USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 913 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 10 MET CE :methyl -108:sc= -0.47 (180deg=-2.16!) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.135 K(o=-0.61,f=-2.2!) USER MOD Set 2.1: A 32 THR OG1 : rot -49:sc= 1.2 USER MOD Set 2.2: A 61 SER OG : rot 6:sc= 0.234 USER MOD Set 3.1: A 35 ASN : amide:sc= -5.79! C(o=-6.4!,f=-9!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.583 K(o=-6.4,f=-11!) USER MOD Set 4.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 108 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.418) USER MOD Set 5.1: A 23 CYS SG : rot 140:sc= -0.393 USER MOD Set 5.2: A 26 CYS SG : rot 179:sc= -0.757 USER MOD Set 5.3: A 43 CYS SG : rot -132:sc= 0.236 USER MOD Set 5.4: A 46 CYS SG : rot 135:sc= 0.326 USER MOD Set 6.1: A 19 HIS : no HE2:sc= -2.51! C(o=-5.6!,f=-7!) USER MOD Set 6.2: A 20 ASN : amide:sc= -3.13! X(o=-5.6!,f=-5.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -147:sc= -3.73! (180deg=-6.01!) USER MOD Single : A 15 THR OG1 : rot -46:sc= 1.14 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -140:sc= -0.0909 (180deg=-0.273) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0.0387 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= -2.16 USER MOD Single : A 54 ASN : amide:sc= -1.33 K(o=-1.3,f=-7.9!) USER MOD Single : A 60 LYS NZ :NH3+ -150:sc= -0.49 (180deg=-1.06) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -123:sc= 0 (180deg=-0.09) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 70 GLN : amide:sc= -0.97 K(o=-0.97,f=-3!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.402 F(o=-1.4,f=-0.4) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.48 K(o=-1.5,f=-7.5!) USER MOD Single : A 83 CYS SG : rot -161:sc= -0.184 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -124:sc= 0.0163 (180deg=-0.422) USER MOD Single : A 112 GLN : amide:sc=-0.00188 K(o=-0.0019,f=-0.6) USER MOD Single : A 114 LYS NZ :NH3+ 178:sc= -7.2! (180deg=-7.35!) USER MOD Single : A 115 TYR OH : rot 72:sc= 0.00567 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0306) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.955 -20.017 5.474 1.00 0.00 N ATOM 60 CA GLY A 7 2.580 -18.630 5.268 1.00 0.00 C ATOM 61 C GLY A 7 2.117 -17.959 6.545 1.00 0.00 C ATOM 62 O GLY A 7 2.641 -16.912 6.930 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.431 -18.083 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.784 -18.579 4.525 1.00 0.00 H new ATOM 66 N LEU A 8 1.132 -18.559 7.204 1.00 0.00 N ATOM 67 CA LEU A 8 0.597 -18.012 8.446 1.00 0.00 C ATOM 68 C LEU A 8 1.723 -17.596 9.387 1.00 0.00 C ATOM 69 O LEU A 8 1.745 -16.471 9.888 1.00 0.00 O ATOM 70 CB LEU A 8 -0.303 -19.040 9.133 1.00 0.00 C ATOM 71 CG LEU A 8 -1.783 -18.999 8.749 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.366 -17.620 9.017 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.965 -19.383 7.288 1.00 0.00 C ATOM 0 H LEU A 8 0.687 -19.425 6.899 1.00 0.00 H new ATOM 0 HA LEU A 8 0.008 -17.128 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.082 -20.036 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.224 -18.900 10.211 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.319 -19.722 9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.420 -17.610 8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.269 -17.384 10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.828 -16.877 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.024 -19.349 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.416 -18.684 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.585 -20.392 7.127 1.00 0.00 H new ATOM 85 N LYS A 9 2.659 -18.509 9.622 1.00 0.00 N ATOM 86 CA LYS A 9 3.791 -18.237 10.500 1.00 0.00 C ATOM 87 C LYS A 9 4.379 -16.858 10.218 1.00 0.00 C ATOM 88 O LYS A 9 4.423 -16.000 11.100 1.00 0.00 O ATOM 89 CB LYS A 9 4.869 -19.309 10.323 1.00 0.00 C ATOM 90 CG LYS A 9 6.006 -19.199 11.325 1.00 0.00 C ATOM 91 CD LYS A 9 5.592 -19.708 12.696 1.00 0.00 C ATOM 92 CE LYS A 9 6.767 -19.729 13.661 1.00 0.00 C ATOM 93 NZ LYS A 9 6.390 -20.305 14.981 1.00 0.00 N ATOM 0 H LYS A 9 2.656 -19.445 9.216 1.00 0.00 H new ATOM 0 HA LYS A 9 3.433 -18.256 11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.409 -20.293 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.277 -19.240 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.863 -19.769 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.325 -18.159 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.802 -19.074 13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.178 -20.712 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.581 -20.312 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.140 -18.715 13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.218 -20.302 15.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.631 -19.734 15.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.058 -21.282 14.851 1.00 0.00 H new ATOM 107 N MET A 10 4.828 -16.652 8.985 1.00 0.00 N ATOM 108 CA MET A 10 5.411 -15.375 8.587 1.00 0.00 C ATOM 109 C MET A 10 4.398 -14.245 8.740 1.00 0.00 C ATOM 110 O MET A 10 4.708 -13.193 9.302 1.00 0.00 O ATOM 111 CB MET A 10 5.902 -15.443 7.140 1.00 0.00 C ATOM 112 CG MET A 10 7.152 -16.290 6.962 1.00 0.00 C ATOM 113 SD MET A 10 7.939 -16.037 5.359 1.00 0.00 S ATOM 114 CE MET A 10 6.819 -16.930 4.286 1.00 0.00 C ATOM 0 H MET A 10 4.800 -17.352 8.244 1.00 0.00 H new ATOM 0 HA MET A 10 6.259 -15.171 9.241 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.107 -15.847 6.514 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.104 -14.432 6.786 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.863 -16.052 7.753 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.892 -17.343 7.073 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.296 -17.850 3.947 1.00 0.00 H new ATOM 0 HE2 MET A 10 5.908 -17.174 4.833 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.570 -16.311 3.424 1.00 0.00 H new ATOM 124 N LEU A 11 3.189 -14.467 8.237 1.00 0.00 N ATOM 125 CA LEU A 11 2.131 -13.466 8.318 1.00 0.00 C ATOM 126 C LEU A 11 2.141 -12.771 9.676 1.00 0.00 C ATOM 127 O LEU A 11 2.249 -11.548 9.757 1.00 0.00 O ATOM 128 CB LEU A 11 0.768 -14.116 8.075 1.00 0.00 C ATOM 129 CG LEU A 11 -0.388 -13.160 7.777 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.105 -12.358 6.516 1.00 0.00 C ATOM 131 CD2 LEU A 11 -1.694 -13.929 7.640 1.00 0.00 C ATOM 0 H LEU A 11 2.917 -15.331 7.769 1.00 0.00 H new ATOM 0 HA LEU A 11 2.313 -12.718 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.863 -14.811 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.508 -14.706 8.953 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.484 -12.465 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.938 -11.683 6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.808 -11.778 6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.018 -13.037 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.506 -13.233 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.610 -14.647 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.904 -14.459 8.569 1.00 0.00 H new ATOM 143 N ARG A 12 2.030 -13.560 10.740 1.00 0.00 N ATOM 144 CA ARG A 12 2.028 -13.021 12.094 1.00 0.00 C ATOM 145 C ARG A 12 3.186 -12.048 12.294 1.00 0.00 C ATOM 146 O ARG A 12 3.013 -10.971 12.866 1.00 0.00 O ATOM 147 CB ARG A 12 2.118 -14.155 13.117 1.00 0.00 C ATOM 148 CG ARG A 12 0.988 -15.165 13.008 1.00 0.00 C ATOM 149 CD ARG A 12 1.258 -16.397 13.858 1.00 0.00 C ATOM 150 NE ARG A 12 0.750 -16.245 15.219 1.00 0.00 N ATOM 151 CZ ARG A 12 1.213 -16.932 16.257 1.00 0.00 C ATOM 152 NH1 ARG A 12 2.189 -17.814 16.090 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.700 -16.737 17.465 1.00 0.00 N ATOM 0 H ARG A 12 1.940 -14.575 10.690 1.00 0.00 H new ATOM 0 HA ARG A 12 1.093 -12.481 12.242 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.069 -14.672 12.991 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.117 -13.729 14.120 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.053 -14.702 13.323 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.862 -15.461 11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.794 -17.267 13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.331 -16.587 13.891 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.001 -15.575 15.381 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.586 -17.966 15.163 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.543 -18.340 16.889 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.051 -16.059 17.597 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.056 -17.265 18.262 1.00 0.00 H new ATOM 167 N ASP A 13 4.365 -12.434 11.819 1.00 0.00 N ATOM 168 CA ASP A 13 5.552 -11.596 11.945 1.00 0.00 C ATOM 169 C ASP A 13 5.241 -10.153 11.559 1.00 0.00 C ATOM 170 O ASP A 13 5.625 -9.217 12.259 1.00 0.00 O ATOM 171 CB ASP A 13 6.681 -12.140 11.069 1.00 0.00 C ATOM 172 CG ASP A 13 8.028 -11.539 11.422 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.290 -11.336 12.626 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.819 -11.272 10.494 1.00 0.00 O ATOM 0 H ASP A 13 4.524 -13.322 11.343 1.00 0.00 H new ATOM 0 HA ASP A 13 5.871 -11.614 12.987 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.730 -13.224 11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.457 -11.933 10.023 1.00 0.00 H new ATOM 179 N MET A 14 4.545 -9.982 10.439 1.00 0.00 N ATOM 180 CA MET A 14 4.183 -8.653 9.960 1.00 0.00 C ATOM 181 C MET A 14 3.269 -7.947 10.956 1.00 0.00 C ATOM 182 O MET A 14 3.591 -6.867 11.453 1.00 0.00 O ATOM 183 CB MET A 14 3.495 -8.749 8.597 1.00 0.00 C ATOM 184 CG MET A 14 4.429 -9.170 7.473 1.00 0.00 C ATOM 185 SD MET A 14 4.488 -10.959 7.253 1.00 0.00 S ATOM 186 CE MET A 14 3.438 -11.158 5.816 1.00 0.00 C ATOM 0 H MET A 14 4.221 -10.747 9.847 1.00 0.00 H new ATOM 0 HA MET A 14 5.098 -8.069 9.857 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.674 -9.463 8.663 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.057 -7.782 8.351 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.105 -8.704 6.543 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.433 -8.800 7.682 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.905 -12.106 5.884 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.719 -10.340 5.774 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.050 -11.150 4.914 1.00 0.00 H new ATOM 196 N THR A 15 2.126 -8.562 11.243 1.00 0.00 N ATOM 197 CA THR A 15 1.165 -7.991 12.178 1.00 0.00 C ATOM 198 C THR A 15 1.863 -7.435 13.413 1.00 0.00 C ATOM 199 O THR A 15 1.421 -6.445 13.995 1.00 0.00 O ATOM 200 CB THR A 15 0.121 -9.035 12.618 1.00 0.00 C ATOM 201 OG1 THR A 15 0.757 -10.079 13.364 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.592 -9.629 11.412 1.00 0.00 C ATOM 0 H THR A 15 1.843 -9.456 10.841 1.00 0.00 H new ATOM 0 HA THR A 15 0.659 -7.180 11.655 1.00 0.00 H new ATOM 0 HB THR A 15 -0.616 -8.536 13.247 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.573 -10.362 12.901 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.324 -10.363 11.748 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.099 -8.836 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.136 -10.114 10.761 1.00 0.00 H new ATOM 210 N GLY A 16 2.957 -8.079 13.810 1.00 0.00 N ATOM 211 CA GLY A 16 3.699 -7.633 14.974 1.00 0.00 C ATOM 212 C GLY A 16 4.297 -6.253 14.787 1.00 0.00 C ATOM 213 O GLY A 16 4.198 -5.400 15.671 1.00 0.00 O ATOM 0 H GLY A 16 3.342 -8.902 13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.038 -7.625 15.841 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.496 -8.345 15.188 1.00 0.00 H new ATOM 217 N LEU A 17 4.920 -6.031 13.635 1.00 0.00 N ATOM 218 CA LEU A 17 5.538 -4.744 13.336 1.00 0.00 C ATOM 219 C LEU A 17 4.694 -3.595 13.876 1.00 0.00 C ATOM 220 O LEU A 17 3.478 -3.707 14.036 1.00 0.00 O ATOM 221 CB LEU A 17 5.728 -4.587 11.826 1.00 0.00 C ATOM 222 CG LEU A 17 6.716 -5.552 11.169 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.567 -5.521 9.656 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.143 -5.211 11.574 1.00 0.00 C ATOM 0 H LEU A 17 5.011 -6.725 12.893 1.00 0.00 H new ATOM 0 HA LEU A 17 6.512 -4.714 13.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.758 -4.708 11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.059 -3.568 11.626 1.00 0.00 H new ATOM 0 HG LEU A 17 6.493 -6.562 11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.278 -6.214 9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.553 -5.814 9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.763 -4.513 9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.833 -5.908 11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.378 -4.195 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.242 -5.286 12.657 1.00 0.00 H new ATOM 236 N PRO A 18 5.350 -2.461 14.162 1.00 0.00 N ATOM 237 CA PRO A 18 4.679 -1.268 14.686 1.00 0.00 C ATOM 238 C PRO A 18 3.784 -0.602 13.646 1.00 0.00 C ATOM 239 O PRO A 18 2.614 -0.322 13.907 1.00 0.00 O ATOM 240 CB PRO A 18 5.840 -0.344 15.062 1.00 0.00 C ATOM 241 CG PRO A 18 6.966 -0.774 14.186 1.00 0.00 C ATOM 242 CD PRO A 18 6.799 -2.256 13.996 1.00 0.00 C ATOM 0 HA PRO A 18 4.018 -1.506 15.519 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.584 0.702 14.893 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.099 -0.442 16.116 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.938 -0.252 13.229 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.928 -0.545 14.646 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.140 -2.576 13.011 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.372 -2.822 14.731 1.00 0.00 H new ATOM 250 N HIS A 19 4.342 -0.352 12.465 1.00 0.00 N ATOM 251 CA HIS A 19 3.593 0.280 11.385 1.00 0.00 C ATOM 252 C HIS A 19 2.455 -0.621 10.914 1.00 0.00 C ATOM 253 O HIS A 19 1.592 -0.196 10.146 1.00 0.00 O ATOM 254 CB HIS A 19 4.521 0.603 10.214 1.00 0.00 C ATOM 255 CG HIS A 19 5.389 -0.547 9.802 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.591 -0.837 10.411 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.221 -1.481 8.838 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.127 -1.900 9.837 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.315 -2.310 8.880 1.00 0.00 N ATOM 0 H HIS A 19 5.309 -0.577 12.232 1.00 0.00 H new ATOM 0 HA HIS A 19 3.165 1.207 11.766 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.920 0.918 9.361 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.155 1.447 10.486 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.002 -0.313 11.184 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.383 -1.560 8.162 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.069 -2.356 10.105 1.00 0.00 H new ATOM 267 N ASN A 20 2.460 -1.866 11.379 1.00 0.00 N ATOM 268 CA ASN A 20 1.429 -2.826 11.004 1.00 0.00 C ATOM 269 C ASN A 20 0.625 -3.266 12.224 1.00 0.00 C ATOM 270 O ASN A 20 0.185 -4.412 12.310 1.00 0.00 O ATOM 271 CB ASN A 20 2.059 -4.046 10.328 1.00 0.00 C ATOM 272 CG ASN A 20 2.793 -3.684 9.051 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.440 -2.721 8.371 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.821 -4.458 8.721 1.00 0.00 N ATOM 0 H ASN A 20 3.167 -2.233 12.016 1.00 0.00 H new ATOM 0 HA ASN A 20 0.753 -2.338 10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.753 -4.524 11.020 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.281 -4.775 10.103 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.354 -4.264 7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.078 -5.246 9.316 1.00 0.00 H new ATOM 281 N ARG A 21 0.437 -2.346 13.164 1.00 0.00 N ATOM 282 CA ARG A 21 -0.313 -2.638 14.380 1.00 0.00 C ATOM 283 C ARG A 21 -1.803 -2.383 14.174 1.00 0.00 C ATOM 284 O ARG A 21 -2.647 -3.141 14.653 1.00 0.00 O ATOM 285 CB ARG A 21 0.205 -1.787 15.541 1.00 0.00 C ATOM 286 CG ARG A 21 1.607 -2.163 15.993 1.00 0.00 C ATOM 287 CD ARG A 21 1.621 -3.504 16.709 1.00 0.00 C ATOM 288 NE ARG A 21 1.017 -3.422 18.036 1.00 0.00 N ATOM 289 CZ ARG A 21 0.970 -4.442 18.886 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.490 -5.614 18.550 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.403 -4.290 20.077 1.00 0.00 N ATOM 0 H ARG A 21 0.794 -1.392 13.107 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.172 -3.692 14.620 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.197 -0.738 15.244 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.478 -1.884 16.385 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.270 -2.204 15.129 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.996 -1.391 16.657 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.084 -4.240 16.111 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.649 -3.856 16.800 1.00 0.00 H new ATOM 0 HE ARG A 21 0.609 -2.533 18.326 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.928 -5.735 17.637 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.452 -6.395 19.205 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.003 -3.389 20.340 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.368 -5.074 20.729 1.00 0.00 H new ATOM 305 N LYS A 22 -2.121 -1.310 13.457 1.00 0.00 N ATOM 306 CA LYS A 22 -3.509 -0.954 13.186 1.00 0.00 C ATOM 307 C LYS A 22 -3.758 -0.839 11.686 1.00 0.00 C ATOM 308 O LYS A 22 -2.866 -1.095 10.877 1.00 0.00 O ATOM 309 CB LYS A 22 -3.862 0.366 13.875 1.00 0.00 C ATOM 310 CG LYS A 22 -2.958 1.520 13.478 1.00 0.00 C ATOM 311 CD LYS A 22 -1.734 1.604 14.375 1.00 0.00 C ATOM 312 CE LYS A 22 -2.073 2.214 15.726 1.00 0.00 C ATOM 313 NZ LYS A 22 -0.911 2.181 16.657 1.00 0.00 N ATOM 0 H LYS A 22 -1.436 -0.672 13.053 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.145 -1.745 13.582 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.894 0.625 13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.808 0.228 14.955 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.643 1.397 12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.515 2.455 13.533 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.318 0.607 14.519 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.965 2.203 13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.398 3.245 15.588 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.909 1.673 16.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.183 2.606 17.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.616 1.195 16.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.121 2.719 16.246 1.00 0.00 H new ATOM 327 N CYS A 23 -4.975 -0.452 11.320 1.00 0.00 N ATOM 328 CA CYS A 23 -5.342 -0.302 9.918 1.00 0.00 C ATOM 329 C CYS A 23 -4.492 0.773 9.245 1.00 0.00 C ATOM 330 O CYS A 23 -3.686 1.439 9.895 1.00 0.00 O ATOM 331 CB CYS A 23 -6.825 0.052 9.791 1.00 0.00 C ATOM 332 SG CYS A 23 -7.578 -0.453 8.211 1.00 0.00 S ATOM 0 H CYS A 23 -5.725 -0.236 11.977 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.159 -1.253 9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.371 -0.419 10.608 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.942 1.129 9.909 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.771 -0.921 8.429 1.00 0.00 H new ATOM 337 N PHE A 24 -4.679 0.936 7.939 1.00 0.00 N ATOM 338 CA PHE A 24 -3.930 1.928 7.178 1.00 0.00 C ATOM 339 C PHE A 24 -4.733 3.217 7.027 1.00 0.00 C ATOM 340 O PHE A 24 -4.167 4.294 6.837 1.00 0.00 O ATOM 341 CB PHE A 24 -3.567 1.376 5.798 1.00 0.00 C ATOM 342 CG PHE A 24 -2.792 2.344 4.950 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.385 3.505 4.483 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.470 2.092 4.620 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.675 4.398 3.702 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.755 2.981 3.840 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.358 4.135 3.380 1.00 0.00 C ATOM 0 H PHE A 24 -5.343 0.394 7.386 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.014 2.153 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.982 0.465 5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.482 1.098 5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.415 3.715 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.993 1.191 4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.150 5.300 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.275 2.773 3.590 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.801 4.830 2.770 1.00 0.00 H new ATOM 357 N ASP A 25 -6.053 3.098 7.113 1.00 0.00 N ATOM 358 CA ASP A 25 -6.934 4.253 6.987 1.00 0.00 C ATOM 359 C ASP A 25 -7.519 4.641 8.341 1.00 0.00 C ATOM 360 O ASP A 25 -7.169 5.677 8.907 1.00 0.00 O ATOM 361 CB ASP A 25 -8.062 3.955 5.997 1.00 0.00 C ATOM 362 CG ASP A 25 -7.644 2.970 4.923 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.491 3.060 4.451 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.469 2.109 4.555 1.00 0.00 O ATOM 0 H ASP A 25 -6.537 2.214 7.269 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.344 5.090 6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.920 3.556 6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.385 4.884 5.528 1.00 0.00 H new ATOM 369 N CYS A 26 -8.412 3.803 8.856 1.00 0.00 N ATOM 370 CA CYS A 26 -9.048 4.058 10.143 1.00 0.00 C ATOM 371 C CYS A 26 -8.076 3.797 11.291 1.00 0.00 C ATOM 372 O CYS A 26 -8.387 4.057 12.453 1.00 0.00 O ATOM 373 CB CYS A 26 -10.291 3.181 10.304 1.00 0.00 C ATOM 374 SG CYS A 26 -9.927 1.418 10.584 1.00 0.00 S ATOM 0 H CYS A 26 -8.712 2.941 8.401 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.345 5.106 10.172 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.881 3.556 11.140 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.908 3.276 9.410 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.040 0.763 10.730 1.00 0.00 H new ATOM 379 N ASP A 27 -6.899 3.281 10.955 1.00 0.00 N ATOM 380 CA ASP A 27 -5.880 2.986 11.957 1.00 0.00 C ATOM 381 C ASP A 27 -6.489 2.265 13.155 1.00 0.00 C ATOM 382 O ASP A 27 -6.195 2.595 14.304 1.00 0.00 O ATOM 383 CB ASP A 27 -5.196 4.275 12.415 1.00 0.00 C ATOM 384 CG ASP A 27 -3.986 4.620 11.570 1.00 0.00 C ATOM 385 OD1 ASP A 27 -2.965 3.910 11.679 1.00 0.00 O ATOM 386 OD2 ASP A 27 -4.059 5.600 10.800 1.00 0.00 O ATOM 0 H ASP A 27 -6.626 3.058 9.998 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.136 2.332 11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.911 5.097 12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.891 4.171 13.456 1.00 0.00 H new ATOM 391 N GLN A 28 -7.339 1.281 12.878 1.00 0.00 N ATOM 392 CA GLN A 28 -7.991 0.516 13.934 1.00 0.00 C ATOM 393 C GLN A 28 -7.100 -0.628 14.407 1.00 0.00 C ATOM 394 O GLN A 28 -6.978 -1.652 13.733 1.00 0.00 O ATOM 395 CB GLN A 28 -9.330 -0.035 13.442 1.00 0.00 C ATOM 396 CG GLN A 28 -9.980 -1.011 14.410 1.00 0.00 C ATOM 397 CD GLN A 28 -11.093 -1.815 13.768 1.00 0.00 C ATOM 398 OE1 GLN A 28 -10.910 -2.415 12.708 1.00 0.00 O ATOM 399 NE2 GLN A 28 -12.256 -1.833 14.409 1.00 0.00 N ATOM 0 H GLN A 28 -7.592 0.995 11.932 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.169 1.186 14.775 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.012 0.796 13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.179 -0.533 12.484 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.222 -1.692 14.797 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.379 -0.460 15.262 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.364 -1.321 15.285 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.042 -2.358 14.025 1.00 0.00 H new ATOM 408 N ARG A 29 -6.478 -0.447 15.567 1.00 0.00 N ATOM 409 CA ARG A 29 -5.596 -1.464 16.128 1.00 0.00 C ATOM 410 C ARG A 29 -6.216 -2.852 15.999 1.00 0.00 C ATOM 411 O ARG A 29 -7.340 -3.085 16.443 1.00 0.00 O ATOM 412 CB ARG A 29 -5.302 -1.159 17.598 1.00 0.00 C ATOM 413 CG ARG A 29 -3.978 -1.726 18.085 1.00 0.00 C ATOM 414 CD ARG A 29 -3.799 -1.516 19.580 1.00 0.00 C ATOM 415 NE ARG A 29 -3.432 -0.139 19.900 1.00 0.00 N ATOM 416 CZ ARG A 29 -2.995 0.247 21.093 1.00 0.00 C ATOM 417 NH1 ARG A 29 -2.871 -0.636 22.075 1.00 0.00 N ATOM 418 NH2 ARG A 29 -2.680 1.518 21.307 1.00 0.00 N ATOM 0 H ARG A 29 -6.568 0.394 16.137 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.662 -1.449 15.567 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.300 -0.079 17.743 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.108 -1.561 18.212 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.931 -2.791 17.858 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.157 -1.249 17.549 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.724 -1.773 20.095 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.029 -2.192 19.951 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.516 0.565 19.167 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.112 -1.614 21.915 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.535 -0.337 22.990 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.773 2.200 20.555 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.344 1.813 22.224 1.00 0.00 H new ATOM 432 N GLY A 30 -5.475 -3.771 15.387 1.00 0.00 N ATOM 433 CA GLY A 30 -5.968 -5.124 15.210 1.00 0.00 C ATOM 434 C GLY A 30 -6.559 -5.350 13.833 1.00 0.00 C ATOM 435 O GLY A 30 -7.739 -5.668 13.684 1.00 0.00 O ATOM 0 H GLY A 30 -4.542 -3.602 15.011 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.152 -5.829 15.372 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.725 -5.333 15.966 1.00 0.00 H new ATOM 439 N PRO A 31 -5.727 -5.184 12.794 1.00 0.00 N ATOM 440 CA PRO A 31 -6.152 -5.366 11.402 1.00 0.00 C ATOM 441 C PRO A 31 -6.435 -6.827 11.069 1.00 0.00 C ATOM 442 O PRO A 31 -5.781 -7.732 11.590 1.00 0.00 O ATOM 443 CB PRO A 31 -4.956 -4.855 10.596 1.00 0.00 C ATOM 444 CG PRO A 31 -3.787 -5.027 11.503 1.00 0.00 C ATOM 445 CD PRO A 31 -4.308 -4.807 12.896 1.00 0.00 C ATOM 0 HA PRO A 31 -7.083 -4.841 11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.829 -5.422 9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.087 -3.811 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.357 -6.023 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.999 -4.313 11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.780 -5.423 13.624 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.190 -3.770 13.210 1.00 0.00 H new ATOM 453 N THR A 32 -7.413 -7.052 10.196 1.00 0.00 N ATOM 454 CA THR A 32 -7.782 -8.403 9.794 1.00 0.00 C ATOM 455 C THR A 32 -7.888 -8.515 8.277 1.00 0.00 C ATOM 456 O THR A 32 -8.508 -9.442 7.756 1.00 0.00 O ATOM 457 CB THR A 32 -9.121 -8.830 10.423 1.00 0.00 C ATOM 458 OG1 THR A 32 -9.496 -10.127 9.945 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.217 -7.827 10.097 1.00 0.00 C ATOM 0 H THR A 32 -7.963 -6.315 9.754 1.00 0.00 H new ATOM 0 HA THR A 32 -6.994 -9.066 10.151 1.00 0.00 H new ATOM 0 HB THR A 32 -8.993 -8.865 11.505 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.424 -10.149 8.968 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.153 -8.150 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.942 -6.848 10.489 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.342 -7.763 9.016 1.00 0.00 H new ATOM 467 N TYR A 33 -7.278 -7.567 7.575 1.00 0.00 N ATOM 468 CA TYR A 33 -7.305 -7.559 6.117 1.00 0.00 C ATOM 469 C TYR A 33 -6.024 -6.954 5.552 1.00 0.00 C ATOM 470 O TYR A 33 -5.306 -6.232 6.244 1.00 0.00 O ATOM 471 CB TYR A 33 -8.518 -6.775 5.613 1.00 0.00 C ATOM 472 CG TYR A 33 -9.794 -7.585 5.586 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.522 -7.811 6.748 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.273 -8.125 4.398 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.688 -8.552 6.728 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.439 -8.865 4.368 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.143 -9.076 5.536 1.00 0.00 C ATOM 478 OH TYR A 33 -13.304 -9.814 5.511 1.00 0.00 O ATOM 0 H TYR A 33 -6.759 -6.794 7.992 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.380 -8.591 5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.665 -5.902 6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.310 -6.407 4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.170 -7.400 7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.724 -7.963 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.240 -8.720 7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.798 -9.276 3.436 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.485 -10.109 4.594 1.00 0.00 H new ATOM 488 N VAL A 34 -5.743 -7.254 4.287 1.00 0.00 N ATOM 489 CA VAL A 34 -4.550 -6.740 3.626 1.00 0.00 C ATOM 490 C VAL A 34 -4.841 -6.372 2.176 1.00 0.00 C ATOM 491 O VAL A 34 -5.214 -7.225 1.371 1.00 0.00 O ATOM 492 CB VAL A 34 -3.401 -7.766 3.664 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.825 -7.871 5.068 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.883 -9.123 3.173 1.00 0.00 C ATOM 0 H VAL A 34 -6.326 -7.851 3.700 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.246 -5.846 4.171 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.609 -7.424 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.015 -8.600 5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.441 -6.899 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.606 -8.189 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.059 -9.836 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.693 -9.475 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.243 -9.032 2.148 1.00 0.00 H new ATOM 504 N ASN A 35 -4.666 -5.096 1.848 1.00 0.00 N ATOM 505 CA ASN A 35 -4.910 -4.614 0.493 1.00 0.00 C ATOM 506 C ASN A 35 -3.817 -5.090 -0.458 1.00 0.00 C ATOM 507 O ASN A 35 -2.722 -4.529 -0.493 1.00 0.00 O ATOM 508 CB ASN A 35 -4.985 -3.086 0.479 1.00 0.00 C ATOM 509 CG ASN A 35 -5.814 -2.559 -0.676 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.865 -3.111 -1.003 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.345 -1.484 -1.299 1.00 0.00 N ATOM 0 H ASN A 35 -4.356 -4.377 2.502 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.863 -5.021 0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.413 -2.737 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.977 -2.676 0.416 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.861 -1.083 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.469 -1.059 -0.994 1.00 0.00 H new ATOM 518 N MET A 36 -4.122 -6.129 -1.230 1.00 0.00 N ATOM 519 CA MET A 36 -3.166 -6.679 -2.183 1.00 0.00 C ATOM 520 C MET A 36 -2.680 -5.603 -3.148 1.00 0.00 C ATOM 521 O MET A 36 -1.482 -5.483 -3.410 1.00 0.00 O ATOM 522 CB MET A 36 -3.799 -7.832 -2.965 1.00 0.00 C ATOM 523 CG MET A 36 -3.948 -9.108 -2.151 1.00 0.00 C ATOM 524 SD MET A 36 -2.499 -10.175 -2.262 1.00 0.00 S ATOM 525 CE MET A 36 -1.710 -9.838 -0.690 1.00 0.00 C ATOM 0 H MET A 36 -5.023 -6.606 -1.214 1.00 0.00 H new ATOM 0 HA MET A 36 -2.309 -7.055 -1.624 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.781 -7.522 -3.323 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.191 -8.041 -3.845 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.125 -8.850 -1.107 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.825 -9.655 -2.497 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.631 -9.780 -0.830 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.077 -8.891 -0.295 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.942 -10.638 0.013 1.00 0.00 H new ATOM 535 N THR A 37 -3.616 -4.820 -3.676 1.00 0.00 N ATOM 536 CA THR A 37 -3.283 -3.754 -4.612 1.00 0.00 C ATOM 537 C THR A 37 -2.166 -2.871 -4.066 1.00 0.00 C ATOM 538 O THR A 37 -1.197 -2.575 -4.765 1.00 0.00 O ATOM 539 CB THR A 37 -4.509 -2.877 -4.925 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.459 -3.619 -5.698 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.099 -1.624 -5.684 1.00 0.00 C ATOM 0 H THR A 37 -4.612 -4.905 -3.471 1.00 0.00 H new ATOM 0 HA THR A 37 -2.946 -4.235 -5.530 1.00 0.00 H new ATOM 0 HB THR A 37 -4.964 -2.578 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.959 -3.007 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.982 -1.020 -5.894 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.399 -1.046 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.622 -1.907 -6.622 1.00 0.00 H new ATOM 549 N VAL A 38 -2.308 -2.454 -2.812 1.00 0.00 N ATOM 550 CA VAL A 38 -1.310 -1.606 -2.172 1.00 0.00 C ATOM 551 C VAL A 38 -0.488 -2.394 -1.158 1.00 0.00 C ATOM 552 O VAL A 38 0.179 -1.816 -0.300 1.00 0.00 O ATOM 553 CB VAL A 38 -1.965 -0.405 -1.463 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.930 0.668 -1.163 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.099 0.158 -2.307 1.00 0.00 C ATOM 0 H VAL A 38 -3.104 -2.690 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.654 -1.239 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.382 -0.748 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.411 1.508 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.155 0.256 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.480 1.010 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.550 1.006 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.708 0.486 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.852 -0.614 -2.465 1.00 0.00 H new ATOM 565 N GLY A 39 -0.541 -3.718 -1.263 1.00 0.00 N ATOM 566 CA GLY A 39 0.203 -4.565 -0.349 1.00 0.00 C ATOM 567 C GLY A 39 0.244 -4.004 1.059 1.00 0.00 C ATOM 568 O GLY A 39 1.257 -4.114 1.749 1.00 0.00 O ATOM 0 H GLY A 39 -1.086 -4.219 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.249 -5.557 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.221 -4.686 -0.718 1.00 0.00 H new ATOM 572 N SER A 40 -0.860 -3.399 1.485 1.00 0.00 N ATOM 573 CA SER A 40 -0.945 -2.813 2.818 1.00 0.00 C ATOM 574 C SER A 40 -1.849 -3.646 3.721 1.00 0.00 C ATOM 575 O SER A 40 -2.435 -4.638 3.288 1.00 0.00 O ATOM 576 CB SER A 40 -1.470 -1.378 2.735 1.00 0.00 C ATOM 577 OG SER A 40 -2.831 -1.356 2.343 1.00 0.00 O ATOM 0 H SER A 40 -1.708 -3.302 0.927 1.00 0.00 H new ATOM 0 HA SER A 40 0.057 -2.801 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.359 -0.890 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.873 -0.810 2.022 1.00 0.00 H new ATOM 0 HG SER A 40 -3.144 -0.428 2.299 1.00 0.00 H new ATOM 583 N PHE A 41 -1.957 -3.235 4.980 1.00 0.00 N ATOM 584 CA PHE A 41 -2.788 -3.944 5.947 1.00 0.00 C ATOM 585 C PHE A 41 -4.044 -3.142 6.275 1.00 0.00 C ATOM 586 O PHE A 41 -3.969 -2.059 6.855 1.00 0.00 O ATOM 587 CB PHE A 41 -1.997 -4.219 7.227 1.00 0.00 C ATOM 588 CG PHE A 41 -1.027 -5.359 7.099 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.032 -5.335 6.135 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.111 -6.456 7.942 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.862 -6.382 6.015 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.220 -7.505 7.826 1.00 0.00 C ATOM 593 CZ PHE A 41 0.767 -7.469 6.861 1.00 0.00 C ATOM 0 H PHE A 41 -1.480 -2.415 5.355 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.089 -4.893 5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.452 -3.318 7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.694 -4.435 8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.046 -4.488 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.882 -6.491 8.698 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.634 -6.350 5.260 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.295 -8.353 8.490 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.463 -8.289 6.768 1.00 0.00 H new ATOM 603 N VAL A 42 -5.199 -3.682 5.898 1.00 0.00 N ATOM 604 CA VAL A 42 -6.472 -3.018 6.151 1.00 0.00 C ATOM 605 C VAL A 42 -7.380 -3.883 7.018 1.00 0.00 C ATOM 606 O VAL A 42 -7.027 -5.007 7.377 1.00 0.00 O ATOM 607 CB VAL A 42 -7.202 -2.683 4.837 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.422 -1.646 4.042 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.422 -3.943 4.014 1.00 0.00 C ATOM 0 H VAL A 42 -5.279 -4.578 5.416 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.246 -2.091 6.678 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.177 -2.261 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.953 -1.422 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.321 -0.735 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.432 -2.037 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.939 -3.688 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.459 -4.396 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.026 -4.649 4.584 1.00 0.00 H new ATOM 619 N CYS A 43 -8.552 -3.353 7.351 1.00 0.00 N ATOM 620 CA CYS A 43 -9.512 -4.076 8.176 1.00 0.00 C ATOM 621 C CYS A 43 -10.762 -4.427 7.374 1.00 0.00 C ATOM 622 O CYS A 43 -10.882 -4.070 6.201 1.00 0.00 O ATOM 623 CB CYS A 43 -9.896 -3.241 9.399 1.00 0.00 C ATOM 624 SG CYS A 43 -10.976 -1.823 9.022 1.00 0.00 S ATOM 0 H CYS A 43 -8.860 -2.425 7.062 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.043 -5.002 8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.398 -3.884 10.122 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.987 -2.875 9.876 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.507 -0.755 9.597 1.00 0.00 H new ATOM 629 N THR A 44 -11.691 -5.130 8.014 1.00 0.00 N ATOM 630 CA THR A 44 -12.931 -5.532 7.362 1.00 0.00 C ATOM 631 C THR A 44 -13.733 -4.316 6.911 1.00 0.00 C ATOM 632 O THR A 44 -14.396 -4.348 5.874 1.00 0.00 O ATOM 633 CB THR A 44 -13.804 -6.392 8.295 1.00 0.00 C ATOM 634 OG1 THR A 44 -14.991 -6.806 7.610 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.180 -5.618 9.549 1.00 0.00 C ATOM 0 H THR A 44 -11.608 -5.433 8.984 1.00 0.00 H new ATOM 0 HA THR A 44 -12.653 -6.124 6.490 1.00 0.00 H new ATOM 0 HB THR A 44 -13.229 -7.270 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.540 -7.354 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.796 -6.245 10.193 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.275 -5.329 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.739 -4.724 9.271 1.00 0.00 H new ATOM 643 N SER A 45 -13.668 -3.246 7.696 1.00 0.00 N ATOM 644 CA SER A 45 -14.392 -2.020 7.378 1.00 0.00 C ATOM 645 C SER A 45 -13.865 -1.397 6.089 1.00 0.00 C ATOM 646 O SER A 45 -14.561 -1.362 5.073 1.00 0.00 O ATOM 647 CB SER A 45 -14.270 -1.019 8.529 1.00 0.00 C ATOM 648 OG SER A 45 -15.216 0.028 8.395 1.00 0.00 O ATOM 0 H SER A 45 -13.122 -3.203 8.556 1.00 0.00 H new ATOM 0 HA SER A 45 -15.443 -2.273 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.422 -1.532 9.479 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.263 -0.603 8.549 1.00 0.00 H new ATOM 0 HG SER A 45 -15.120 0.654 9.143 1.00 0.00 H new ATOM 654 N CYS A 46 -12.631 -0.906 6.138 1.00 0.00 N ATOM 655 CA CYS A 46 -12.009 -0.283 4.976 1.00 0.00 C ATOM 656 C CYS A 46 -11.967 -1.251 3.797 1.00 0.00 C ATOM 657 O CYS A 46 -12.413 -0.927 2.697 1.00 0.00 O ATOM 658 CB CYS A 46 -10.593 0.184 5.318 1.00 0.00 C ATOM 659 SG CYS A 46 -10.495 1.233 6.804 1.00 0.00 S ATOM 0 H CYS A 46 -12.042 -0.928 6.970 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.610 0.581 4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.958 -0.690 5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.189 0.736 4.469 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.496 0.848 7.541 1.00 0.00 H new ATOM 664 N SER A 47 -11.427 -2.442 4.036 1.00 0.00 N ATOM 665 CA SER A 47 -11.323 -3.457 2.994 1.00 0.00 C ATOM 666 C SER A 47 -12.531 -3.407 2.064 1.00 0.00 C ATOM 667 O SER A 47 -12.391 -3.473 0.843 1.00 0.00 O ATOM 668 CB SER A 47 -11.203 -4.849 3.619 1.00 0.00 C ATOM 669 OG SER A 47 -12.303 -5.122 4.470 1.00 0.00 O ATOM 0 H SER A 47 -11.055 -2.728 4.942 1.00 0.00 H new ATOM 0 HA SER A 47 -10.427 -3.251 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.152 -5.601 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.275 -4.918 4.186 1.00 0.00 H new ATOM 0 HG SER A 47 -12.583 -6.054 4.353 1.00 0.00 H new ATOM 675 N GLY A 48 -13.718 -3.290 2.651 1.00 0.00 N ATOM 676 CA GLY A 48 -14.934 -3.233 1.861 1.00 0.00 C ATOM 677 C GLY A 48 -15.051 -1.945 1.069 1.00 0.00 C ATOM 678 O GLY A 48 -15.495 -1.953 -0.079 1.00 0.00 O ATOM 0 H GLY A 48 -13.859 -3.234 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.959 -4.081 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.797 -3.330 2.520 1.00 0.00 H new ATOM 682 N SER A 49 -14.653 -0.836 1.683 1.00 0.00 N ATOM 683 CA SER A 49 -14.720 0.466 1.030 1.00 0.00 C ATOM 684 C SER A 49 -13.745 0.537 -0.141 1.00 0.00 C ATOM 685 O SER A 49 -14.123 0.891 -1.259 1.00 0.00 O ATOM 686 CB SER A 49 -14.413 1.580 2.033 1.00 0.00 C ATOM 687 OG SER A 49 -15.576 1.957 2.749 1.00 0.00 O ATOM 0 H SER A 49 -14.281 -0.813 2.632 1.00 0.00 H new ATOM 0 HA SER A 49 -15.731 0.601 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.646 1.244 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.009 2.445 1.508 1.00 0.00 H new ATOM 0 HG SER A 49 -15.353 2.669 3.384 1.00 0.00 H new ATOM 693 N LEU A 50 -12.488 0.200 0.123 1.00 0.00 N ATOM 694 CA LEU A 50 -11.456 0.225 -0.908 1.00 0.00 C ATOM 695 C LEU A 50 -11.983 -0.348 -2.220 1.00 0.00 C ATOM 696 O LEU A 50 -11.656 0.145 -3.299 1.00 0.00 O ATOM 697 CB LEU A 50 -10.229 -0.565 -0.449 1.00 0.00 C ATOM 698 CG LEU A 50 -9.165 0.228 0.310 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.273 -0.707 1.112 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.335 1.064 -0.653 1.00 0.00 C ATOM 0 H LEU A 50 -12.158 -0.094 1.042 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.170 1.263 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.566 -1.383 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.762 -1.014 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.668 0.901 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.522 -0.125 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.879 -1.262 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.778 -1.406 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.583 1.622 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.842 0.409 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.985 1.761 -1.183 1.00 0.00 H new ATOM 712 N ARG A 51 -12.802 -1.389 -2.118 1.00 0.00 N ATOM 713 CA ARG A 51 -13.375 -2.028 -3.296 1.00 0.00 C ATOM 714 C ARG A 51 -14.264 -1.055 -4.065 1.00 0.00 C ATOM 715 O ARG A 51 -14.236 -1.011 -5.294 1.00 0.00 O ATOM 716 CB ARG A 51 -14.184 -3.262 -2.890 1.00 0.00 C ATOM 717 CG ARG A 51 -13.351 -4.346 -2.227 1.00 0.00 C ATOM 718 CD ARG A 51 -14.093 -5.672 -2.185 1.00 0.00 C ATOM 719 NE ARG A 51 -14.350 -6.198 -3.523 1.00 0.00 N ATOM 720 CZ ARG A 51 -14.673 -7.463 -3.766 1.00 0.00 C ATOM 721 NH1 ARG A 51 -14.778 -8.328 -2.766 1.00 0.00 N ATOM 722 NH2 ARG A 51 -14.893 -7.866 -5.011 1.00 0.00 N ATOM 0 H ARG A 51 -13.084 -1.808 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.556 -2.336 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.977 -2.957 -2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.666 -3.677 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.414 -4.469 -2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.094 -4.040 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.509 -6.396 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.039 -5.542 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.277 -5.559 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.611 -8.022 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.026 -9.299 -2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.814 -7.204 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.141 -8.838 -5.196 1.00 0.00 H new ATOM 736 N GLY A 52 -15.052 -0.275 -3.331 1.00 0.00 N ATOM 737 CA GLY A 52 -15.938 0.687 -3.961 1.00 0.00 C ATOM 738 C GLY A 52 -15.205 1.617 -4.906 1.00 0.00 C ATOM 739 O GLY A 52 -15.766 2.066 -5.907 1.00 0.00 O ATOM 0 H GLY A 52 -15.093 -0.292 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.715 0.155 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.437 1.276 -3.191 1.00 0.00 H new ATOM 743 N LEU A 53 -13.948 1.910 -4.590 1.00 0.00 N ATOM 744 CA LEU A 53 -13.137 2.795 -5.419 1.00 0.00 C ATOM 745 C LEU A 53 -13.164 2.351 -6.878 1.00 0.00 C ATOM 746 O LEU A 53 -13.620 1.253 -7.195 1.00 0.00 O ATOM 747 CB LEU A 53 -11.695 2.823 -4.909 1.00 0.00 C ATOM 748 CG LEU A 53 -11.515 3.125 -3.421 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.071 2.896 -3.001 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.943 4.552 -3.111 1.00 0.00 C ATOM 0 H LEU A 53 -13.469 1.548 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.558 3.798 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.237 1.857 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.143 3.570 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.149 2.445 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.962 3.116 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.799 1.857 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.417 3.551 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.808 4.749 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.335 5.248 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.993 4.682 -3.374 1.00 0.00 H new ATOM 762 N ASN A 54 -12.672 3.213 -7.762 1.00 0.00 N ATOM 763 CA ASN A 54 -12.638 2.909 -9.188 1.00 0.00 C ATOM 764 C ASN A 54 -11.310 3.337 -9.805 1.00 0.00 C ATOM 765 O ASN A 54 -10.967 4.518 -9.843 1.00 0.00 O ATOM 766 CB ASN A 54 -13.795 3.606 -9.907 1.00 0.00 C ATOM 767 CG ASN A 54 -14.267 2.837 -11.126 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.687 1.814 -11.491 1.00 0.00 O ATOM 769 ND2 ASN A 54 -15.324 3.327 -11.762 1.00 0.00 N ATOM 0 H ASN A 54 -12.292 4.127 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.742 1.830 -9.306 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.627 3.730 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.481 4.605 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.687 2.853 -12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.773 4.178 -11.424 1.00 0.00 H new ATOM 776 N PRO A 55 -10.543 2.353 -10.299 1.00 0.00 N ATOM 777 CA PRO A 55 -10.940 0.943 -10.258 1.00 0.00 C ATOM 778 C PRO A 55 -10.924 0.377 -8.842 1.00 0.00 C ATOM 779 O PRO A 55 -10.267 0.905 -7.944 1.00 0.00 O ATOM 780 CB PRO A 55 -9.883 0.251 -11.123 1.00 0.00 C ATOM 781 CG PRO A 55 -8.692 1.143 -11.050 1.00 0.00 C ATOM 782 CD PRO A 55 -9.229 2.543 -10.936 1.00 0.00 C ATOM 0 HA PRO A 55 -11.961 0.797 -10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.655 -0.746 -10.747 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.227 0.133 -12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.069 0.893 -10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.069 1.035 -11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.578 3.175 -10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.321 3.019 -11.912 1.00 0.00 H new ATOM 790 N PRO A 56 -11.663 -0.723 -8.635 1.00 0.00 N ATOM 791 CA PRO A 56 -11.748 -1.385 -7.330 1.00 0.00 C ATOM 792 C PRO A 56 -10.443 -2.070 -6.941 1.00 0.00 C ATOM 793 O PRO A 56 -9.826 -2.761 -7.752 1.00 0.00 O ATOM 794 CB PRO A 56 -12.857 -2.422 -7.531 1.00 0.00 C ATOM 795 CG PRO A 56 -12.857 -2.698 -8.995 1.00 0.00 C ATOM 796 CD PRO A 56 -12.471 -1.406 -9.660 1.00 0.00 C ATOM 0 HA PRO A 56 -11.947 -0.677 -6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.661 -3.328 -6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.822 -2.038 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.151 -3.491 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.840 -3.031 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.900 -1.579 -10.572 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.347 -0.820 -9.938 1.00 0.00 H new ATOM 804 N HIS A 57 -10.026 -1.874 -5.694 1.00 0.00 N ATOM 805 CA HIS A 57 -8.793 -2.474 -5.196 1.00 0.00 C ATOM 806 C HIS A 57 -9.010 -3.940 -4.834 1.00 0.00 C ATOM 807 O HIS A 57 -10.099 -4.482 -5.025 1.00 0.00 O ATOM 808 CB HIS A 57 -8.283 -1.705 -3.977 1.00 0.00 C ATOM 809 CG HIS A 57 -7.736 -0.351 -4.309 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.783 0.284 -3.542 1.00 0.00 N ATOM 811 CD2 HIS A 57 -8.014 0.489 -5.333 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.498 1.457 -4.079 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.232 1.606 -5.167 1.00 0.00 N ATOM 0 H HIS A 57 -10.524 -1.304 -5.010 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.046 -2.421 -5.988 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.098 -1.593 -3.261 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.506 -2.291 -3.487 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.719 0.314 -6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.786 2.172 -3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.220 2.418 -5.784 1.00 0.00 H new ATOM 821 N ARG A 58 -7.967 -4.576 -4.310 1.00 0.00 N ATOM 822 CA ARG A 58 -8.044 -5.979 -3.923 1.00 0.00 C ATOM 823 C ARG A 58 -7.799 -6.144 -2.426 1.00 0.00 C ATOM 824 O ARG A 58 -6.826 -5.619 -1.884 1.00 0.00 O ATOM 825 CB ARG A 58 -7.025 -6.804 -4.712 1.00 0.00 C ATOM 826 CG ARG A 58 -7.091 -8.294 -4.421 1.00 0.00 C ATOM 827 CD ARG A 58 -8.484 -8.850 -4.676 1.00 0.00 C ATOM 828 NE ARG A 58 -8.552 -10.289 -4.436 1.00 0.00 N ATOM 829 CZ ARG A 58 -8.077 -11.198 -5.280 1.00 0.00 C ATOM 830 NH1 ARG A 58 -7.503 -10.819 -6.413 1.00 0.00 N ATOM 831 NH2 ARG A 58 -8.176 -12.489 -4.991 1.00 0.00 N ATOM 0 H ARG A 58 -7.059 -4.142 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.047 -6.339 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.187 -6.643 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.022 -6.442 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.368 -8.820 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.809 -8.476 -3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.201 -8.341 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.775 -8.640 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.988 -10.614 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.425 -9.827 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.139 -11.519 -7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.617 -12.784 -4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.811 -13.186 -5.640 1.00 0.00 H new ATOM 845 N VAL A 59 -8.688 -6.877 -1.763 1.00 0.00 N ATOM 846 CA VAL A 59 -8.568 -7.112 -0.329 1.00 0.00 C ATOM 847 C VAL A 59 -8.797 -8.582 0.008 1.00 0.00 C ATOM 848 O VAL A 59 -9.610 -9.256 -0.625 1.00 0.00 O ATOM 849 CB VAL A 59 -9.568 -6.252 0.466 1.00 0.00 C ATOM 850 CG1 VAL A 59 -9.020 -4.849 0.671 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.914 -6.210 -0.242 1.00 0.00 C ATOM 0 H VAL A 59 -9.499 -7.318 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.554 -6.831 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.713 -6.706 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.740 -4.256 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.082 -4.902 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.844 -4.382 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.609 -5.598 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.789 -5.780 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.310 -7.222 -0.331 1.00 0.00 H new ATOM 861 N LYS A 60 -8.076 -9.072 1.010 1.00 0.00 N ATOM 862 CA LYS A 60 -8.201 -10.462 1.434 1.00 0.00 C ATOM 863 C LYS A 60 -7.942 -10.599 2.931 1.00 0.00 C ATOM 864 O LYS A 60 -6.873 -10.237 3.422 1.00 0.00 O ATOM 865 CB LYS A 60 -7.224 -11.344 0.654 1.00 0.00 C ATOM 866 CG LYS A 60 -7.640 -11.587 -0.786 1.00 0.00 C ATOM 867 CD LYS A 60 -6.486 -12.121 -1.618 1.00 0.00 C ATOM 868 CE LYS A 60 -6.323 -13.623 -1.444 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.400 -13.955 -0.323 1.00 0.00 N ATOM 0 H LYS A 60 -7.399 -8.528 1.544 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.220 -10.789 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.239 -10.878 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.128 -12.303 1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.467 -12.297 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.004 -10.657 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.658 -11.892 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.564 -11.618 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.297 -14.075 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.942 -14.056 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.919 -14.855 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.693 -13.200 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.943 -14.043 0.560 1.00 0.00 H new ATOM 883 N SER A 61 -8.928 -11.124 3.652 1.00 0.00 N ATOM 884 CA SER A 61 -8.808 -11.306 5.094 1.00 0.00 C ATOM 885 C SER A 61 -7.457 -11.918 5.453 1.00 0.00 C ATOM 886 O SER A 61 -6.816 -12.564 4.623 1.00 0.00 O ATOM 887 CB SER A 61 -9.938 -12.197 5.612 1.00 0.00 C ATOM 888 OG SER A 61 -10.239 -11.903 6.966 1.00 0.00 O ATOM 0 H SER A 61 -9.819 -11.431 3.261 1.00 0.00 H new ATOM 0 HA SER A 61 -8.881 -10.327 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.828 -12.054 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.651 -13.244 5.519 1.00 0.00 H new ATOM 0 HG SER A 61 -9.723 -11.121 7.253 1.00 0.00 H new ATOM 894 N ILE A 62 -7.031 -11.710 6.694 1.00 0.00 N ATOM 895 CA ILE A 62 -5.758 -12.241 7.164 1.00 0.00 C ATOM 896 C ILE A 62 -5.935 -13.622 7.786 1.00 0.00 C ATOM 897 O ILE A 62 -5.161 -14.540 7.514 1.00 0.00 O ATOM 898 CB ILE A 62 -5.104 -11.305 8.197 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.827 -9.936 7.573 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.819 -11.920 8.731 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.426 -8.882 8.582 1.00 0.00 C ATOM 0 H ILE A 62 -7.549 -11.177 7.392 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.107 -12.318 6.293 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.793 -11.171 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.035 -10.037 6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.718 -9.600 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.369 -11.246 9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.043 -12.874 9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.123 -12.081 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.245 -7.937 8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.227 -8.752 9.310 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.517 -9.196 9.095 1.00 0.00 H new ATOM 913 N SER A 63 -6.959 -13.762 8.621 1.00 0.00 N ATOM 914 CA SER A 63 -7.237 -15.031 9.284 1.00 0.00 C ATOM 915 C SER A 63 -8.219 -15.867 8.468 1.00 0.00 C ATOM 916 O SER A 63 -7.973 -17.041 8.194 1.00 0.00 O ATOM 917 CB SER A 63 -7.800 -14.786 10.685 1.00 0.00 C ATOM 918 OG SER A 63 -7.600 -15.914 11.520 1.00 0.00 O ATOM 0 H SER A 63 -7.610 -13.013 8.855 1.00 0.00 H new ATOM 0 HA SER A 63 -6.300 -15.582 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.319 -13.913 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.865 -14.563 10.618 1.00 0.00 H new ATOM 0 HG SER A 63 -7.967 -15.731 12.410 1.00 0.00 H new ATOM 924 N MET A 64 -9.332 -15.252 8.083 1.00 0.00 N ATOM 925 CA MET A 64 -10.351 -15.938 7.297 1.00 0.00 C ATOM 926 C MET A 64 -9.765 -16.470 5.994 1.00 0.00 C ATOM 927 O MET A 64 -10.129 -17.554 5.534 1.00 0.00 O ATOM 928 CB MET A 64 -11.517 -14.993 6.998 1.00 0.00 C ATOM 929 CG MET A 64 -12.827 -15.713 6.723 1.00 0.00 C ATOM 930 SD MET A 64 -13.438 -16.617 8.159 1.00 0.00 S ATOM 931 CE MET A 64 -14.053 -15.272 9.169 1.00 0.00 C ATOM 0 H MET A 64 -9.551 -14.280 8.302 1.00 0.00 H new ATOM 0 HA MET A 64 -10.718 -16.782 7.881 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.653 -14.318 7.843 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.263 -14.377 6.136 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.577 -14.987 6.409 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.689 -16.407 5.894 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.561 -15.293 10.142 1.00 0.00 H new ATOM 0 HE2 MET A 64 -13.844 -14.322 8.677 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.129 -15.381 9.304 1.00 0.00 H new ATOM 941 N THR A 65 -8.857 -15.702 5.401 1.00 0.00 N ATOM 942 CA THR A 65 -8.222 -16.096 4.150 1.00 0.00 C ATOM 943 C THR A 65 -6.739 -16.383 4.352 1.00 0.00 C ATOM 944 O THR A 65 -6.037 -15.633 5.032 1.00 0.00 O ATOM 945 CB THR A 65 -8.380 -15.006 3.072 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.755 -14.625 2.959 1.00 0.00 O ATOM 947 CG2 THR A 65 -7.873 -15.499 1.725 1.00 0.00 C ATOM 0 H THR A 65 -8.545 -14.803 5.767 1.00 0.00 H new ATOM 0 HA THR A 65 -8.722 -17.004 3.814 1.00 0.00 H new ATOM 0 HB THR A 65 -7.787 -14.142 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.847 -13.931 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.995 -14.712 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.818 -15.761 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.442 -16.378 1.421 1.00 0.00 H new ATOM 955 N THR A 66 -6.265 -17.474 3.758 1.00 0.00 N ATOM 956 CA THR A 66 -4.865 -17.861 3.874 1.00 0.00 C ATOM 957 C THR A 66 -4.011 -17.155 2.826 1.00 0.00 C ATOM 958 O THR A 66 -4.534 -16.528 1.904 1.00 0.00 O ATOM 959 CB THR A 66 -4.688 -19.384 3.722 1.00 0.00 C ATOM 960 OG1 THR A 66 -3.325 -19.746 3.970 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.094 -19.840 2.329 1.00 0.00 C ATOM 0 H THR A 66 -6.831 -18.105 3.191 1.00 0.00 H new ATOM 0 HA THR A 66 -4.536 -17.562 4.869 1.00 0.00 H new ATOM 0 HB THR A 66 -5.332 -19.877 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.221 -20.716 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.960 -20.919 2.246 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.140 -19.590 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.473 -19.339 1.587 1.00 0.00 H new ATOM 969 N PHE A 67 -2.695 -17.262 2.973 1.00 0.00 N ATOM 970 CA PHE A 67 -1.768 -16.633 2.039 1.00 0.00 C ATOM 971 C PHE A 67 -0.661 -17.603 1.636 1.00 0.00 C ATOM 972 O PHE A 67 -0.409 -18.596 2.319 1.00 0.00 O ATOM 973 CB PHE A 67 -1.158 -15.375 2.661 1.00 0.00 C ATOM 974 CG PHE A 67 -2.168 -14.304 2.959 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.062 -13.886 1.987 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.224 -13.716 4.213 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.991 -12.900 2.258 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.152 -12.730 4.491 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.038 -12.322 3.512 1.00 0.00 C ATOM 0 H PHE A 67 -2.246 -17.778 3.730 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.326 -16.353 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.646 -15.647 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.404 -14.974 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.032 -14.336 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.534 -14.032 4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.680 -12.581 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.185 -12.279 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.765 -11.553 3.727 1.00 0.00 H new ATOM 989 N THR A 68 -0.002 -17.308 0.519 1.00 0.00 N ATOM 990 CA THR A 68 1.077 -18.153 0.023 1.00 0.00 C ATOM 991 C THR A 68 2.411 -17.415 0.053 1.00 0.00 C ATOM 992 O THR A 68 2.450 -16.187 0.124 1.00 0.00 O ATOM 993 CB THR A 68 0.800 -18.631 -1.415 1.00 0.00 C ATOM 994 OG1 THR A 68 1.950 -19.307 -1.936 1.00 0.00 O ATOM 995 CG2 THR A 68 0.443 -17.458 -2.316 1.00 0.00 C ATOM 0 H THR A 68 -0.197 -16.490 -0.059 1.00 0.00 H new ATOM 0 HA THR A 68 1.129 -19.019 0.682 1.00 0.00 H new ATOM 0 HB THR A 68 -0.045 -19.319 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.766 -19.609 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.252 -17.820 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.449 -16.963 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.271 -16.749 -2.335 1.00 0.00 H new ATOM 1003 N GLN A 69 3.502 -18.173 -0.002 1.00 0.00 N ATOM 1004 CA GLN A 69 4.838 -17.590 0.019 1.00 0.00 C ATOM 1005 C GLN A 69 4.896 -16.331 -0.840 1.00 0.00 C ATOM 1006 O GLN A 69 5.456 -15.314 -0.430 1.00 0.00 O ATOM 1007 CB GLN A 69 5.869 -18.606 -0.474 1.00 0.00 C ATOM 1008 CG GLN A 69 7.292 -18.071 -0.490 1.00 0.00 C ATOM 1009 CD GLN A 69 7.990 -18.230 0.847 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.690 -19.147 1.612 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.928 -17.336 1.135 1.00 0.00 N ATOM 0 H GLN A 69 3.487 -19.191 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 69 5.071 -17.317 1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.829 -19.490 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.599 -18.926 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.863 -18.592 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.277 -17.016 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.145 -16.592 0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.432 -17.393 2.020 1.00 0.00 H new ATOM 1020 N GLN A 70 4.316 -16.408 -2.033 1.00 0.00 N ATOM 1021 CA GLN A 70 4.303 -15.274 -2.950 1.00 0.00 C ATOM 1022 C GLN A 70 3.710 -14.039 -2.281 1.00 0.00 C ATOM 1023 O GLN A 70 4.384 -13.020 -2.129 1.00 0.00 O ATOM 1024 CB GLN A 70 3.506 -15.619 -4.209 1.00 0.00 C ATOM 1025 CG GLN A 70 4.089 -16.779 -5.000 1.00 0.00 C ATOM 1026 CD GLN A 70 5.567 -16.605 -5.288 1.00 0.00 C ATOM 1027 OE1 GLN A 70 6.398 -16.653 -4.380 1.00 0.00 O ATOM 1028 NE2 GLN A 70 5.903 -16.401 -6.556 1.00 0.00 N ATOM 0 H GLN A 70 3.849 -17.243 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 70 5.333 -15.053 -3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.482 -15.862 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.459 -14.740 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.938 -17.705 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.549 -16.880 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.181 -16.369 -7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.883 -16.277 -6.810 1.00 0.00 H new ATOM 1037 N GLU A 71 2.445 -14.137 -1.883 1.00 0.00 N ATOM 1038 CA GLU A 71 1.762 -13.026 -1.231 1.00 0.00 C ATOM 1039 C GLU A 71 2.569 -12.515 -0.040 1.00 0.00 C ATOM 1040 O GLU A 71 2.962 -11.348 0.001 1.00 0.00 O ATOM 1041 CB GLU A 71 0.368 -13.456 -0.769 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.524 -13.942 -1.899 1.00 0.00 C ATOM 1043 CD GLU A 71 -0.554 -12.983 -3.073 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -0.287 -11.781 -2.864 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -0.843 -13.434 -4.201 1.00 0.00 O ATOM 0 H GLU A 71 1.873 -14.974 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 71 1.664 -12.218 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.468 -14.250 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.116 -12.616 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.174 -14.916 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.537 -14.081 -1.523 1.00 0.00 H new ATOM 1052 N ILE A 72 2.810 -13.395 0.925 1.00 0.00 N ATOM 1053 CA ILE A 72 3.569 -13.033 2.116 1.00 0.00 C ATOM 1054 C ILE A 72 4.719 -12.094 1.770 1.00 0.00 C ATOM 1055 O ILE A 72 4.780 -10.966 2.258 1.00 0.00 O ATOM 1056 CB ILE A 72 4.134 -14.279 2.823 1.00 0.00 C ATOM 1057 CG1 ILE A 72 3.003 -15.243 3.187 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.913 -13.875 4.066 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.988 -14.651 4.140 1.00 0.00 C ATOM 0 H ILE A 72 2.491 -14.364 0.906 1.00 0.00 H new ATOM 0 HA ILE A 72 2.878 -12.525 2.789 1.00 0.00 H new ATOM 0 HB ILE A 72 4.815 -14.788 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.494 -15.555 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.431 -16.140 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.306 -14.766 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.739 -13.223 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.253 -13.346 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.216 -15.390 4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.484 -14.365 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.532 -13.771 3.686 1.00 0.00 H new ATOM 1071 N GLU A 73 5.628 -12.566 0.922 1.00 0.00 N ATOM 1072 CA GLU A 73 6.776 -11.767 0.510 1.00 0.00 C ATOM 1073 C GLU A 73 6.325 -10.458 -0.133 1.00 0.00 C ATOM 1074 O GLU A 73 6.886 -9.396 0.136 1.00 0.00 O ATOM 1075 CB GLU A 73 7.648 -12.555 -0.470 1.00 0.00 C ATOM 1076 CG GLU A 73 8.226 -13.830 0.120 1.00 0.00 C ATOM 1077 CD GLU A 73 9.480 -14.289 -0.598 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.524 -13.618 -0.455 1.00 0.00 O ATOM 1079 OE2 GLU A 73 9.419 -15.319 -1.301 1.00 0.00 O ATOM 0 H GLU A 73 5.591 -13.497 0.507 1.00 0.00 H new ATOM 0 HA GLU A 73 7.361 -11.533 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.055 -12.808 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.465 -11.918 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.454 -13.668 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.476 -14.620 0.074 1.00 0.00 H new ATOM 1086 N PHE A 74 5.308 -10.544 -0.984 1.00 0.00 N ATOM 1087 CA PHE A 74 4.782 -9.367 -1.667 1.00 0.00 C ATOM 1088 C PHE A 74 4.365 -8.297 -0.663 1.00 0.00 C ATOM 1089 O PHE A 74 4.690 -7.119 -0.823 1.00 0.00 O ATOM 1090 CB PHE A 74 3.589 -9.752 -2.545 1.00 0.00 C ATOM 1091 CG PHE A 74 2.791 -8.572 -3.022 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.308 -7.707 -3.972 1.00 0.00 C ATOM 1093 CD2 PHE A 74 1.523 -8.329 -2.519 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.576 -6.621 -4.413 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.786 -7.244 -2.956 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.313 -6.389 -3.904 1.00 0.00 C ATOM 0 H PHE A 74 4.832 -11.415 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 74 5.572 -8.960 -2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.949 -10.310 -3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.935 -10.420 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.295 -7.883 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.106 -8.994 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.991 -5.955 -5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.201 -7.065 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.739 -5.541 -4.247 1.00 0.00 H new ATOM 1106 N LEU A 75 3.643 -8.713 0.371 1.00 0.00 N ATOM 1107 CA LEU A 75 3.180 -7.791 1.402 1.00 0.00 C ATOM 1108 C LEU A 75 4.358 -7.163 2.140 1.00 0.00 C ATOM 1109 O LEU A 75 4.498 -5.941 2.177 1.00 0.00 O ATOM 1110 CB LEU A 75 2.271 -8.519 2.394 1.00 0.00 C ATOM 1111 CG LEU A 75 0.781 -8.538 2.051 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.053 -9.573 2.893 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.170 -7.158 2.252 1.00 0.00 C ATOM 0 H LEU A 75 3.365 -9.683 0.518 1.00 0.00 H new ATOM 0 HA LEU A 75 2.614 -6.996 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.616 -9.549 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.392 -8.056 3.374 1.00 0.00 H new ATOM 0 HG LEU A 75 0.672 -8.812 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.006 -9.572 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.473 -10.560 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.169 -9.330 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.891 -7.190 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.290 -6.855 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.673 -6.440 1.605 1.00 0.00 H new ATOM 1125 N GLN A 76 5.203 -8.007 2.722 1.00 0.00 N ATOM 1126 CA GLN A 76 6.370 -7.534 3.457 1.00 0.00 C ATOM 1127 C GLN A 76 7.227 -6.620 2.588 1.00 0.00 C ATOM 1128 O GLN A 76 7.723 -5.592 3.050 1.00 0.00 O ATOM 1129 CB GLN A 76 7.204 -8.718 3.949 1.00 0.00 C ATOM 1130 CG GLN A 76 6.424 -9.691 4.819 1.00 0.00 C ATOM 1131 CD GLN A 76 7.321 -10.687 5.529 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.522 -11.846 4.913 1.00 0.00 O flip ATOM 1133 NE2 GLN A 76 7.827 -10.418 6.618 1.00 0.00 N flip ATOM 0 H GLN A 76 5.102 -9.022 2.699 1.00 0.00 H new ATOM 0 HA GLN A 76 6.019 -6.964 4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.603 -9.253 3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.057 -8.341 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.851 -9.132 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.706 -10.230 4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.645 -9.515 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.428 -11.098 7.083 1.00 0.00 H new ATOM 1142 N LYS A 77 7.397 -7.001 1.326 1.00 0.00 N ATOM 1143 CA LYS A 77 8.193 -6.216 0.391 1.00 0.00 C ATOM 1144 C LYS A 77 7.706 -4.771 0.340 1.00 0.00 C ATOM 1145 O LYS A 77 8.478 -3.855 0.052 1.00 0.00 O ATOM 1146 CB LYS A 77 8.132 -6.834 -1.008 1.00 0.00 C ATOM 1147 CG LYS A 77 8.993 -8.076 -1.162 1.00 0.00 C ATOM 1148 CD LYS A 77 10.426 -7.720 -1.522 1.00 0.00 C ATOM 1149 CE LYS A 77 11.102 -8.843 -2.294 1.00 0.00 C ATOM 1150 NZ LYS A 77 12.374 -8.394 -2.926 1.00 0.00 N ATOM 0 H LYS A 77 6.994 -7.849 0.928 1.00 0.00 H new ATOM 0 HA LYS A 77 9.226 -6.221 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.098 -7.088 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.448 -6.090 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.981 -8.646 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.572 -8.718 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.436 -6.809 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.990 -7.511 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.305 -9.676 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.425 -9.213 -3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.804 -9.188 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.177 -7.616 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.030 -8.064 -2.190 1.00 0.00 H new ATOM 1164 N HIS A 78 6.423 -4.574 0.624 1.00 0.00 N ATOM 1165 CA HIS A 78 5.834 -3.239 0.613 1.00 0.00 C ATOM 1166 C HIS A 78 5.490 -2.786 2.028 1.00 0.00 C ATOM 1167 O HIS A 78 6.186 -1.956 2.612 1.00 0.00 O ATOM 1168 CB HIS A 78 4.579 -3.220 -0.261 1.00 0.00 C ATOM 1169 CG HIS A 78 4.868 -3.055 -1.721 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.080 -4.120 -2.571 1.00 0.00 N ATOM 1171 CD2 HIS A 78 4.978 -1.941 -2.482 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.310 -3.668 -3.791 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.253 -2.349 -3.764 1.00 0.00 N ATOM 0 H HIS A 78 5.771 -5.321 0.864 1.00 0.00 H new ATOM 0 HA HIS A 78 6.567 -2.548 0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.028 -4.148 -0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.930 -2.408 0.067 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.870 -0.921 -2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.511 -4.274 -4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.391 -1.733 -4.565 1.00 0.00 H new ATOM 1181 N GLY A 79 4.409 -3.336 2.575 1.00 0.00 N ATOM 1182 CA GLY A 79 3.991 -2.974 3.917 1.00 0.00 C ATOM 1183 C GLY A 79 3.759 -1.485 4.070 1.00 0.00 C ATOM 1184 O GLY A 79 4.276 -0.685 3.291 1.00 0.00 O ATOM 0 H GLY A 79 3.816 -4.025 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.074 -3.509 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.750 -3.295 4.630 1.00 0.00 H new ATOM 1188 N ASN A 80 2.977 -1.110 5.078 1.00 0.00 N ATOM 1189 CA ASN A 80 2.676 0.295 5.330 1.00 0.00 C ATOM 1190 C ASN A 80 3.955 1.092 5.566 1.00 0.00 C ATOM 1191 O ASN A 80 3.961 2.318 5.463 1.00 0.00 O ATOM 1192 CB ASN A 80 1.747 0.429 6.538 1.00 0.00 C ATOM 1193 CG ASN A 80 0.451 -0.337 6.360 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.175 -0.870 5.285 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.352 -0.395 7.416 1.00 0.00 N ATOM 0 H ASN A 80 2.541 -1.759 5.733 1.00 0.00 H new ATOM 0 HA ASN A 80 2.176 0.698 4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.260 0.067 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.523 1.483 6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.238 -0.896 7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.083 0.062 8.287 1.00 0.00 H new ATOM 1202 N GLU A 81 5.036 0.386 5.882 1.00 0.00 N ATOM 1203 CA GLU A 81 6.321 1.029 6.133 1.00 0.00 C ATOM 1204 C GLU A 81 6.637 2.053 5.047 1.00 0.00 C ATOM 1205 O GLU A 81 6.721 3.252 5.314 1.00 0.00 O ATOM 1206 CB GLU A 81 7.435 -0.018 6.202 1.00 0.00 C ATOM 1207 CG GLU A 81 8.811 0.574 6.454 1.00 0.00 C ATOM 1208 CD GLU A 81 9.739 -0.389 7.169 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.206 -1.351 6.524 1.00 0.00 O ATOM 1210 OE2 GLU A 81 9.997 -0.181 8.373 1.00 0.00 O ATOM 0 H GLU A 81 5.048 -0.630 5.970 1.00 0.00 H new ATOM 0 HA GLU A 81 6.259 1.547 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.204 -0.730 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.455 -0.577 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.257 0.864 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.708 1.482 7.048 1.00 0.00 H new ATOM 1217 N VAL A 82 6.813 1.572 3.821 1.00 0.00 N ATOM 1218 CA VAL A 82 7.121 2.444 2.694 1.00 0.00 C ATOM 1219 C VAL A 82 5.849 2.883 1.975 1.00 0.00 C ATOM 1220 O VAL A 82 5.740 4.024 1.526 1.00 0.00 O ATOM 1221 CB VAL A 82 8.054 1.750 1.684 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.397 1.437 2.326 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.406 0.485 1.142 1.00 0.00 C ATOM 0 H VAL A 82 6.748 0.582 3.583 1.00 0.00 H new ATOM 0 HA VAL A 82 7.626 3.320 3.101 1.00 0.00 H new ATOM 0 HB VAL A 82 8.226 2.429 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.043 0.947 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.865 2.363 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.247 0.777 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.079 0.008 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.202 -0.201 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.471 0.740 0.643 1.00 0.00 H new ATOM 1233 N CYS A 83 4.891 1.969 1.872 1.00 0.00 N ATOM 1234 CA CYS A 83 3.625 2.261 1.207 1.00 0.00 C ATOM 1235 C CYS A 83 3.100 3.633 1.616 1.00 0.00 C ATOM 1236 O CYS A 83 3.056 4.560 0.806 1.00 0.00 O ATOM 1237 CB CYS A 83 2.590 1.186 1.541 1.00 0.00 C ATOM 1238 SG CYS A 83 2.585 -0.214 0.396 1.00 0.00 S ATOM 0 H CYS A 83 4.966 1.021 2.240 1.00 0.00 H new ATOM 0 HA CYS A 83 3.801 2.265 0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.778 0.817 2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.599 1.640 1.547 1.00 0.00 H new ATOM 0 HG CYS A 83 1.458 -0.854 0.498 1.00 0.00 H new ATOM 1244 N LYS A 84 2.702 3.757 2.878 1.00 0.00 N ATOM 1245 CA LYS A 84 2.179 5.015 3.396 1.00 0.00 C ATOM 1246 C LYS A 84 2.983 6.198 2.865 1.00 0.00 C ATOM 1247 O LYS A 84 2.474 7.008 2.091 1.00 0.00 O ATOM 1248 CB LYS A 84 2.207 5.012 4.926 1.00 0.00 C ATOM 1249 CG LYS A 84 1.466 6.181 5.551 1.00 0.00 C ATOM 1250 CD LYS A 84 0.883 5.813 6.904 1.00 0.00 C ATOM 1251 CE LYS A 84 1.971 5.655 7.956 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.402 5.443 9.315 1.00 0.00 N ATOM 0 H LYS A 84 2.732 3.000 3.561 1.00 0.00 H new ATOM 0 HA LYS A 84 1.148 5.117 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.770 4.081 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.244 5.029 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.146 7.025 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.666 6.504 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.179 6.583 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.321 4.883 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.610 4.811 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.603 6.543 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.175 5.340 10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.813 6.259 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.820 4.581 9.317 1.00 0.00 H new ATOM 1266 N GLN A 85 4.241 6.289 3.286 1.00 0.00 N ATOM 1267 CA GLN A 85 5.114 7.373 2.851 1.00 0.00 C ATOM 1268 C GLN A 85 4.979 7.613 1.351 1.00 0.00 C ATOM 1269 O GLN A 85 4.776 8.745 0.910 1.00 0.00 O ATOM 1270 CB GLN A 85 6.569 7.054 3.200 1.00 0.00 C ATOM 1271 CG GLN A 85 6.955 7.445 4.617 1.00 0.00 C ATOM 1272 CD GLN A 85 8.415 7.173 4.921 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.297 7.932 4.516 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.679 6.087 5.637 1.00 0.00 N ATOM 0 H GLN A 85 4.678 5.626 3.927 1.00 0.00 H new ATOM 0 HA GLN A 85 4.812 8.281 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.740 5.986 3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.224 7.571 2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.748 8.505 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.332 6.896 5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.917 5.486 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.644 5.853 5.872 1.00 0.00 H new ATOM 1283 N ILE A 86 5.093 6.542 0.573 1.00 0.00 N ATOM 1284 CA ILE A 86 4.983 6.637 -0.877 1.00 0.00 C ATOM 1285 C ILE A 86 3.706 7.365 -1.285 1.00 0.00 C ATOM 1286 O ILE A 86 3.657 8.016 -2.329 1.00 0.00 O ATOM 1287 CB ILE A 86 4.999 5.245 -1.535 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.414 4.663 -1.514 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.476 5.327 -2.962 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.460 3.175 -1.781 1.00 0.00 C ATOM 0 H ILE A 86 5.261 5.599 0.923 1.00 0.00 H new ATOM 0 HA ILE A 86 5.848 7.203 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 86 4.345 4.584 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.020 5.177 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.866 4.864 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.494 4.335 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.453 5.704 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.106 6.001 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.494 2.832 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.881 2.651 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.038 2.969 -2.765 1.00 0.00 H new ATOM 1302 N TRP A 87 2.676 7.251 -0.454 1.00 0.00 N ATOM 1303 CA TRP A 87 1.399 7.900 -0.728 1.00 0.00 C ATOM 1304 C TRP A 87 1.327 9.266 -0.055 1.00 0.00 C ATOM 1305 O TRP A 87 0.470 10.087 -0.384 1.00 0.00 O ATOM 1306 CB TRP A 87 0.243 7.020 -0.247 1.00 0.00 C ATOM 1307 CG TRP A 87 0.184 5.690 -0.935 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.524 4.478 -0.405 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.239 5.438 -2.279 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.338 3.487 -1.340 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.130 4.050 -2.497 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.701 6.249 -3.319 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.466 3.460 -3.713 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.033 5.661 -4.525 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.915 4.278 -4.714 1.00 0.00 C ATOM 0 H TRP A 87 2.700 6.716 0.414 1.00 0.00 H new ATOM 0 HA TRP A 87 1.316 8.042 -1.806 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.339 6.862 0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.697 7.547 -0.409 1.00 0.00 H new ATOM 0 HD1 TRP A 87 0.886 4.321 0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.519 2.494 -1.195 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.797 7.316 -3.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.375 2.394 -3.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.390 6.279 -5.336 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.184 3.849 -5.668 1.00 0.00 H new ATOM 1326 N LEU A 88 2.232 9.505 0.888 1.00 0.00 N ATOM 1327 CA LEU A 88 2.272 10.773 1.607 1.00 0.00 C ATOM 1328 C LEU A 88 3.516 11.572 1.233 1.00 0.00 C ATOM 1329 O LEU A 88 3.996 12.394 2.013 1.00 0.00 O ATOM 1330 CB LEU A 88 2.244 10.527 3.117 1.00 0.00 C ATOM 1331 CG LEU A 88 1.307 9.420 3.599 1.00 0.00 C ATOM 1332 CD1 LEU A 88 0.969 9.609 5.069 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.039 9.390 2.758 1.00 0.00 C ATOM 0 H LEU A 88 2.948 8.837 1.172 1.00 0.00 H new ATOM 0 HA LEU A 88 1.393 11.351 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.256 10.288 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.960 11.456 3.611 1.00 0.00 H new ATOM 0 HG LEU A 88 1.817 8.464 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.301 8.811 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.885 9.579 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.479 10.572 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.616 8.596 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.474 10.348 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.298 9.205 1.716 1.00 0.00 H new ATOM 1345 N GLY A 89 4.033 11.326 0.033 1.00 0.00 N ATOM 1346 CA GLY A 89 5.216 12.032 -0.424 1.00 0.00 C ATOM 1347 C GLY A 89 5.112 13.531 -0.218 1.00 0.00 C ATOM 1348 O GLY A 89 6.021 14.154 0.333 1.00 0.00 O ATOM 0 H GLY A 89 3.654 10.651 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.089 11.655 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.374 11.824 -1.482 1.00 0.00 H new ATOM 1352 N LEU A 90 4.004 14.112 -0.664 1.00 0.00 N ATOM 1353 CA LEU A 90 3.785 15.548 -0.528 1.00 0.00 C ATOM 1354 C LEU A 90 3.105 15.871 0.799 1.00 0.00 C ATOM 1355 O LEU A 90 3.374 16.906 1.410 1.00 0.00 O ATOM 1356 CB LEU A 90 2.936 16.067 -1.689 1.00 0.00 C ATOM 1357 CG LEU A 90 3.660 16.238 -3.025 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.673 16.603 -4.124 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.748 17.295 -2.911 1.00 0.00 C ATOM 0 H LEU A 90 3.243 13.611 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 90 4.756 16.042 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.100 15.383 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.513 17.030 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 90 4.129 15.289 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.206 16.721 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.930 15.812 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.175 17.539 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.252 17.403 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.301 18.248 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.471 16.993 -2.153 1.00 0.00 H new ATOM 1371 N PHE A 91 2.224 14.979 1.239 1.00 0.00 N ATOM 1372 CA PHE A 91 1.506 15.169 2.494 1.00 0.00 C ATOM 1373 C PHE A 91 2.479 15.332 3.658 1.00 0.00 C ATOM 1374 O PHE A 91 3.317 14.465 3.907 1.00 0.00 O ATOM 1375 CB PHE A 91 0.573 13.985 2.757 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.135 14.062 4.079 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.555 13.856 5.263 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.491 14.341 4.138 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.095 13.926 6.480 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.147 14.412 5.353 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.447 14.205 6.526 1.00 0.00 C ATOM 0 H PHE A 91 1.990 14.118 0.745 1.00 0.00 H new ATOM 0 HA PHE A 91 0.912 16.079 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.168 13.933 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.151 13.062 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.612 13.638 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.042 14.505 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.454 13.763 7.396 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.205 14.629 5.385 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.956 14.261 7.477 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.581 12.972 9.109 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.025 12.921 9.359 1.00 0.00 C ATOM 1492 C PRO A 99 -9.392 11.897 10.427 1.00 0.00 C ATOM 1493 O PRO A 99 -8.570 11.064 10.811 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.606 12.512 8.003 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.501 11.779 7.323 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.226 12.429 7.787 1.00 0.00 C ATOM 0 HA PRO A 99 -9.408 13.871 9.733 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.485 11.879 8.124 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.917 13.383 7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.517 10.721 7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.599 11.842 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.410 11.710 7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.904 13.214 7.103 1.00 0.00 H new ATOM 1504 N ASP A 100 -10.631 11.964 10.903 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.108 11.040 11.926 1.00 0.00 C ATOM 1506 C ASP A 100 -11.267 9.634 11.357 1.00 0.00 C ATOM 1507 O ASP A 100 -11.328 9.448 10.142 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.439 11.526 12.500 1.00 0.00 C ATOM 1509 CG ASP A 100 -12.411 12.997 12.866 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -12.384 13.837 11.942 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -12.416 13.308 14.075 1.00 0.00 O ATOM 0 H ASP A 100 -11.323 12.648 10.597 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.367 11.006 12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.231 11.351 11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.685 10.939 13.385 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.332 8.646 12.244 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.482 7.256 11.831 1.00 0.00 C ATOM 1518 C PHE A 101 -12.818 6.689 12.304 1.00 0.00 C ATOM 1519 O PHE A 101 -12.924 5.504 12.618 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.332 6.411 12.382 1.00 0.00 C ATOM 1521 CG PHE A 101 -8.982 7.039 12.191 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.557 7.430 10.932 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.137 7.238 13.271 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.314 8.009 10.753 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -6.893 7.817 13.098 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.481 8.202 11.837 1.00 0.00 C ATOM 0 H PHE A 101 -11.283 8.783 13.254 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.459 7.222 10.742 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.496 6.238 13.446 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.342 5.436 11.895 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.204 7.281 10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.453 6.938 14.259 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.995 8.310 9.766 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.244 7.968 13.948 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.509 8.653 11.699 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.833 7.545 12.352 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.161 7.130 12.789 1.00 0.00 C ATOM 1538 C ARG A 102 -16.180 7.299 11.665 1.00 0.00 C ATOM 1539 O ARG A 102 -17.092 6.486 11.513 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.596 7.941 14.011 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.636 7.833 15.185 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.314 8.205 16.495 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.414 8.065 17.636 1.00 0.00 N ATOM 1544 CZ ARG A 102 -13.427 8.914 17.903 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -13.216 9.959 17.115 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -12.651 8.719 18.961 1.00 0.00 N ATOM 0 H ARG A 102 -13.762 8.529 12.094 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.114 6.075 13.059 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.692 8.989 13.726 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.583 7.605 14.327 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.251 6.815 15.249 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.780 8.487 15.018 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.671 9.233 16.439 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.189 7.571 16.643 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.550 7.272 18.263 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.812 10.113 16.302 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.458 10.609 17.322 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.812 7.917 19.570 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.894 9.371 19.165 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.018 8.360 10.882 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.923 8.636 9.772 1.00 0.00 C ATOM 1562 C ASP A 103 -16.334 8.142 8.455 1.00 0.00 C ATOM 1563 O ASP A 103 -15.218 8.498 8.073 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.215 10.135 9.684 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.404 10.543 10.532 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.552 10.333 10.086 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.187 11.073 11.642 1.00 0.00 O ATOM 0 H ASP A 103 -15.269 9.043 10.995 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.856 8.102 9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.335 10.693 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.403 10.405 8.645 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.098 7.302 7.742 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.672 6.740 6.456 1.00 0.00 C ATOM 1574 C PRO A 104 -16.625 7.791 5.352 1.00 0.00 C ATOM 1575 O PRO A 104 -15.994 7.586 4.315 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.746 5.693 6.153 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.951 6.160 6.893 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.438 6.835 8.135 1.00 0.00 C ATOM 0 HA PRO A 104 -15.662 6.332 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.941 5.624 5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.437 4.702 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.538 6.851 6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.603 5.324 7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.080 7.663 8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.392 6.145 8.977 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.297 8.914 5.582 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.332 9.996 4.605 1.00 0.00 C ATOM 1588 C GLN A 105 -15.993 10.725 4.552 1.00 0.00 C ATOM 1589 O GLN A 105 -15.436 10.946 3.476 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.450 10.983 4.945 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.828 10.518 4.503 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.841 11.645 4.467 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.152 12.249 5.494 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -21.362 11.935 3.280 1.00 0.00 N ATOM 0 H GLN A 105 -17.824 9.099 6.435 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.527 9.560 3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.460 11.150 6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.232 11.942 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -19.755 10.068 3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.180 9.740 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -21.075 11.408 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -22.049 12.684 3.194 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.481 11.097 5.720 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.207 11.801 5.808 1.00 0.00 C ATOM 1605 C LYS A 106 -13.055 10.896 5.382 1.00 0.00 C ATOM 1606 O LYS A 106 -12.168 11.313 4.637 1.00 0.00 O ATOM 1607 CB LYS A 106 -13.975 12.301 7.236 1.00 0.00 C ATOM 1608 CG LYS A 106 -14.930 13.405 7.656 1.00 0.00 C ATOM 1609 CD LYS A 106 -14.418 14.774 7.241 1.00 0.00 C ATOM 1610 CE LYS A 106 -13.295 15.248 8.150 1.00 0.00 C ATOM 1611 NZ LYS A 106 -13.770 15.483 9.542 1.00 0.00 N ATOM 0 H LYS A 106 -15.929 10.923 6.620 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.245 12.655 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.075 11.463 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.951 12.665 7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.908 13.231 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.065 13.379 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.062 14.734 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.237 15.493 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.497 14.505 8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.869 16.169 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.547 16.459 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.799 15.336 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.297 14.819 10.187 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.076 9.655 5.858 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.035 8.690 5.524 1.00 0.00 C ATOM 1627 C VAL A 107 -12.035 8.376 4.032 1.00 0.00 C ATOM 1628 O VAL A 107 -10.984 8.350 3.391 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.210 7.380 6.313 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.177 6.352 5.878 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.116 7.642 7.809 1.00 0.00 C ATOM 0 H VAL A 107 -13.803 9.294 6.476 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.083 9.145 5.797 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.200 6.978 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.317 5.433 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.297 6.143 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.176 6.743 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.242 6.705 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.141 8.068 8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.898 8.341 8.106 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.222 8.138 3.483 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.361 7.827 2.066 1.00 0.00 C ATOM 1643 C LYS A 108 -12.732 8.918 1.205 1.00 0.00 C ATOM 1644 O LYS A 108 -11.829 8.652 0.413 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.839 7.663 1.701 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.096 7.626 0.205 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.439 6.992 -0.115 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.304 5.499 -0.369 1.00 0.00 C ATOM 1649 NZ LYS A 108 -16.496 4.704 0.876 1.00 0.00 N ATOM 0 H LYS A 108 -14.102 8.155 3.999 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.839 6.890 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.215 6.743 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.406 8.485 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.067 8.639 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.302 7.066 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.128 7.160 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.870 7.474 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.037 5.190 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -15.319 5.289 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.717 3.718 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.625 4.731 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.281 5.106 1.427 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.215 10.146 1.367 1.00 0.00 N ATOM 1664 CA GLU A 109 -12.699 11.276 0.605 1.00 0.00 C ATOM 1665 C GLU A 109 -11.174 11.311 0.648 1.00 0.00 C ATOM 1666 O GLU A 109 -10.518 11.568 -0.362 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.265 12.589 1.150 1.00 0.00 C ATOM 1668 CG GLU A 109 -12.984 12.807 2.627 1.00 0.00 C ATOM 1669 CD GLU A 109 -13.258 14.231 3.069 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -14.445 14.597 3.193 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -12.283 14.980 3.292 1.00 0.00 O ATOM 0 H GLU A 109 -13.963 10.383 2.019 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.014 11.155 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.845 13.419 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.343 12.605 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.598 12.124 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.943 12.560 2.835 1.00 0.00 H new ATOM 1678 N PHE A 110 -10.615 11.050 1.826 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.168 11.052 2.003 1.00 0.00 C ATOM 1680 C PHE A 110 -8.522 9.916 1.215 1.00 0.00 C ATOM 1681 O PHE A 110 -7.623 10.141 0.403 1.00 0.00 O ATOM 1682 CB PHE A 110 -8.814 10.925 3.486 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.343 10.758 3.739 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -6.693 9.588 3.380 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -6.610 11.771 4.336 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.339 9.432 3.611 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.256 11.620 4.569 1.00 0.00 C ATOM 1688 CZ PHE A 110 -4.620 10.449 4.207 1.00 0.00 C ATOM 0 H PHE A 110 -11.143 10.835 2.672 1.00 0.00 H new ATOM 0 HA PHE A 110 -8.782 11.998 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.167 11.812 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.346 10.072 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.251 8.789 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.102 12.689 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.844 8.516 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.696 12.418 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.562 10.329 4.390 1.00 0.00 H new ATOM 1698 N LEU A 111 -8.986 8.696 1.459 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.454 7.523 0.774 1.00 0.00 C ATOM 1700 C LEU A 111 -8.476 7.720 -0.739 1.00 0.00 C ATOM 1701 O LEU A 111 -7.493 7.441 -1.424 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.260 6.279 1.150 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.786 5.521 2.390 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.696 4.337 2.673 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.346 5.059 2.215 1.00 0.00 C ATOM 0 H LEU A 111 -9.730 8.493 2.126 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.420 7.386 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.297 6.576 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.248 5.593 0.303 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.829 6.198 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.342 3.810 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.712 4.692 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.687 3.659 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.025 4.521 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.278 4.399 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.702 5.925 2.062 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.603 8.204 -1.250 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.752 8.439 -2.682 1.00 0.00 C ATOM 1719 C GLN A 112 -8.750 9.480 -3.170 1.00 0.00 C ATOM 1720 O GLN A 112 -8.124 9.309 -4.215 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.177 8.898 -2.999 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.241 7.878 -2.628 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.640 8.336 -2.991 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -14.133 9.337 -2.470 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.289 7.603 -3.889 1.00 0.00 N ATOM 0 H GLN A 112 -10.425 8.441 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.556 7.501 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.377 9.829 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.251 9.117 -4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.028 6.936 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.193 7.682 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.842 6.781 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.234 7.862 -4.172 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.604 10.558 -2.405 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.678 11.627 -2.762 1.00 0.00 C ATOM 1736 C GLU A 113 -6.241 11.116 -2.785 1.00 0.00 C ATOM 1737 O GLU A 113 -5.338 11.790 -3.281 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.802 12.789 -1.774 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.091 13.580 -1.923 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.034 14.580 -3.061 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -7.939 15.120 -3.322 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.085 14.823 -3.690 1.00 0.00 O ATOM 0 H GLU A 113 -9.114 10.714 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.936 11.979 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.740 12.399 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.955 13.462 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.918 12.891 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.299 14.107 -0.992 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.036 9.919 -2.245 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.709 9.315 -2.204 1.00 0.00 C ATOM 1751 C LYS A 114 -4.569 8.236 -3.273 1.00 0.00 C ATOM 1752 O LYS A 114 -3.461 7.919 -3.707 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.442 8.716 -0.821 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.269 7.751 -0.793 1.00 0.00 C ATOM 1755 CD LYS A 114 -2.953 7.299 0.623 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.574 8.474 1.512 1.00 0.00 C ATOM 1757 NZ LYS A 114 -1.838 9.526 0.757 1.00 0.00 N ATOM 0 H LYS A 114 -6.772 9.348 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.975 10.096 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.254 9.524 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.338 8.196 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.496 6.882 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.392 8.230 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.818 6.787 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.135 6.579 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.475 8.904 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.957 8.120 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.627 10.324 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.949 9.132 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.423 9.858 -0.036 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.698 7.677 -3.694 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.700 6.633 -4.712 1.00 0.00 C ATOM 1773 C TYR A 115 -6.433 7.098 -5.967 1.00 0.00 C ATOM 1774 O TYR A 115 -5.876 7.082 -7.064 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.355 5.362 -4.167 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.747 4.876 -2.871 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.382 4.988 -2.635 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.538 4.305 -1.881 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.823 4.545 -1.453 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.987 3.860 -0.695 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.629 3.982 -0.486 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.076 3.540 0.694 1.00 0.00 O ATOM 0 H TYR A 115 -6.623 7.929 -3.346 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.665 6.416 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.418 5.548 -4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.275 4.573 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.748 5.429 -3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.602 4.208 -2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.760 4.639 -1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.616 3.419 0.064 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.807 4.310 1.237 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.684 7.511 -5.795 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.494 7.981 -6.914 1.00 0.00 C ATOM 1794 C GLU A 116 -7.870 9.217 -7.556 1.00 0.00 C ATOM 1795 O GLU A 116 -7.676 9.269 -8.770 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.915 8.298 -6.446 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.836 7.089 -6.432 1.00 0.00 C ATOM 1798 CD GLU A 116 -10.114 5.810 -6.055 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -9.574 5.742 -4.931 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -10.089 4.877 -6.884 1.00 0.00 O ATOM 0 H GLU A 116 -8.159 7.530 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.534 7.187 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.872 8.723 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.341 9.061 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.649 7.264 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.288 6.970 -7.417 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.558 10.211 -6.731 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.956 11.447 -7.215 1.00 0.00 C ATOM 1809 C LYS A 117 -5.434 11.365 -7.170 1.00 0.00 C ATOM 1810 O LYS A 117 -4.743 12.013 -7.956 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.438 12.635 -6.380 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.931 12.616 -6.100 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.711 13.346 -7.180 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.062 12.422 -8.336 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.160 12.976 -9.176 1.00 0.00 N ATOM 0 H LYS A 117 -7.712 10.184 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.264 11.590 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.899 12.645 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.186 13.560 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.277 11.584 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.126 13.079 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.625 13.760 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.123 14.186 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.178 12.261 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.359 11.449 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.369 12.317 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.011 13.106 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.867 13.893 -9.570 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.916 10.563 -6.246 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.476 10.393 -6.099 1.00 0.00 C ATOM 1831 C LYS A 118 -2.789 11.737 -5.877 1.00 0.00 C ATOM 1832 O LYS A 118 -1.686 11.970 -6.371 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.893 9.710 -7.339 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.124 8.209 -7.371 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.003 7.488 -8.101 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.466 6.145 -8.645 1.00 0.00 C ATOM 1837 NZ LYS A 118 -3.307 6.300 -9.864 1.00 0.00 N ATOM 0 H LYS A 118 -5.473 10.020 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.297 9.764 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.334 10.156 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.821 9.905 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.199 7.830 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.074 7.996 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -1.643 8.109 -8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.163 7.337 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.598 5.529 -8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.033 5.618 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -3.475 5.367 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.217 6.732 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.817 6.910 -10.549 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.448 12.616 -5.129 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.900 13.936 -4.841 1.00 0.00 C ATOM 1853 C ARG A 119 -1.456 13.833 -4.361 1.00 0.00 C ATOM 1854 O ARG A 119 -0.525 14.198 -5.079 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.750 14.645 -3.784 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.309 16.072 -3.505 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.180 16.727 -2.444 1.00 0.00 C ATOM 1858 NE ARG A 119 -3.797 18.115 -2.202 1.00 0.00 N ATOM 1859 CZ ARG A 119 -4.120 19.118 -3.012 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -4.828 18.886 -4.109 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -3.736 20.355 -2.724 1.00 0.00 N ATOM 0 H ARG A 119 -4.362 12.438 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.918 14.518 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.790 14.652 -4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.712 14.074 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.270 16.075 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.355 16.655 -4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.223 16.688 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.105 16.163 -1.514 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.252 18.326 -1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -5.126 17.936 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -5.075 19.657 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.192 20.537 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.984 21.124 -3.346 1.00 0.00 H new ATOM 1875 N TRP A 120 -1.277 13.334 -3.143 1.00 0.00 N ATOM 1876 CA TRP A 120 0.055 13.183 -2.567 1.00 0.00 C ATOM 1877 C TRP A 120 0.721 11.905 -3.064 1.00 0.00 C ATOM 1878 O TRP A 120 1.383 11.201 -2.300 1.00 0.00 O ATOM 1879 CB TRP A 120 -0.026 13.170 -1.040 1.00 0.00 C ATOM 1880 CG TRP A 120 -1.029 14.138 -0.490 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.833 15.466 -0.237 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.384 13.854 -0.124 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.984 16.024 0.264 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.950 15.056 0.343 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -3.173 12.701 -0.146 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -4.269 15.135 0.783 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.482 12.781 0.292 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -5.019 13.991 0.751 1.00 0.00 C ATOM 0 H TRP A 120 -2.037 13.027 -2.535 1.00 0.00 H new ATOM 0 HA TRP A 120 0.660 14.033 -2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.281 12.164 -0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 120 0.956 13.403 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.091 15.999 -0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -2.100 17.001 0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.768 11.764 -0.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.685 16.067 1.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.101 11.896 0.280 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -6.045 14.021 1.086 1.00 0.00 H new ATOM 1899 N TYR A 121 0.543 11.610 -4.347 1.00 0.00 N ATOM 1900 CA TYR A 121 1.126 10.415 -4.945 1.00 0.00 C ATOM 1901 C TYR A 121 2.558 10.677 -5.401 1.00 0.00 C ATOM 1902 O TYR A 121 2.809 11.557 -6.225 1.00 0.00 O ATOM 1903 CB TYR A 121 0.279 9.947 -6.130 1.00 0.00 C ATOM 1904 CG TYR A 121 0.919 8.835 -6.930 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.297 7.644 -6.323 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.145 8.975 -8.294 1.00 0.00 C ATOM 1907 CE1 TYR A 121 1.883 6.626 -7.050 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.729 7.962 -9.029 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.097 6.789 -8.402 1.00 0.00 C ATOM 1910 OH TYR A 121 2.679 5.777 -9.131 1.00 0.00 O ATOM 0 H TYR A 121 -0.001 12.182 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 121 1.143 9.632 -4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.689 9.608 -5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.091 10.795 -6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.130 7.512 -5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.859 9.892 -8.788 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.172 5.707 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.897 8.087 -10.089 1.00 0.00 H new ATOM 0 HH TYR A 121 2.757 6.052 -10.068 1.00 0.00 H new ATOM 1920 N VAL A 122 3.496 9.906 -4.860 1.00 0.00 N ATOM 1921 CA VAL A 122 4.903 10.052 -5.211 1.00 0.00 C ATOM 1922 C VAL A 122 5.614 8.703 -5.205 1.00 0.00 C ATOM 1923 O VAL A 122 5.892 8.125 -4.154 1.00 0.00 O ATOM 1924 CB VAL A 122 5.627 11.006 -4.243 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.125 11.001 -4.509 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.061 12.413 -4.359 1.00 0.00 C ATOM 0 H VAL A 122 3.306 9.173 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 122 4.936 10.472 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 122 5.462 10.656 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.620 11.681 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.516 9.993 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.314 11.326 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.584 13.074 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.194 12.776 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.999 12.399 -4.114 1.00 0.00 H new ATOM 1936 N PRO A 123 5.916 8.188 -6.406 1.00 0.00 N ATOM 1937 CA PRO A 123 6.600 6.901 -6.565 1.00 0.00 C ATOM 1938 C PRO A 123 8.055 6.957 -6.115 1.00 0.00 C ATOM 1939 O PRO A 123 8.723 7.987 -6.218 1.00 0.00 O ATOM 1940 CB PRO A 123 6.516 6.639 -8.071 1.00 0.00 C ATOM 1941 CG PRO A 123 6.391 7.992 -8.684 1.00 0.00 C ATOM 1942 CD PRO A 123 5.614 8.822 -7.700 1.00 0.00 C ATOM 0 HA PRO A 123 6.145 6.120 -5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.404 6.121 -8.433 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.659 6.012 -8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.372 8.427 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.876 7.940 -9.643 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.927 9.866 -7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.546 8.806 -7.916 1.00 0.00 H new ATOM 1950 N PRO A 124 8.561 5.826 -5.602 1.00 0.00 N ATOM 1951 CA PRO A 124 9.944 5.722 -5.126 1.00 0.00 C ATOM 1952 C PRO A 124 10.955 5.773 -6.266 1.00 0.00 C ATOM 1953 O PRO A 124 11.993 6.425 -6.158 1.00 0.00 O ATOM 1954 CB PRO A 124 9.980 4.354 -4.440 1.00 0.00 C ATOM 1955 CG PRO A 124 8.898 3.570 -5.099 1.00 0.00 C ATOM 1956 CD PRO A 124 7.823 4.561 -5.448 1.00 0.00 C ATOM 0 HA PRO A 124 10.213 6.550 -4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.950 3.873 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 124 9.806 4.444 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.269 3.066 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.515 2.797 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.304 4.284 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.069 4.629 -4.664 1.00 0.00 H new ATOM 1964 N GLU A 125 10.644 5.081 -7.358 1.00 0.00 N ATOM 1965 CA GLU A 125 11.528 5.049 -8.517 1.00 0.00 C ATOM 1966 C GLU A 125 12.242 6.386 -8.695 1.00 0.00 C ATOM 1967 O GLU A 125 13.392 6.433 -9.129 1.00 0.00 O ATOM 1968 CB GLU A 125 10.734 4.710 -9.781 1.00 0.00 C ATOM 1969 CG GLU A 125 10.225 3.279 -9.814 1.00 0.00 C ATOM 1970 CD GLU A 125 11.265 2.300 -10.324 1.00 0.00 C ATOM 1971 OE1 GLU A 125 11.532 2.302 -11.545 1.00 0.00 O ATOM 1972 OE2 GLU A 125 11.812 1.534 -9.504 1.00 0.00 O ATOM 0 H GLU A 125 9.788 4.536 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 125 12.278 4.277 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 125 9.886 5.390 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.364 4.883 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.916 2.984 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.340 3.227 -10.449 1.00 0.00 H new ATOM 1979 N GLN A 126 11.550 7.469 -8.357 1.00 0.00 N ATOM 1980 CA GLN A 126 12.117 8.806 -8.480 1.00 0.00 C ATOM 1981 C GLN A 126 12.651 9.297 -7.139 1.00 0.00 C ATOM 1982 O GLN A 126 13.704 9.931 -7.073 1.00 0.00 O ATOM 1983 CB GLN A 126 11.066 9.782 -9.012 1.00 0.00 C ATOM 1984 CG GLN A 126 10.471 9.367 -10.348 1.00 0.00 C ATOM 1985 CD GLN A 126 11.243 9.921 -11.528 1.00 0.00 C ATOM 1986 OE1 GLN A 126 11.586 11.103 -11.561 1.00 0.00 O ATOM 1987 NE2 GLN A 126 11.522 9.068 -12.508 1.00 0.00 N ATOM 0 H GLN A 126 10.596 7.447 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 126 12.947 8.757 -9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.264 9.874 -8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 126 11.518 10.768 -9.116 1.00 0.00 H new ATOM 0 HG2 GLN A 126 10.451 8.279 -10.410 1.00 0.00 H new ATOM 0 HG3 GLN A 126 9.437 9.708 -10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 126 11.219 8.096 -12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 126 12.039 9.385 -13.328 1.00 0.00 H new