.676 1.00 0.41 H new ATOM 798 N GLY A 51 27.133 0.019 -15.769 1.00 0.59 N ATOM 799 CA GLY A 51 26.288 0.776 -16.698 1.00 0.58 C ATOM 800 C GLY A 51 25.489 -0.158 -17.561 1.00 0.62 C ATOM 801 O GLY A 51 24.288 -0.017 -17.632 1.00 0.64 O ATOM 0 HA2 GLY A 51 25.617 1.428 -16.139 1.00 0.58 H new ATOM 0 HA3 GLY A 51 26.909 1.417 -17.324 1.00 0.58 H new ATOM 805 N LYS A 52 26.144 -1.084 -18.197 1.00 0.62 N ATOM 806 CA LYS A 52 25.336 -1.998 -19.023 1.00 0.61 C ATOM 807 C LYS A 52 24.386 -2.723 -18.095 1.00 0.42 C ATOM 808 O LYS A 52 23.214 -2.510 -18.254 1.00 0.29 O ATOM 809 CB LYS A 52 26.254 -2.999 -19.753 1.00 0.79 C ATOM 810 CG LYS A 52 26.316 -2.514 -21.208 1.00 1.01 C ATOM 811 CD LYS A 52 27.609 -1.767 -21.399 1.00 0.97 C ATOM 812 CE LYS A 52 28.607 -2.786 -21.866 1.00 0.82 C ATOM 813 NZ LYS A 52 29.846 -2.032 -22.090 1.00 0.87 N ATOM 0 H LYS A 52 27.152 -1.240 -18.182 1.00 0.62 H new ATOM 0 HA LYS A 52 24.778 -1.448 -19.781 1.00 0.61 H new ATOM 0 HB2 LYS A 52 27.247 -3.020 -19.304 1.00 0.79 H new ATOM 0 HB3 LYS A 52 25.856 -4.012 -19.694 1.00 0.79 H new ATOM 0 HG2 LYS A 52 26.261 -3.360 -21.893 1.00 1.01 H new ATOM 0 HG3 LYS A 52 25.467 -1.868 -21.430 1.00 1.01 H new ATOM 0 HD2 LYS A 52 27.494 -0.968 -22.132 1.00 0.97 H new ATOM 0 HD3 LYS A 52 27.932 -1.301 -20.468 1.00 0.97 H new ATOM 0 HE2 LYS A 52 28.751 -3.568 -21.120 1.00 0.82 H new ATOM 0 HE3 LYS A 52 28.272 -3.275 -22.781 1.00 0.82 H new ATOM 0 HZ1 LYS A 52 30.591 -2.679 -22.419 1.00 0.87 H new ATOM 0 HZ2 LYS A 52 29.681 -1.299 -22.810 1.00 0.87 H new ATOM 0 HZ3 LYS A 52 30.145 -1.583 -21.201 1.00 0.87 H new ATOM 827 N ALA A 53 24.858 -3.514 -17.170 1.00 0.42 N ATOM 828 CA ALA A 53 23.973 -4.252 -16.226 1.00 0.30 C ATOM 829 C ALA A 53 22.689 -3.523 -15.958 1.00 0.15 C ATOM 830 O ALA A 53 21.648 -4.041 -16.316 1.00 0.19 O ATOM 831 CB ALA A 53 24.785 -4.493 -14.939 1.00 0.39 C ATOM 0 H ALA A 53 25.853 -3.684 -17.026 1.00 0.42 H new ATOM 0 HA ALA A 53 23.667 -5.202 -16.664 1.00 0.30 H new ATOM 0 HB1 ALA A 53 24.172 -5.033 -14.218 1.00 0.39 H new ATOM 0 HB2 ALA A 53 25.672 -5.081 -15.173 1.00 0.39 H new ATOM 0 HB3 ALA A 53 25.086 -3.535 -14.514 1.00 0.39 H new ATOM 837 N LYS A 54 22.782 -2.364 -15.364 1.00 0.18 N ATOM 838 CA LYS A 54 21.489 -1.681 -15.136 1.00 0.13 C ATOM 839 C LYS A 54 20.749 -1.505 -16.479 1.00 0.20 C ATOM 840 O LYS A 54 19.632 -1.979 -16.616 1.00 0.22 O ATOM 841 CB LYS A 54 21.766 -0.323 -14.458 1.00 0.18 C ATOM 842 CG LYS A 54 22.909 0.477 -15.060 1.00 0.50 C ATOM 843 CD LYS A 54 23.660 1.079 -13.911 1.00 0.57 C ATOM 844 CE LYS A 54 22.750 2.106 -13.110 1.00 0.94 C ATOM 845 NZ LYS A 54 22.607 3.427 -13.818 1.00 1.17 N ATOM 0 H LYS A 54 23.630 -1.893 -15.049 1.00 0.18 H new ATOM 0 HA LYS A 54 20.849 -2.275 -14.484 1.00 0.13 H new ATOM 0 HB2 LYS A 54 20.859 0.279 -14.502 1.00 0.18 H new ATOM 0 HB3 LYS A 54 21.981 -0.498 -13.404 1.00 0.18 H new ATOM 0 HG2 LYS A 54 23.559 -0.164 -15.655 1.00 0.50 H new ATOM 0 HG3 LYS A 54 22.531 1.253 -15.725 1.00 0.50 H new ATOM 0 HD2 LYS A 54 24.000 0.289 -13.241 1.00 0.57 H new ATOM 0 HD3 LYS A 54 24.550 1.588 -14.281 1.00 0.57 H new ATOM 0 HE2 LYS A 54 21.762 1.670 -12.959 1.00 0.94 H new ATOM 0 HE3 LYS A 54 23.179 2.272 -12.122 1.00 0.94 H new ATOM 0 HZ1 LYS A 54 22.005 4.060 -13.254 1.00 1.17 H new ATOM 0 HZ2 LYS A 54 23.545 3.859 -13.939 1.00 1.17 H new ATOM 0 HZ3 LYS A 54 22.172 3.276 -14.751 1.00 1.17 H new ATOM 859 N TRP A 55 21.394 -0.870 -17.435 1.00 0.25 N ATOM 860 CA TRP A 55 20.736 -0.649 -18.750 1.00 0.26 C ATOM 861 C TRP A 55 20.059 -1.924 -19.243 1.00 0.15 C ATOM 862 O TRP A 55 18.861 -2.008 -19.372 1.00 0.16 O ATOM 863 CB TRP A 55 21.825 -0.189 -19.696 1.00 0.32 C ATOM 864 CG TRP A 55 21.202 0.775 -20.663 1.00 0.32 C ATOM 865 CD1 TRP A 55 20.907 2.050 -20.337 1.00 0.38 C ATOM 866 CD2 TRP A 55 20.872 0.538 -21.938 1.00 0.33 C ATOM 867 NE1 TRP A 55 20.408 2.512 -21.461 1.00 0.42 N ATOM 868 CE2 TRP A 55 20.349 1.681 -22.489 1.00 0.40 C ATOM 869 CE3 TRP A 55 20.995 -0.619 -22.675 1.00 0.31 C ATOM 870 CZ2 TRP A 55 19.955 1.676 -23.804 1.00 0.45 C ATOM 871 CZ3 TRP A 55 20.602 -0.626 -23.996 1.00 0.36 C ATOM 872 CH2 TRP A 55 20.083 0.527 -24.560 1.00 0.44 C ATOM 0 H TRP A 55 22.341 -0.501 -17.354 1.00 0.25 H new ATOM 0 HA TRP A 55 19.947 0.099 -18.680 1.00 0.26 H new ATOM 0 HB2 TRP A 55 22.635 0.289 -19.145 1.00 0.32 H new ATOM 0 HB3 TRP A 55 22.257 -1.038 -20.225 1.00 0.32 H new ATOM 0 HD1 TRP A 55 21.045 2.560 -19.395 1.00 0.38 H new ATOM 0 HE1 TRP A 55 20.079 3.474 -21.538 1.00 0.42 H new ATOM 0 HE3 TRP A 55 21.396 -1.513 -22.222 1.00 0.31 H new ATOM 0 HZ2 TRP A 55 19.545 2.571 -24.248 1.00 0.45 H new ATOM 0 HZ3 TRP A 55 20.698 -1.525 -24.587 1.00 0.36 H new ATOM 0 HH2 TRP A 55 19.777 0.528 -25.596 1.00 0.44 H new ATOM 883 N ASP A 56 20.911 -2.862 -19.494 1.00 0.12 N ATOM 884 CA ASP A 56 20.601 -4.214 -19.979 1.00 0.09 C ATOM 885 C ASP A 56 19.430 -4.819 -19.197 1.00 0.05 C ATOM 886 O ASP A 56 18.366 -5.045 -19.743 1.00 0.10 O ATOM 887 CB ASP A 56 21.995 -4.906 -19.833 1.00 0.15 C ATOM 888 CG ASP A 56 22.820 -4.613 -21.059 1.00 0.30 C ATOM 889 OD1 ASP A 56 22.436 -5.105 -22.105 1.00 0.48 O ATOM 890 OD2 ASP A 56 23.796 -3.907 -20.914 1.00 1.31 O ATOM 0 H ASP A 56 21.913 -2.720 -19.365 1.00 0.12 H new ATOM 0 HA ASP A 56 20.231 -4.304 -21.000 1.00 0.09 H new ATOM 0 HB2 ASP A 56 22.504 -4.542 -18.941 1.00 0.15 H new ATOM 0 HB3 ASP A 56 21.870 -5.982 -19.712 1.00 0.15 H new ATOM 895 N ALA A 57 19.663 -5.050 -17.934 1.00 0.13 N ATOM 896 CA ALA A 57 18.640 -5.633 -17.039 1.00 0.11 C ATOM 897 C ALA A 57 17.304 -4.870 -17.112 1.00 0.09 C ATOM 898 O ALA A 57 16.240 -5.438 -17.244 1.00 0.04 O ATOM 899 CB ALA A 57 19.278 -5.613 -15.652 1.00 0.19 C ATOM 0 H ALA A 57 20.552 -4.849 -17.477 1.00 0.13 H new ATOM 0 HA ALA A 57 18.368 -6.648 -17.327 1.00 0.11 H new ATOM 0 HB1 ALA A 57 18.581 -6.031 -14.925 1.00 0.19 H new ATOM 0 HB2 ALA A 57 20.191 -6.208 -15.663 1.00 0.19 H new ATOM 0 HB3 ALA A 57 19.517 -4.586 -15.376 1.00 0.19 H new ATOM 905 N TRP A 58 17.367 -3.570 -17.041 1.00 0.19 N ATOM 906 CA TRP A 58 16.097 -2.756 -17.105 1.00 0.22 C ATOM 907 C TRP A 58 15.471 -2.847 -18.494 1.00 0.23 C ATOM 908 O TRP A 58 14.290 -3.102 -18.621 1.00 0.26 O ATOM 909 CB TRP A 58 16.402 -1.283 -16.764 1.00 0.21 C ATOM 910 CG TRP A 58 15.184 -0.379 -17.029 1.00 0.17 C ATOM 911 CD1 TRP A 58 13.875 -0.774 -17.091 1.00 0.16 C ATOM 912 CD2 TRP A 58 15.259 0.947 -17.264 1.00 0.14 C ATOM 913 NE1 TRP A 58 13.257 0.366 -17.370 1.00 0.14 N ATOM 914 CE2 TRP A 58 14.001 1.441 -17.487 1.00 0.13 C ATOM 915 CE3 TRP A 58 16.331 1.814 -17.294 1.00 0.14 C ATOM 916 CZ2 TRP A 58 13.806 2.777 -17.743 1.00 0.15 C ATOM 917 CZ3 TRP A 58 16.141 3.149 -17.544 1.00 0.15 C ATOM 918 CH2 TRP A 58 14.889 3.630 -17.768 1.00 0.17 C ATOM 0 H TRP A 58 18.227 -3.031 -16.942 1.00 0.19 H new ATOM 0 HA TRP A 58 15.390 -3.156 -16.378 1.00 0.22 H new ATOM 0 HB2 TRP A 58 16.694 -1.204 -15.717 1.00 0.21 H new ATOM 0 HB3 TRP A 58 17.248 -0.939 -17.358 1.00 0.21 H new ATOM 0 HD1 TRP A 58 13.454 -1.759 -16.949 1.00 0.16 H new ATOM 0 HE1 TRP A 58 12.245 0.406 -17.489 1.00 0.14 H new ATOM 0 HE3 TRP A 58 17.328 1.439 -17.119 1.00 0.14 H new ATOM 0 HZ2 TRP A 58 12.811 3.156 -17.923 1.00 0.15 H new ATOM 0 HZ3 TRP A 58 16.987 3.820 -17.563 1.00 0.15 H new ATOM 0 HH2 TRP A 58 14.743 4.682 -17.966 1.00 0.17 H new ATOM 929 N ASN A 59 16.236 -2.637 -19.520 1.00 0.17 N ATOM 930 CA ASN A 59 15.723 -2.711 -20.911 1.00 0.18 C ATOM 931 C ASN A 59 14.960 -4.037 -21.113 1.00 0.27 C ATOM 932 O ASN A 59 14.125 -4.138 -21.990 1.00 0.38 O ATOM 933 CB ASN A 59 16.947 -2.609 -21.810 1.00 0.17 C ATOM 934 CG ASN A 59 16.593 -2.345 -23.267 1.00 0.43 C ATOM 935 OD1 ASN A 59 15.879 -1.450 -23.687 1.00 0.81 O ATOM 936 ND2 ASN A 59 17.121 -3.164 -24.090 1.00 0.24 N ATOM 0 H ASN A 59 17.228 -2.410 -19.451 1.00 0.17 H new ATOM 0 HA ASN A 59 15.018 -1.912 -21.143 1.00 0.18 H new ATOM 0 HB2 ASN A 59 17.592 -1.808 -21.447 1.00 0.17 H new ATOM 0 HB3 ASN A 59 17.519 -3.534 -21.742 1.00 0.17 H new ATOM 0 HD21 ASN A 59 16.945 -3.067 -25.090 1.00 0.24 H new ATOM 0 HD22 ASN A 59 17.720 -3.916 -23.748 1.00 0.24 H new ATOM 943 N GLU A 60 15.273 -4.997 -20.279 1.00 0.29 N ATOM 944 CA GLU A 60 14.606 -6.332 -20.390 1.00 0.32 C ATOM 945 C GLU A 60 13.101 -6.229 -20.035 1.00 0.23 C ATOM 946 O GLU A 60 12.256 -6.948 -20.530 1.00 0.32 O ATOM 947 CB GLU A 60 15.357 -7.298 -19.432 1.00 0.40 C ATOM 948 CG GLU A 60 14.974 -8.769 -19.757 1.00 0.35 C ATOM 949 CD GLU A 60 15.516 -9.777 -18.731 1.00 1.13 C ATOM 950 OE1 GLU A 60 16.716 -9.749 -18.502 1.00 1.27 O ATOM 951 OE2 GLU A 60 14.688 -10.527 -18.240 1.00 1.94 O ATOM 0 H GLU A 60 15.959 -4.915 -19.528 1.00 0.29 H new ATOM 0 HA GLU A 60 14.653 -6.707 -21.413 1.00 0.32 H new ATOM 0 HB2 GLU A 60 16.434 -7.162 -19.535 1.00 0.40 H new ATOM 0 HB3 GLU A 60 15.104 -7.067 -18.397 1.00 0.40 H new ATOM 0 HG2 GLU A 60 13.888 -8.854 -19.801 1.00 0.35 H new ATOM 0 HG3 GLU A 60 15.354 -9.027 -20.746 1.00 0.35 H new ATOM 958 N LEU A 61 12.857 -5.297 -19.160 1.00 0.13 N ATOM 959 CA LEU A 61 11.522 -4.922 -18.586 1.00 0.17 C ATOM 960 C LEU A 61 10.783 -3.760 -19.237 1.00 0.29 C ATOM 961 O LEU A 61 9.573 -3.706 -19.202 1.00 0.31 O ATOM 962 CB LEU A 61 11.679 -4.514 -17.152 1.00 0.09 C ATOM 963 CG LEU A 61 12.731 -5.287 -16.421 1.00 0.06 C ATOM 964 CD1 LEU A 61 12.757 -4.685 -15.050 1.00 0.11 C ATOM 965 CD2 LEU A 61 12.432 -6.752 -16.453 1.00 0.08 C ATOM 0 H LEU A 61 13.608 -4.720 -18.781 1.00 0.13 H new ATOM 0 HA LEU A 61 10.936 -5.826 -18.755 1.00 0.17 H new ATOM 0 HB2 LEU A 61 11.924 -3.453 -17.110 1.00 0.09 H new ATOM 0 HB3 LEU A 61 10.725 -4.641 -16.640 1.00 0.09 H new ATOM 0 HG LEU A 61 13.720 -5.219 -16.874 1.00 0.06 H new ATOM 0 HD11 LEU A 61 13.505 -5.195 -14.443 1.00 0.11 H new ATOM 0 HD12 LEU A 61 13.008 -3.627 -15.122 1.00 0.11 H new ATOM 0 HD13 LEU A 61 11.777 -4.795 -14.586 1.00 0.11 H new ATOM 0 HD21 LEU A 61 13.210 -7.294 -15.915 1.00 0.08 H new ATOM 0 HD22 LEU A 61 11.468 -6.937 -15.980 1.00 0.08 H new ATOM 0 HD23 LEU A 61 12.400 -7.094 -17.487 1.00 0.08 H new ATOM 977 N LYS A 62 11.549 -2.869 -19.788 1.00 0.38 N ATOM 978 CA LYS A 62 11.024 -1.638 -20.469 1.00 0.52 C ATOM 979 C LYS A 62 9.506 -1.602 -20.697 1.00 0.78 C ATOM 980 O LYS A 62 8.848 -0.708 -20.211 1.00 1.68 O ATOM 981 CB LYS A 62 11.846 -1.504 -21.811 1.00 0.44 C ATOM 982 CG LYS A 62 11.146 -0.449 -22.717 1.00 0.37 C ATOM 983 CD LYS A 62 12.114 0.496 -23.522 1.00 1.38 C ATOM 984 CE LYS A 62 13.042 -0.243 -24.485 1.00 1.57 C ATOM 985 NZ LYS A 62 14.274 0.599 -24.739 1.00 2.83 N ATOM 0 H LYS A 62 12.566 -2.940 -19.799 1.00 0.38 H new ATOM 0 HA LYS A 62 11.167 -0.780 -19.812 1.00 0.52 H new ATOM 0 HB2 LYS A 62 12.871 -1.200 -21.598 1.00 0.44 H new ATOM 0 HB3 LYS A 62 11.898 -2.466 -22.321 1.00 0.44 H new ATOM 0 HG2 LYS A 62 10.504 -0.972 -23.425 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.498 0.168 -22.094 1.00 0.37 H new ATOM 0 HD2 LYS A 62 11.519 1.214 -24.086 1.00 1.38 H new ATOM 0 HD3 LYS A 62 12.718 1.067 -22.817 1.00 1.38 H new ATOM 0 HE2 LYS A 62 13.327 -1.208 -24.065 1.00 1.57 H new ATOM 0 HE3 LYS A 62 12.525 -0.444 -25.423 1.00 1.57 H new ATOM 0 HZ1 LYS A 62 14.316 0.858 -25.745 1.00 2.83 H new ATOM 0 HZ2 LYS A 62 14.230 1.463 -24.161 1.00 2.83 H new ATOM 0 HZ3 LYS A 62 15.124 0.056 -24.485 1.00 2.83 H new ATOM 999 N GLY A 63 8.990 -2.575 -21.378 1.00 0.31 N ATOM 1000 CA GLY A 63 7.507 -2.633 -21.665 1.00 0.31 C ATOM 1001 C GLY A 63 6.666 -3.449 -20.660 1.00 0.22 C ATOM 1002 O GLY A 63 5.687 -4.075 -21.017 1.00 0.32 O ATOM 0 H GLY A 63 9.527 -3.353 -21.761 1.00 0.31 H new ATOM 0 HA2 GLY A 63 7.120 -1.614 -21.693 1.00 0.31 H new ATOM 0 HA3 GLY A 63 7.364 -3.056 -22.659 1.00 0.31 H new ATOM 1006 N THR A 64 7.069 -3.411 -19.422 1.00 0.12 N ATOM 1007 CA THR A 64 6.335 -4.156 -18.317 1.00 0.18 C ATOM 1008 C THR A 64 5.410 -3.153 -17.633 1.00 0.21 C ATOM 1009 O THR A 64 5.381 -1.986 -17.987 1.00 0.29 O ATOM 1010 CB THR A 64 7.363 -4.742 -17.239 1.00 0.24 C ATOM 1011 OG1 THR A 64 7.400 -6.136 -17.478 1.00 0.45 O ATOM 1012 CG2 THR A 64 6.930 -4.776 -15.737 1.00 0.05 C ATOM 0 H THR A 64 7.888 -2.891 -19.106 1.00 0.12 H new ATOM 0 HA THR A 64 5.779 -4.993 -18.741 1.00 0.18 H new ATOM 0 HB THR A 64 8.243 -4.110 -17.356 1.00 0.24 H new ATOM 0 HG1 THR A 64 8.018 -6.560 -16.847 1.00 0.45 H new ATOM 0 HG21 THR A 64 7.734 -5.200 -15.136 1.00 0.05 H new ATOM 0 HG22 THR A 64 6.718 -3.763 -15.396 1.00 0.05 H new ATOM 0 HG23 THR A 64 6.035 -5.389 -15.630 1.00 0.05 H new ATOM 1020 N SER A 65 4.666 -3.636 -16.677 1.00 0.22 N ATOM 1021 CA SER A 65 3.739 -2.754 -15.924 1.00 0.24 C ATOM 1022 C SER A 65 4.456 -2.353 -14.624 1.00 0.19 C ATOM 1023 O SER A 65 4.976 -3.135 -13.848 1.00 0.20 O ATOM 1024 CB SER A 65 2.425 -3.470 -15.550 1.00 0.32 C ATOM 1025 OG SER A 65 2.536 -4.840 -15.945 1.00 0.81 O ATOM 0 H SER A 65 4.663 -4.613 -16.385 1.00 0.22 H new ATOM 0 HA SER A 65 3.483 -1.898 -16.548 1.00 0.24 H new ATOM 0 HB2 SER A 65 2.244 -3.397 -14.478 1.00 0.32 H new ATOM 0 HB3 SER A 65 1.579 -2.998 -16.049 1.00 0.32 H new ATOM 0 HG SER A 65 2.478 -5.414 -15.153 1.00 0.81 H new ATOM 1031 N LYS A 66 4.441 -1.076 -14.421 1.00 0.18 N ATOM 1032 CA LYS A 66 5.087 -0.457 -13.214 1.00 0.20 C ATOM 1033 C LYS A 66 4.904 -1.156 -11.850 1.00 0.21 C ATOM 1034 O LYS A 66 5.765 -1.208 -10.994 1.00 0.23 O ATOM 1035 CB LYS A 66 4.579 0.987 -13.149 1.00 0.14 C ATOM 1036 CG LYS A 66 5.353 1.753 -14.226 1.00 0.27 C ATOM 1037 CD LYS A 66 5.013 3.256 -14.253 1.00 0.09 C ATOM 1038 CE LYS A 66 6.058 3.866 -15.198 1.00 1.04 C ATOM 1039 NZ LYS A 66 7.336 3.893 -14.433 1.00 1.30 N ATOM 0 H LYS A 66 3.999 -0.406 -15.051 1.00 0.18 H new ATOM 0 HA LYS A 66 6.162 -0.552 -13.364 1.00 0.20 H new ATOM 0 HB2 LYS A 66 3.506 1.032 -13.333 1.00 0.14 H new ATOM 0 HB3 LYS A 66 4.752 1.418 -12.163 1.00 0.14 H new ATOM 0 HG2 LYS A 66 6.422 1.630 -14.054 1.00 0.27 H new ATOM 0 HG3 LYS A 66 5.135 1.319 -15.202 1.00 0.27 H new ATOM 0 HD2 LYS A 66 4.000 3.428 -14.617 1.00 0.09 H new ATOM 0 HD3 LYS A 66 5.073 3.695 -13.257 1.00 0.09 H new ATOM 0 HE2 LYS A 66 6.159 3.270 -16.105 1.00 1.04 H new ATOM 0 HE3 LYS A 66 5.766 4.870 -15.507 1.00 1.04 H new ATOM 0 HZ1 LYS A 66 7.856 4.765 -14.656 1.00 1.30 H new ATOM 0 HZ2 LYS A 66 7.131 3.863 -13.414 1.00 1.30 H new ATOM 0 HZ3 LYS A 66 7.914 3.069 -14.694 1.00 1.30 H new ATOM 1053 N GLU A 67 3.741 -1.677 -11.714 1.00 0.25 N ATOM 1054 CA GLU A 67 3.321 -2.400 -10.484 1.00 0.24 C ATOM 1055 C GLU A 67 4.016 -3.757 -10.303 1.00 0.21 C ATOM 1056 O GLU A 67 4.546 -4.018 -9.237 1.00 0.15 O ATOM 1057 CB GLU A 67 1.823 -2.430 -10.647 1.00 0.28 C ATOM 1058 CG GLU A 67 1.304 -1.010 -10.170 1.00 0.31 C ATOM 1059 CD GLU A 67 1.097 -1.028 -8.668 1.00 1.81 C ATOM 1060 OE1 GLU A 67 2.086 -0.931 -7.957 1.00 2.87 O ATOM 1061 OE2 GLU A 67 -0.051 -1.135 -8.289 1.00 2.44 O ATOM 0 H GLU A 67 3.020 -1.635 -12.434 1.00 0.25 H new ATOM 0 HA GLU A 67 3.617 -1.923 -9.550 1.00 0.24 H new ATOM 0 HB2 GLU A 67 1.547 -2.618 -11.685 1.00 0.28 H new ATOM 0 HB3 GLU A 67 1.381 -3.228 -10.050 1.00 0.28 H new ATOM 0 HG2 GLU A 67 2.024 -0.238 -10.440 1.00 0.31 H new ATOM 0 HG3 GLU A 67 0.369 -0.764 -10.674 1.00 0.31 H new ATOM 1068 N ASP A 68 4.008 -4.588 -11.313 1.00 0.26 N ATOM 1069 CA ASP A 68 4.675 -5.922 -11.243 1.00 0.23 C ATOM 1070 C ASP A 68 6.137 -5.621 -10.878 1.00 0.15 C ATOM 1071 O ASP A 68 6.782 -6.243 -10.045 1.00 0.16 O ATOM 1072 CB ASP A 68 4.437 -6.491 -12.628 1.00 0.20 C ATOM 1073 CG ASP A 68 2.969 -6.865 -12.742 1.00 0.26 C ATOM 1074 OD1 ASP A 68 2.612 -7.855 -12.135 1.00 0.75 O ATOM 1075 OD2 ASP A 68 2.320 -6.100 -13.439 1.00 0.90 O ATOM 0 H ASP A 68 3.555 -4.392 -12.206 1.00 0.26 H new ATOM 0 HA ASP A 68 4.322 -6.647 -10.509 1.00 0.23 H new ATOM 0 HB2 ASP A 68 4.703 -5.759 -13.391 1.00 0.20 H new ATOM 0 HB3 ASP A 68 5.066 -7.366 -12.793 1.00 0.20 H new ATOM 1080 N ALA A 69 6.585 -4.614 -11.583 1.00 0.14 N ATOM 1081 CA ALA A 69 7.969 -4.115 -11.402 1.00 0.16 C ATOM 1082 C ALA A 69 8.049 -3.788 -9.912 1.00 0.24 C ATOM 1083 O ALA A 69 9.039 -4.127 -9.307 1.00 0.42 O ATOM 1084 CB ALA A 69 8.173 -2.877 -12.221 1.00 0.26 C ATOM 0 H ALA A 69 6.038 -4.114 -12.284 1.00 0.14 H new ATOM 0 HA ALA A 69 8.728 -4.832 -11.714 1.00 0.16 H new ATOM 0 HB1 ALA A 69 9.192 -2.514 -12.084 1.00 0.26 H new ATOM 0 HB2 ALA A 69 8.007 -3.106 -13.274 1.00 0.26 H new ATOM 0 HB3 ALA A 69 7.469 -2.109 -11.901 1.00 0.26 H new ATOM 1090 N MET A 70 7.061 -3.154 -9.329 1.00 0.24 N ATOM 1091 CA MET A 70 7.175 -2.874 -7.877 1.00 0.16 C ATOM 1092 C MET A 70 7.281 -4.178 -7.091 1.00 0.10 C ATOM 1093 O MET A 70 8.224 -4.320 -6.350 1.00 0.18 O ATOM 1094 CB MET A 70 5.946 -2.142 -7.297 1.00 0.13 C ATOM 1095 CG MET A 70 5.741 -0.763 -7.838 1.00 0.23 C ATOM 1096 SD MET A 70 4.608 0.214 -6.825 1.00 0.41 S ATOM 1097 CE MET A 70 4.645 1.634 -7.933 1.00 0.22 C ATOM 0 H MET A 70 6.208 -2.829 -9.784 1.00 0.24 H new ATOM 0 HA MET A 70 8.061 -2.247 -7.780 1.00 0.16 H new ATOM 0 HB2 MET A 70 5.055 -2.736 -7.500 1.00 0.13 H new ATOM 0 HB3 MET A 70 6.050 -2.083 -6.214 1.00 0.13 H new ATOM 0 HG2 MET A 70 6.702 -0.253 -7.898 1.00 0.23 H new ATOM 0 HG3 MET A 70 5.351 -0.829 -8.854 1.00 0.23 H new ATOM 0 HE1 MET A 70 4.005 2.422 -7.536 1.00 0.22 H new ATOM 0 HE2 MET A 70 5.667 2.004 -8.016 1.00 0.22 H new ATOM 0 HE3 MET A 70 4.285 1.336 -8.918 1.00 0.22 H new ATOM 1107 N LYS A 71 6.333 -5.057 -7.274 1.00 0.03 N ATOM 1108 CA LYS A 71 6.361 -6.361 -6.532 1.00 0.24 C ATOM 1109 C LYS A 71 7.784 -6.884 -6.376 1.00 0.35 C ATOM 1110 O LYS A 71 8.276 -7.003 -5.272 1.00 0.63 O ATOM 1111 CB LYS A 71 5.492 -7.412 -7.283 1.00 0.38 C ATOM 1112 CG LYS A 71 4.106 -7.555 -6.606 1.00 0.93 C ATOM 1113 CD LYS A 71 4.075 -8.567 -5.385 1.00 2.26 C ATOM 1114 CE LYS A 71 4.951 -8.218 -4.151 1.00 3.50 C ATOM 1115 NZ LYS A 71 6.373 -8.595 -4.396 1.00 4.39 N ATOM 0 H LYS A 71 5.540 -4.933 -7.903 1.00 0.03 H new ATOM 0 HA LYS A 71 5.954 -6.191 -5.535 1.00 0.24 H new ATOM 0 HB2 LYS A 71 5.366 -7.111 -8.323 1.00 0.38 H new ATOM 0 HB3 LYS A 71 6.001 -8.376 -7.289 1.00 0.38 H new ATOM 0 HG2 LYS A 71 3.782 -6.574 -6.258 1.00 0.93 H new ATOM 0 HG3 LYS A 71 3.383 -7.883 -7.352 1.00 0.93 H new ATOM 0 HD2 LYS A 71 3.042 -8.661 -5.050 1.00 2.26 H new ATOM 0 HD3 LYS A 71 4.382 -9.547 -5.751 1.00 2.26 H new ATOM 0 HE2 LYS A 71 4.883 -7.151 -3.939 1.00 3.50 H new ATOM 0 HE3 LYS A 71 4.576 -8.742 -3.272 1.00 3.50 H new ATOM 0 HZ1 LYS A 71 6.650 -9.351 -3.738 1.00 4.39 H new ATOM 0 HZ2 LYS A 71 6.479 -8.932 -5.374 1.00 4.39 H new ATOM 0 HZ3 LYS A 71 6.983 -7.766 -4.247 1.00 4.39 H new ATOM 1129 N ALA A 72 8.386 -7.149 -7.498 1.00 0.25 N ATOM 1130 CA ALA A 72 9.780 -7.673 -7.512 1.00 0.45 C ATOM 1131 C ALA A 72 10.731 -6.561 -7.019 1.00 0.40 C ATOM 1132 O ALA A 72 11.540 -6.831 -6.150 1.00 0.40 O ATOM 1133 CB ALA A 72 9.991 -8.113 -8.969 1.00 0.60 C ATOM 0 H ALA A 72 7.967 -7.024 -8.420 1.00 0.25 H new ATOM 0 HA ALA A 72 9.976 -8.515 -6.848 1.00 0.45 H new ATOM 0 HB1 ALA A 72 10.997 -8.517 -9.085 1.00 0.60 H new ATOM 0 HB2 ALA A 72 9.260 -8.879 -9.227 1.00 0.60 H new ATOM 0 HB3 ALA A 72 9.866 -7.255 -9.630 1.00 0.60 H new ATOM 1139 N TYR A 73 10.648 -5.362 -7.537 1.00 0.35 N ATOM 1140 CA TYR A 73 11.561 -4.294 -7.051 1.00 0.31 C ATOM 1141 C TYR A 73 11.678 -4.344 -5.527 1.00 0.26 C ATOM 1142 O TYR A 73 12.716 -4.604 -4.942 1.00 0.23 O ATOM 1143 CB TYR A 73 11.016 -2.932 -7.443 1.00 0.28 C ATOM 1144 CG TYR A 73 11.937 -1.967 -6.730 1.00 0.21 C ATOM 1145 CD1 TYR A 73 13.250 -1.915 -7.119 1.00 1.64 C ATOM 1146 CD2 TYR A 73 11.486 -1.172 -5.697 1.00 1.71 C ATOM 1147 CE1 TYR A 73 14.100 -1.083 -6.483 1.00 1.59 C ATOM 1148 CE2 TYR A 73 12.363 -0.329 -5.071 1.00 1.72 C ATOM 1149 CZ TYR A 73 13.667 -0.301 -5.477 1.00 0.07 C ATOM 1150 OH TYR A 73 14.601 0.496 -4.889 1.00 0.14 O ATOM 0 H TYR A 73 9.994 -5.082 -8.268 1.00 0.35 H new ATOM 0 HA TYR A 73 12.541 -4.453 -7.501 1.00 0.31 H new ATOM 0 HB2 TYR A 73 11.039 -2.786 -8.523 1.00 0.28 H new ATOM 0 HB3 TYR A 73 9.980 -2.807 -7.126 1.00 0.28 H new ATOM 0 HD1 TYR A 73 13.602 -2.536 -7.929 1.00 1.64 H new ATOM 0 HD2 TYR A 73 10.453 -1.215 -5.386 1.00 1.71 H new ATOM 0 HE1 TYR A 73 15.137 -1.044 -6.784 1.00 1.59 H new ATOM 0 HE2 TYR A 73 12.028 0.307 -4.265 1.00 1.72 H new ATOM 0 HH TYR A 73 14.600 1.375 -5.321 1.00 0.14 H new ATOM 1160 N ILE A 74 10.525 -4.075 -4.984 1.00 0.27 N ATOM 1161 CA ILE A 74 10.307 -4.036 -3.533 1.00 0.26 C ATOM 1162 C ILE A 74 10.964 -5.264 -2.929 1.00 0.28 C ATOM 1163 O ILE A 74 11.878 -5.145 -2.155 1.00 0.24 O ATOM 1164 CB ILE A 74 8.818 -4.035 -3.275 1.00 0.28 C ATOM 1165 CG1 ILE A 74 8.137 -2.772 -3.816 1.00 0.23 C ATOM 1166 CG2 ILE A 74 8.731 -3.938 -1.772 1.00 0.30 C ATOM 1167 CD1 ILE A 74 6.627 -3.033 -3.910 1.00 0.35 C ATOM 0 H ILE A 74 9.687 -3.871 -5.529 1.00 0.27 H new ATOM 0 HA ILE A 74 10.740 -3.142 -3.083 1.00 0.26 H new ATOM 0 HB ILE A 74 8.346 -4.902 -3.737 1.00 0.28 H new ATOM 0 HG12 ILE A 74 8.334 -1.925 -3.159 1.00 0.23 H new ATOM 0 HG13 ILE A 74 8.539 -2.516 -4.796 1.00 0.23 H new ATOM 0 HG21 ILE A 74 7.684 -3.929 -1.468 1.00 0.30 H new ATOM 0 HG22 ILE A 74 9.232 -4.795 -1.322 1.00 0.30 H new ATOM 0 HG23 ILE A 74 9.213 -3.019 -1.438 1.00 0.30 H new ATOM 0 HD11 ILE A 74 6.127 -2.143 -4.294 1.00 0.35 H new ATOM 0 HD12 ILE A 74 6.444 -3.871 -4.583 1.00 0.35 H new ATOM 0 HD13 ILE A 74 6.236 -3.270 -2.920 1.00 0.35 H new ATOM 1179 N ASP A 75 10.489 -6.425 -3.289 1.00 0.36 N ATOM 1180 CA ASP A 75 11.058 -7.698 -2.773 1.00 0.39 C ATOM 1181 C ASP A 75 12.583 -7.723 -2.726 1.00 0.30 C ATOM 1182 O ASP A 75 13.231 -8.127 -1.779 1.00 0.24 O ATOM 1183 CB ASP A 75 10.466 -8.744 -3.695 1.00 0.55 C ATOM 1184 CG ASP A 75 8.986 -8.979 -3.462 1.00 0.83 C ATOM 1185 OD1 ASP A 75 8.338 -8.191 -2.796 1.00 1.44 O ATOM 1186 OD2 ASP A 75 8.509 -9.964 -3.995 1.00 1.62 O ATOM 0 H ASP A 75 9.710 -6.545 -3.936 1.00 0.36 H new ATOM 0 HA ASP A 75 10.803 -7.867 -1.727 1.00 0.39 H new ATOM 0 HB2 ASP A 75 10.620 -8.436 -4.729 1.00 0.55 H new ATOM 0 HB3 ASP A 75 11.002 -9.683 -3.559 1.00 0.55 H new ATOM 1191 N LYS A 76 13.124 -7.255 -3.807 1.00 0.32 N ATOM 1192 CA LYS A 76 14.618 -7.227 -3.901 1.00 0.30 C ATOM 1193 C LYS A 76 15.162 -6.198 -2.943 1.00 0.24 C ATOM 1194 O LYS A 76 16.154 -6.440 -2.277 1.00 0.23 O ATOM 1195 CB LYS A 76 14.983 -6.921 -5.311 1.00 0.38 C ATOM 1196 CG LYS A 76 16.410 -7.488 -5.538 1.00 0.49 C ATOM 1197 CD LYS A 76 16.261 -9.015 -5.793 1.00 0.33 C ATOM 1198 CE LYS A 76 17.600 -9.712 -5.875 1.00 0.92 C ATOM 1199 NZ LYS A 76 18.164 -9.725 -4.494 1.00 1.65 N ATOM 0 H LYS A 76 12.619 -6.896 -4.617 1.00 0.32 H new ATOM 0 HA LYS A 76 15.051 -8.189 -3.625 1.00 0.30 H new ATOM 0 HB2 LYS A 76 14.272 -7.375 -6.002 1.00 0.38 H new ATOM 0 HB3 LYS A 76 14.961 -5.846 -5.492 1.00 0.38 H new ATOM 0 HG2 LYS A 76 16.887 -7.000 -6.388 1.00 0.49 H new ATOM 0 HG3 LYS A 76 17.041 -7.303 -4.669 1.00 0.49 H new ATOM 0 HD2 LYS A 76 15.670 -9.460 -4.992 1.00 0.33 H new ATOM 0 HD3 LYS A 76 15.712 -9.175 -6.721 1.00 0.33 H new ATOM 0 HE2 LYS A 76 17.485 -10.727 -6.255 1.00 0.92 H new ATOM 0 HE3 LYS A 76 18.267 -9.189 -6.560 1.00 0.92 H new ATOM 0 HZ1 LYS A 76 19.103 -9.277 -4.498 1.00 1.65 H new ATOM 0 HZ2 LYS A 76 17.532 -9.200 -3.856 1.00 1.65 H new ATOM 0 HZ3 LYS A 76 18.251 -10.707 -4.164 1.00 1.65 H new ATOM 1213 N VAL A 77 14.540 -5.060 -2.884 1.00 0.24 N ATOM 1214 CA VAL A 77 15.058 -4.052 -1.921 1.00 0.18 C ATOM 1215 C VAL A 77 14.950 -4.770 -0.581 1.00 0.16 C ATOM 1216 O VAL A 77 15.904 -4.726 0.174 1.00 0.16 O ATOM 1217 CB VAL A 77 14.184 -2.821 -1.910 1.00 0.15 C ATOM 1218 CG1 VAL A 77 14.688 -1.880 -0.793 1.00 0.16 C ATOM 1219 CG2 VAL A 77 14.341 -2.096 -3.251 1.00 0.16 C ATOM 0 H VAL A 77 13.727 -4.788 -3.436 1.00 0.24 H new ATOM 0 HA VAL A 77 16.066 -3.715 -2.162 1.00 0.18 H new ATOM 0 HB VAL A 77 13.142 -3.097 -1.745 1.00 0.15 H new ATOM 0 HG11 VAL A 77 14.070 -0.983 -0.767 1.00 0.16 H new ATOM 0 HG12 VAL A 77 14.627 -2.391 0.168 1.00 0.16 H new ATOM 0 HG13 VAL A 77 15.723 -1.602 -0.991 1.00 0.16 H new ATOM 0 HG21 VAL A 77 13.715 -1.204 -3.258 1.00 0.16 H new ATOM 0 HG22 VAL A 77 15.383 -1.809 -3.390 1.00 0.16 H new ATOM 0 HG23 VAL A 77 14.037 -2.759 -4.061 1.00 0.16 H new ATOM 1229 N GLU A 78 13.824 -5.408 -0.308 1.00 0.20 N ATOM 1230 CA GLU A 78 13.636 -6.145 0.974 1.00 0.24 C ATOM 1231 C GLU A 78 14.930 -6.939 1.172 1.00 0.23 C ATOM 1232 O GLU A 78 15.621 -6.699 2.141 1.00 0.33 O ATOM 1233 CB GLU A 78 12.384 -7.051 0.838 1.00 0.34 C ATOM 1234 CG GLU A 78 11.224 -6.598 1.799 1.00 0.52 C ATOM 1235 CD GLU A 78 11.697 -6.400 3.218 1.00 0.64 C ATOM 1236 OE1 GLU A 78 11.786 -7.404 3.901 1.00 1.83 O ATOM 1237 OE2 GLU A 78 11.949 -5.252 3.543 1.00 0.47 O ATOM 0 H GLU A 78 13.022 -5.443 -0.937 1.00 0.20 H new ATOM 0 HA GLU A 78 13.463 -5.503 1.838 1.00 0.24 H new ATOM 0 HB2 GLU A 78 12.031 -7.029 -0.193 1.00 0.34 H new ATOM 0 HB3 GLU A 78 12.657 -8.083 1.060 1.00 0.34 H new ATOM 0 HG2 GLU A 78 10.792 -5.668 1.430 1.00 0.52 H new ATOM 0 HG3 GLU A 78 10.431 -7.345 1.784 1.00 0.52 H new ATOM 1244 N GLU A 79 15.243 -7.856 0.295 1.00 0.17 N ATOM 1245 CA GLU A 79 16.522 -8.634 0.445 1.00 0.15 C ATOM 1246 C GLU A 79 17.714 -7.756 0.956 1.00 0.06 C ATOM 1247 O GLU A 79 18.325 -7.939 2.002 1.00 0.10 O ATOM 1248 CB GLU A 79 16.897 -9.209 -0.919 1.00 0.31 C ATOM 1249 CG GLU A 79 16.177 -10.523 -1.266 1.00 0.53 C ATOM 1250 CD GLU A 79 16.848 -11.111 -2.507 1.00 1.21 C ATOM 1251 OE1 GLU A 79 18.020 -11.436 -2.423 1.00 1.77 O ATOM 1252 OE2 GLU A 79 16.203 -11.209 -3.531 1.00 1.77 O ATOM 0 H GLU A 79 14.676 -8.104 -0.516 1.00 0.17 H new ATOM 0 HA GLU A 79 16.348 -9.414 1.186 1.00 0.15 H new ATOM 0 HB2 GLU A 79 16.671 -8.470 -1.687 1.00 0.31 H new ATOM 0 HB3 GLU A 79 17.973 -9.379 -0.946 1.00 0.31 H new ATOM 0 HG2 GLU A 79 16.236 -11.223 -0.432 1.00 0.53 H new ATOM 0 HG3 GLU A 79 15.119 -10.340 -1.454 1.00 0.53 H new ATOM 1259 N LEU A 80 18.021 -6.779 0.132 1.00 0.09 N ATOM 1260 CA LEU A 80 19.149 -5.842 0.458 1.00 0.16 C ATOM 1261 C LEU A 80 19.178 -5.357 1.872 1.00 0.16 C ATOM 1262 O LEU A 80 20.183 -5.389 2.562 1.00 0.22 O ATOM 1263 CB LEU A 80 19.058 -4.667 -0.472 1.00 0.18 C ATOM 1264 CG LEU A 80 19.393 -5.140 -1.869 1.00 0.17 C ATOM 1265 CD1 LEU A 80 19.363 -3.953 -2.777 1.00 0.37 C ATOM 1266 CD2 LEU A 80 20.796 -5.732 -1.837 1.00 0.18 C ATOM 0 H LEU A 80 17.542 -6.590 -0.748 1.00 0.09 H new ATOM 0 HA LEU A 80 20.073 -6.406 0.331 1.00 0.16 H new ATOM 0 HB2 LEU A 80 18.056 -4.239 -0.446 1.00 0.18 H new ATOM 0 HB3 LEU A 80 19.748 -3.882 -0.161 1.00 0.18 H new ATOM 0 HG LEU A 80 18.684 -5.889 -2.221 1.00 0.17 H new ATOM 0 HD11 LEU A 80 19.602 -4.266 -3.793 1.00 0.37 H new ATOM 0 HD12 LEU A 80 18.369 -3.506 -2.759 1.00 0.37 H new ATOM 0 HD13 LEU A 80 20.097 -3.220 -2.442 1.00 0.37 H new ATOM 0 HD21 LEU A 80 21.066 -6.083 -2.833 1.00 0.18 H new ATOM 0 HD22 LEU A 80 21.506 -4.969 -1.516 1.00 0.18 H new ATOM 0 HD23 LEU A 80 20.822 -6.568 -1.139 1.00 0.18 H new ATOM 1278 N LYS A 81 18.020 -4.901 2.221 1.00 0.15 N ATOM 1279 CA LYS A 81 17.772 -4.363 3.577 1.00 0.22 C ATOM 1280 C LYS A 81 18.512 -5.206 4.643 1.00 0.19 C ATOM 1281 O LYS A 81 18.895 -4.682 5.663 1.00 0.45 O ATOM 1282 CB LYS A 81 16.266 -4.369 3.778 1.00 0.25 C ATOM 1283 CG LYS A 81 15.869 -3.384 4.924 1.00 0.44 C ATOM 1284 CD LYS A 81 14.319 -3.323 5.157 1.00 0.63 C ATOM 1285 CE LYS A 81 13.927 -2.607 6.503 1.00 0.67 C ATOM 1286 NZ LYS A 81 14.390 -1.178 6.534 1.00 1.06 N ATOM 0 H LYS A 81 17.208 -4.877 1.604 1.00 0.15 H new ATOM 0 HA LYS A 81 18.156 -3.348 3.683 1.00 0.22 H new ATOM 0 HB2 LYS A 81 15.767 -4.081 2.852 1.00 0.25 H new ATOM 0 HB3 LYS A 81 15.929 -5.376 4.022 1.00 0.25 H new ATOM 0 HG2 LYS A 81 16.360 -3.690 5.848 1.00 0.44 H new ATOM 0 HG3 LYS A 81 16.236 -2.386 4.684 1.00 0.44 H new ATOM 0 HD2 LYS A 81 13.852 -2.798 4.323 1.00 0.63 H new ATOM 0 HD3 LYS A 81 13.918 -4.336 5.161 1.00 0.63 H new ATOM 0 HE2 LYS A 81 12.845 -2.641 6.630 1.00 0.67 H new ATOM 0 HE3 LYS A 81 14.364 -3.148 7.342 1.00 0.67 H new ATOM 0 HZ1 LYS A 81 13.671 -0.590 7.002 1.00 1.06 H new ATOM 0 HZ2 LYS A 81 15.285 -1.114 7.060 1.00 1.06 H new ATOM 0 HZ3 LYS A 81 14.535 -0.839 5.562 1.00 1.06 H new ATOM 1300 N LYS A 82 18.685 -6.488 4.439 1.00 0.13 N ATOM 1301 CA LYS A 82 19.396 -7.359 5.408 1.00 0.31 C ATOM 1302 C LYS A 82 20.826 -7.659 5.026 1.00 0.30 C ATOM 1303 O LYS A 82 21.747 -7.602 5.813 1.00 0.39 O ATOM 1304 CB LYS A 82 18.618 -8.634 5.542 1.00 0.55 C ATOM 1305 CG LYS A 82 17.341 -8.214 6.249 1.00 0.89 C ATOM 1306 CD LYS A 82 17.655 -7.828 7.745 1.00 3.29 C ATOM 1307 CE LYS A 82 16.689 -6.742 8.206 1.00 4.49 C ATOM 1308 NZ LYS A 82 16.812 -5.595 7.248 1.00 4.99 N ATOM 0 H LYS A 82 18.348 -6.977 3.610 1.00 0.13 H new ATOM 0 HA LYS A 82 19.455 -6.823 6.355 1.00 0.31 H new ATOM 0 HB2 LYS A 82 18.408 -9.077 4.569 1.00 0.55 H new ATOM 0 HB3 LYS A 82 19.167 -9.378 6.119 1.00 0.55 H new ATOM 0 HG2 LYS A 82 16.892 -7.366 5.733 1.00 0.89 H new ATOM 0 HG3 LYS A 82 16.615 -9.026 6.219 1.00 0.89 H new ATOM 0 HD2 LYS A 82 17.563 -8.706 8.385 1.00 3.29 H new ATOM 0 HD3 LYS A 82 18.683 -7.476 7.832 1.00 3.29 H new ATOM 0 HE2 LYS A 82 15.667 -7.120 8.223 1.00 4.49 H new ATOM 0 HE3 LYS A 82 16.927 -6.422 9.220 1.00 4.49 H new ATOM 0 HZ1 LYS A 82 16.624 -4.703 7.749 1.00 4.99 H new ATOM 0 HZ2 LYS A 82 17.774 -5.574 6.853 1.00 4.99 H new ATOM 0 HZ3 LYS A 82 16.123 -5.711 6.477 1.00 4.99 H new ATOM 1322 N LYS A 83 20.934 -7.997 3.779 1.00 0.19 N ATOM 1323 CA LYS A 83 22.250 -8.333 3.174 1.00 0.18 C ATOM 1324 C LYS A 83 23.243 -7.256 3.644 1.00 0.18 C ATOM 1325 O LYS A 83 24.311 -7.516 4.165 1.00 0.24 O ATOM 1326 CB LYS A 83 22.043 -8.318 1.689 1.00 0.12 C ATOM 1327 CG LYS A 83 21.095 -9.442 1.274 1.00 0.12 C ATOM 1328 CD LYS A 83 20.673 -9.152 -0.177 1.00 0.15 C ATOM 1329 CE LYS A 83 20.040 -10.385 -0.777 1.00 0.19 C ATOM 1330 NZ LYS A 83 21.024 -11.504 -0.824 1.00 0.88 N ATOM 0 H LYS A 83 20.146 -8.057 3.134 1.00 0.19 H new ATOM 0 HA LYS A 83 22.643 -9.308 3.463 1.00 0.18 H new ATOM 0 HB2 LYS A 83 21.633 -7.356 1.382 1.00 0.12 H new ATOM 0 HB3 LYS A 83 23.000 -8.434 1.180 1.00 0.12 H new ATOM 0 HG2 LYS A 83 21.589 -10.411 1.347 1.00 0.12 H new ATOM 0 HG3 LYS A 83 20.225 -9.477 1.930 1.00 0.12 H new ATOM 0 HD2 LYS A 83 19.969 -8.321 -0.202 1.00 0.15 H new ATOM 0 HD3 LYS A 83 21.540 -8.853 -0.766 1.00 0.15 H new ATOM 0 HE2 LYS A 83 19.172 -10.680 -0.187 1.00 0.19 H new ATOM 0 HE3 LYS A 83 19.682 -10.165 -1.783 1.00 0.19 H new ATOM 0 HZ1 LYS A 83 20.584 -12.334 -1.270 1.00 0.88 H new ATOM 0 HZ2 LYS A 83 21.855 -11.213 -1.378 1.00 0.88 H new ATOM 0 HZ3 LYS A 83 21.320 -11.747 0.143 1.00 0.88 H new ATOM 1344 N TYR A 84 22.795 -6.049 3.423 1.00 0.13 N ATOM 1345 CA TYR A 84 23.645 -4.899 3.831 1.00 0.18 C ATOM 1346 C TYR A 84 23.082 -4.433 5.202 1.00 0.19 C ATOM 1347 O TYR A 84 23.953 -4.280 6.042 1.00 0.28 O ATOM 1348 CB TYR A 84 23.613 -3.920 2.547 1.00 0.21 C ATOM 1349 CG TYR A 84 24.009 -4.963 1.469 1.00 0.17 C ATOM 1350 CD1 TYR A 84 25.294 -5.474 1.467 1.00 0.82 C ATOM 1351 CD2 TYR A 84 23.088 -5.488 0.571 1.00 0.90 C ATOM 1352 CE1 TYR A 84 25.642 -6.491 0.602 1.00 0.83 C ATOM 1353 CE2 TYR A 84 23.448 -6.504 -0.283 1.00 0.90 C ATOM 1354 CZ TYR A 84 24.719 -7.008 -0.267 1.00 0.25 C ATOM 1355 OH TYR A 84 25.076 -8.035 -1.108 1.00 0.37 O ATOM 0 H TYR A 84 21.902 -5.815 2.990 1.00 0.13 H new ATOM 0 HA TYR A 84 24.705 -5.047 4.039 1.00 0.18 H new ATOM 0 HB2 TYR A 84 22.631 -3.480 2.372 1.00 0.21 H new ATOM 0 HB3 TYR A 84 24.323 -3.096 2.623 1.00 0.21 H new ATOM 0 HD1 TYR A 84 26.031 -5.074 2.148 1.00 0.82 H new ATOM 0 HD2 TYR A 84 22.082 -5.095 0.543 1.00 0.90 H new ATOM 0 HE1 TYR A 84 26.649 -6.882 0.610 1.00 0.83 H new ATOM 0 HE2 TYR A 84 22.721 -6.907 -0.972 1.00 0.90 H new ATOM 0 HH TYR A 84 24.351 -8.203 -1.745 1.00 0.37 H new ATOM 1365 N GLY A 85 21.807 -4.199 5.489 1.00 0.20 N ATOM 1366 CA GLY A 85 21.524 -3.786 6.930 1.00 0.38 C ATOM 1367 C GLY A 85 20.815 -2.513 7.317 1.00 0.61 C ATOM 1368 O GLY A 85 21.398 -1.655 7.943 1.00 0.70 O ATOM 0 H GLY A 85 21.011 -4.266 4.855 1.00 0.20 H new ATOM 0 HA2 GLY A 85 20.951 -4.601 7.374 1.00 0.38 H new ATOM 0 HA3 GLY A 85 22.489 -3.763 7.436 1.00 0.38 H new ATOM 1372 N ILE A 86 19.587 -2.413 6.927 1.00 0.72 N ATOM 1373 CA ILE A 86 18.753 -1.249 7.231 1.00 0.91 C ATOM 1374 C ILE A 86 17.380 -1.693 7.854 1.00 1.25 C ATOM 1375 O ILE A 86 17.138 -2.890 7.921 1.00 1.80 O ATOM 1376 CB ILE A 86 18.685 -0.475 5.865 1.00 0.54 C ATOM 1377 CG1 ILE A 86 17.285 -0.274 5.308 1.00 0.66 C ATOM 1378 CG2 ILE A 86 19.580 -0.995 4.741 1.00 0.33 C ATOM 1379 CD1 ILE A 86 16.956 1.234 5.272 1.00 0.69 C ATOM 1380 OXT ILE A 86 16.614 -0.825 8.242 1.00 1.35 O ATOM 0 H ILE A 86 19.111 -3.132 6.382 1.00 0.72 H new ATOM 0 HA ILE A 86 19.146 -0.586 8.002 1.00 0.91 H new ATOM 0 HB ILE A 86 19.086 0.487 6.185 1.00 0.54 H new ATOM 0 HG12 ILE A 86 17.217 -0.696 4.305 1.00 0.66 H new ATOM 0 HG13 ILE A 86 16.557 -0.801 5.925 1.00 0.66 H new ATOM 0 HG21 ILE A 86 19.443 -0.379 3.852 1.00 0.33 H new ATOM 0 HG22 ILE A 86 20.623 -0.951 5.056 1.00 0.33 H new ATOM 0 HG23 ILE A 86 19.314 -2.027 4.512 1.00 0.33 H new ATOM 0 HD11 ILE A 86 15.952 1.378 4.873 1.00 0.69 H new ATOM 0 HD12 ILE A 86 17.007 1.642 6.282 1.00 0.69 H new ATOM 0 HD13 ILE A 86 17.677 1.749 4.636 1.00 0.69 H new