USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 180:sc= 0.214! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -16.1! C(o=-22!,f=-16!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 136:sc= -0.0917 (180deg=-1.15) USER MOD Set 2.2: A 103 THR OG1 : rot -141:sc= -2.92! USER MOD Set 3.1: A 40 HIS : no HD1:sc= -1.5 K(o=-2.8,f=-6.6!) USER MOD Set 3.2: A 74 SER OG : rot 118:sc= -1.33! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -141:sc= 0 (180deg=-0.917) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.203 (180deg=-1.01) USER MOD Single : A 12 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.33) USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= 0.724 (180deg=-1.27) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.83 F(o=-7!,f=-1.8) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -5.37! (180deg=-9.06!) USER MOD Single : A 41 TYR OH : rot 168:sc= -0.607 USER MOD Single : A 45 CYS SG : rot 23:sc= -1.39! USER MOD Single : A 47 GLN : amide:sc= -4.93! C(o=-4.9!,f=-11!) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.178) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.08 F(o=-9.9!,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= -0.167 (180deg=-1.52!) USER MOD Single : A 67 HIS : no HD1:sc= 0.325 K(o=0.33,f=-3.3) USER MOD Single : A 68 HIS : no HD1:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 70 THR OG1 : rot 129:sc= -5.31! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.227 USER MOD Single : A 80 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-3.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -36:sc= 0.049 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -6.46! (180deg=-7.36!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 161:sc= -0.939 (180deg=-1.27) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0158 F(o=-1.3!,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.208 -7.934 87.312 1.00 0.00 N ATOM 44 CA LYS A 4 -6.736 -7.590 88.679 1.00 0.00 C ATOM 45 C LYS A 4 -6.218 -8.850 89.373 1.00 0.00 C ATOM 46 O LYS A 4 -5.038 -8.997 89.624 1.00 0.00 O ATOM 47 CB LYS A 4 -7.902 -7.017 89.487 1.00 0.00 C ATOM 48 CG LYS A 4 -8.542 -5.854 88.727 1.00 0.00 C ATOM 49 CD LYS A 4 -9.626 -5.214 89.599 1.00 0.00 C ATOM 50 CE LYS A 4 -10.174 -3.963 88.907 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.440 -3.542 89.572 1.00 0.00 N ATOM 0 HA LYS A 4 -5.935 -6.854 88.611 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.644 -7.794 89.672 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.548 -6.676 90.460 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.785 -5.114 88.467 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.975 -6.210 87.792 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.432 -5.926 89.775 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.214 -4.951 90.573 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.441 -3.158 88.954 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.356 -4.168 87.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.813 -2.692 89.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.139 -4.309 89.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.253 -3.330 90.573 1.00 0.00 H new ATOM 65 N GLU A 5 -7.101 -9.753 89.692 1.00 0.00 N ATOM 66 CA GLU A 5 -6.687 -11.006 90.384 1.00 0.00 C ATOM 67 C GLU A 5 -5.430 -11.588 89.728 1.00 0.00 C ATOM 68 O GLU A 5 -4.659 -12.281 90.362 1.00 0.00 O ATOM 69 CB GLU A 5 -7.834 -12.024 90.307 1.00 0.00 C ATOM 70 CG GLU A 5 -7.958 -12.766 91.640 1.00 0.00 C ATOM 71 CD GLU A 5 -8.567 -11.832 92.687 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.779 -11.695 92.696 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.811 -11.267 93.461 1.00 0.00 O ATOM 0 H GLU A 5 -8.100 -9.677 89.502 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.461 -10.783 91.427 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.770 -11.515 90.075 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.649 -12.734 89.501 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.582 -13.651 91.519 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.978 -13.110 91.970 1.00 0.00 H new ATOM 80 N PHE A 6 -5.214 -11.325 88.467 1.00 0.00 N ATOM 81 CA PHE A 6 -4.000 -11.884 87.800 1.00 0.00 C ATOM 82 C PHE A 6 -2.759 -11.104 88.248 1.00 0.00 C ATOM 83 O PHE A 6 -1.932 -11.609 88.981 1.00 0.00 O ATOM 84 CB PHE A 6 -4.156 -11.797 86.277 1.00 0.00 C ATOM 85 CG PHE A 6 -2.839 -12.130 85.606 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.207 -13.355 85.863 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.250 -11.213 84.724 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.989 -13.660 85.242 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.032 -11.519 84.105 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.402 -12.743 84.363 1.00 0.00 C ATOM 0 H PHE A 6 -5.817 -10.754 87.875 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.883 -12.930 88.083 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.930 -12.487 85.942 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.477 -10.795 85.992 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.660 -14.064 86.540 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.736 -10.270 84.522 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.503 -14.603 85.442 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.578 -10.811 83.428 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.537 -12.979 83.884 1.00 0.00 H new ATOM 100 N MET A 7 -2.613 -9.881 87.811 1.00 0.00 N ATOM 101 CA MET A 7 -1.416 -9.093 88.221 1.00 0.00 C ATOM 102 C MET A 7 -1.402 -8.938 89.743 1.00 0.00 C ATOM 103 O MET A 7 -0.355 -8.874 90.358 1.00 0.00 O ATOM 104 CB MET A 7 -1.439 -7.710 87.555 1.00 0.00 C ATOM 105 CG MET A 7 -2.323 -6.751 88.360 1.00 0.00 C ATOM 106 SD MET A 7 -2.624 -5.249 87.394 1.00 0.00 S ATOM 107 CE MET A 7 -4.014 -5.874 86.417 1.00 0.00 C ATOM 0 H MET A 7 -3.265 -9.398 87.193 1.00 0.00 H new ATOM 0 HA MET A 7 -0.516 -9.620 87.903 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.426 -7.313 87.488 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.816 -7.795 86.536 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.269 -7.233 88.607 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.838 -6.498 89.303 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.935 -5.505 85.395 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.994 -6.964 86.412 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.951 -5.530 86.856 1.00 0.00 H new ATOM 117 N TRP A 8 -2.552 -8.871 90.354 1.00 0.00 N ATOM 118 CA TRP A 8 -2.594 -8.716 91.835 1.00 0.00 C ATOM 119 C TRP A 8 -1.792 -9.843 92.491 1.00 0.00 C ATOM 120 O TRP A 8 -1.596 -9.862 93.688 1.00 0.00 O ATOM 121 CB TRP A 8 -4.046 -8.774 92.318 1.00 0.00 C ATOM 122 CG TRP A 8 -4.103 -8.386 93.759 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.274 -9.246 94.789 1.00 0.00 C ATOM 124 CD2 TRP A 8 -3.989 -7.059 94.348 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.272 -8.530 95.973 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.099 -7.178 95.753 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.802 -5.776 93.803 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.027 -6.063 96.589 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.729 -4.652 94.641 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.841 -4.795 96.031 1.00 0.00 C ATOM 0 H TRP A 8 -3.461 -8.917 89.894 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.160 -7.754 92.109 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.666 -8.102 91.724 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.446 -9.779 92.184 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.393 -10.316 94.702 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.385 -8.950 96.896 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.714 -5.655 92.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.114 -6.179 97.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.586 -3.671 94.212 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.784 -3.926 96.670 1.00 0.00 H new ATOM 141 N ALA A 9 -1.326 -10.782 91.716 1.00 0.00 N ATOM 142 CA ALA A 9 -0.536 -11.903 92.288 1.00 0.00 C ATOM 143 C ALA A 9 0.936 -11.497 92.328 1.00 0.00 C ATOM 144 O ALA A 9 1.603 -11.621 93.336 1.00 0.00 O ATOM 145 CB ALA A 9 -0.713 -13.145 91.417 1.00 0.00 C ATOM 0 H ALA A 9 -1.460 -10.820 90.706 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.880 -12.128 93.298 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.134 -13.968 91.835 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.767 -13.421 91.387 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.364 -12.933 90.406 1.00 0.00 H new ATOM 151 N LEU A 10 1.436 -10.978 91.244 1.00 0.00 N ATOM 152 CA LEU A 10 2.851 -10.520 91.221 1.00 0.00 C ATOM 153 C LEU A 10 2.990 -9.410 92.260 1.00 0.00 C ATOM 154 O LEU A 10 4.050 -8.852 92.469 1.00 0.00 O ATOM 155 CB LEU A 10 3.194 -9.968 89.832 1.00 0.00 C ATOM 156 CG LEU A 10 3.087 -11.086 88.781 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.737 -11.005 88.064 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.200 -10.929 87.742 1.00 0.00 C ATOM 0 H LEU A 10 0.925 -10.851 90.371 1.00 0.00 H new ATOM 0 HA LEU A 10 3.526 -11.346 91.443 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.517 -9.153 89.578 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.203 -9.555 89.835 1.00 0.00 H new ATOM 0 HG LEU A 10 3.180 -12.047 89.286 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.671 -11.801 87.322 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.932 -11.118 88.790 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.646 -10.038 87.569 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.120 -11.723 87.000 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.104 -9.961 87.250 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.170 -10.990 88.236 1.00 0.00 H new ATOM 170 N LYS A 11 1.895 -9.078 92.887 1.00 0.00 N ATOM 171 CA LYS A 11 1.881 -7.991 93.902 1.00 0.00 C ATOM 172 C LYS A 11 2.192 -8.533 95.303 1.00 0.00 C ATOM 173 O LYS A 11 3.258 -8.316 95.845 1.00 0.00 O ATOM 174 CB LYS A 11 0.479 -7.372 93.900 1.00 0.00 C ATOM 175 CG LYS A 11 0.398 -6.216 94.901 1.00 0.00 C ATOM 176 CD LYS A 11 1.266 -5.047 94.412 1.00 0.00 C ATOM 177 CE LYS A 11 2.576 -4.997 95.206 1.00 0.00 C ATOM 178 NZ LYS A 11 3.656 -4.467 94.329 1.00 0.00 N ATOM 0 H LYS A 11 0.991 -9.525 92.734 1.00 0.00 H new ATOM 0 HA LYS A 11 2.643 -7.253 93.653 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.236 -7.012 92.900 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.260 -8.132 94.153 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.636 -5.891 95.014 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.737 -6.548 95.883 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.480 -5.162 93.349 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.725 -4.108 94.529 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.459 -4.362 96.085 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.837 -5.993 95.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.430 -4.098 94.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.016 -5.231 93.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.277 -3.702 93.735 1.00 0.00 H new ATOM 192 N ASN A 12 1.247 -9.204 95.908 1.00 0.00 N ATOM 193 CA ASN A 12 1.448 -9.723 97.296 1.00 0.00 C ATOM 194 C ASN A 12 2.191 -11.062 97.293 1.00 0.00 C ATOM 195 O ASN A 12 2.329 -11.698 98.319 1.00 0.00 O ATOM 196 CB ASN A 12 0.082 -9.906 97.951 1.00 0.00 C ATOM 197 CG ASN A 12 0.252 -10.128 99.453 1.00 0.00 C ATOM 198 OD1 ASN A 12 0.669 -9.239 100.169 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.058 -11.288 99.964 1.00 0.00 N ATOM 0 H ASN A 12 0.338 -9.417 95.498 1.00 0.00 H new ATOM 0 HA ASN A 12 2.052 -9.005 97.851 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.538 -9.027 97.772 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.434 -10.756 97.505 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.050 -11.449 100.965 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.408 -12.033 99.362 1.00 0.00 H new ATOM 206 N GLY A 13 2.686 -11.491 96.170 1.00 0.00 N ATOM 207 CA GLY A 13 3.431 -12.774 96.139 1.00 0.00 C ATOM 208 C GLY A 13 2.475 -13.958 96.004 1.00 0.00 C ATOM 209 O GLY A 13 2.832 -15.080 96.304 1.00 0.00 O ATOM 0 H GLY A 13 2.607 -11.010 95.274 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.133 -12.771 95.305 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.020 -12.879 97.050 1.00 0.00 H new ATOM 213 N ASP A 14 1.274 -13.742 95.540 1.00 0.00 N ATOM 214 CA ASP A 14 0.347 -14.889 95.377 1.00 0.00 C ATOM 215 C ASP A 14 0.901 -15.762 94.262 1.00 0.00 C ATOM 216 O ASP A 14 0.233 -16.104 93.306 1.00 0.00 O ATOM 217 CB ASP A 14 -1.048 -14.401 95.014 1.00 0.00 C ATOM 218 CG ASP A 14 -1.360 -13.110 95.777 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.825 -12.944 96.861 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.133 -12.315 95.268 1.00 0.00 O ATOM 0 H ASP A 14 0.901 -12.832 95.271 1.00 0.00 H new ATOM 0 HA ASP A 14 0.269 -15.450 96.308 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.114 -14.225 93.940 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.786 -15.166 95.257 1.00 0.00 H new ATOM 225 N LEU A 15 2.141 -16.098 94.396 1.00 0.00 N ATOM 226 CA LEU A 15 2.841 -16.928 93.393 1.00 0.00 C ATOM 227 C LEU A 15 1.950 -18.092 92.963 1.00 0.00 C ATOM 228 O LEU A 15 2.069 -18.611 91.875 1.00 0.00 O ATOM 229 CB LEU A 15 4.135 -17.424 94.045 1.00 0.00 C ATOM 230 CG LEU A 15 4.970 -18.282 93.088 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.397 -19.705 93.003 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.009 -17.647 91.690 1.00 0.00 C ATOM 0 H LEU A 15 2.721 -15.822 95.189 1.00 0.00 H new ATOM 0 HA LEU A 15 3.072 -16.356 92.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.726 -16.569 94.374 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.893 -18.005 94.935 1.00 0.00 H new ATOM 0 HG LEU A 15 5.987 -18.336 93.477 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.002 -20.301 92.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.411 -20.162 93.992 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.371 -19.663 92.637 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.606 -18.270 91.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.995 -17.566 91.299 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.454 -16.654 91.754 1.00 0.00 H new ATOM 244 N ASP A 16 1.051 -18.497 93.805 1.00 0.00 N ATOM 245 CA ASP A 16 0.143 -19.610 93.454 1.00 0.00 C ATOM 246 C ASP A 16 -0.807 -19.177 92.331 1.00 0.00 C ATOM 247 O ASP A 16 -1.268 -19.984 91.550 1.00 0.00 O ATOM 248 CB ASP A 16 -0.670 -19.982 94.690 1.00 0.00 C ATOM 249 CG ASP A 16 0.276 -20.381 95.826 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.861 -21.449 95.736 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.400 -19.613 96.765 1.00 0.00 O ATOM 0 H ASP A 16 0.906 -18.099 94.733 1.00 0.00 H new ATOM 0 HA ASP A 16 0.725 -20.466 93.113 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.289 -19.139 94.998 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.345 -20.806 94.459 1.00 0.00 H new ATOM 256 N GLU A 17 -1.122 -17.911 92.268 1.00 0.00 N ATOM 257 CA GLU A 17 -2.067 -17.421 91.221 1.00 0.00 C ATOM 258 C GLU A 17 -1.357 -17.256 89.869 1.00 0.00 C ATOM 259 O GLU A 17 -1.861 -17.676 88.841 1.00 0.00 O ATOM 260 CB GLU A 17 -2.652 -16.081 91.669 1.00 0.00 C ATOM 261 CG GLU A 17 -3.811 -16.332 92.636 1.00 0.00 C ATOM 262 CD GLU A 17 -4.349 -14.997 93.153 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.042 -14.330 92.403 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.058 -14.665 94.290 1.00 0.00 O ATOM 0 H GLU A 17 -0.765 -17.193 92.898 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.864 -18.154 91.094 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.883 -15.479 92.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.001 -15.516 90.804 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.604 -16.884 92.132 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.474 -16.947 93.470 1.00 0.00 H new ATOM 271 N VAL A 18 -0.195 -16.662 89.845 1.00 0.00 N ATOM 272 CA VAL A 18 0.509 -16.499 88.536 1.00 0.00 C ATOM 273 C VAL A 18 0.848 -17.890 88.021 1.00 0.00 C ATOM 274 O VAL A 18 0.869 -18.147 86.834 1.00 0.00 O ATOM 275 CB VAL A 18 1.825 -15.717 88.728 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.670 -14.261 88.264 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.216 -15.749 90.210 1.00 0.00 C ATOM 0 H VAL A 18 0.293 -16.287 90.659 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.128 -15.955 87.839 1.00 0.00 H new ATOM 0 HB VAL A 18 2.604 -16.185 88.126 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.611 -13.731 88.410 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.403 -14.242 87.207 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.886 -13.775 88.845 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.146 -15.198 90.353 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.427 -15.289 90.805 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.354 -16.782 90.528 1.00 0.00 H new ATOM 287 N LYS A 19 1.124 -18.780 88.920 1.00 0.00 N ATOM 288 CA LYS A 19 1.477 -20.164 88.528 1.00 0.00 C ATOM 289 C LYS A 19 0.312 -20.816 87.791 1.00 0.00 C ATOM 290 O LYS A 19 0.498 -21.676 86.958 1.00 0.00 O ATOM 291 CB LYS A 19 1.789 -20.952 89.796 1.00 0.00 C ATOM 292 CG LYS A 19 2.377 -22.321 89.442 1.00 0.00 C ATOM 293 CD LYS A 19 3.256 -22.811 90.600 1.00 0.00 C ATOM 294 CE LYS A 19 4.654 -22.193 90.488 1.00 0.00 C ATOM 295 NZ LYS A 19 5.554 -23.141 89.776 1.00 0.00 N ATOM 0 H LYS A 19 1.120 -18.606 89.925 1.00 0.00 H new ATOM 0 HA LYS A 19 2.341 -20.153 87.864 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.494 -20.395 90.414 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.881 -21.080 90.385 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.576 -23.035 89.251 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.966 -22.251 88.528 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.803 -22.538 91.553 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.326 -23.899 90.580 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.604 -21.247 89.949 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.048 -21.975 91.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.148 -22.616 89.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.161 -23.628 90.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.983 -23.842 89.262 1.00 0.00 H new ATOM 309 N ASP A 20 -0.886 -20.423 88.100 1.00 0.00 N ATOM 310 CA ASP A 20 -2.065 -21.033 87.431 1.00 0.00 C ATOM 311 C ASP A 20 -2.067 -20.682 85.942 1.00 0.00 C ATOM 312 O ASP A 20 -2.055 -21.551 85.091 1.00 0.00 O ATOM 313 CB ASP A 20 -3.348 -20.506 88.078 1.00 0.00 C ATOM 314 CG ASP A 20 -4.560 -21.153 87.406 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.620 -22.371 87.381 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.409 -20.419 86.926 1.00 0.00 O ATOM 0 H ASP A 20 -1.103 -19.703 88.789 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.014 -22.116 87.542 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.348 -20.729 89.145 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.399 -19.422 87.979 1.00 0.00 H new ATOM 321 N TYR A 21 -2.087 -19.420 85.618 1.00 0.00 N ATOM 322 CA TYR A 21 -2.098 -19.028 84.179 1.00 0.00 C ATOM 323 C TYR A 21 -0.820 -19.526 83.502 1.00 0.00 C ATOM 324 O TYR A 21 -0.854 -20.078 82.422 1.00 0.00 O ATOM 325 CB TYR A 21 -2.186 -17.505 84.068 1.00 0.00 C ATOM 326 CG TYR A 21 -3.527 -17.052 84.592 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.722 -16.892 85.969 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.580 -16.801 83.703 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.967 -16.481 86.457 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.825 -16.388 84.191 1.00 0.00 C ATOM 331 CZ TYR A 21 -6.019 -16.229 85.568 1.00 0.00 C ATOM 332 OH TYR A 21 -7.248 -15.826 86.049 1.00 0.00 O ATOM 0 H TYR A 21 -2.096 -18.646 86.282 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.961 -19.475 83.685 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.382 -17.039 84.637 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.063 -17.195 83.030 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.911 -17.086 86.655 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.431 -16.926 82.641 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.117 -16.358 87.519 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.636 -16.192 83.505 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.865 -15.693 85.299 1.00 0.00 H new ATOM 342 N VAL A 22 0.305 -19.336 84.128 1.00 0.00 N ATOM 343 CA VAL A 22 1.585 -19.799 83.530 1.00 0.00 C ATOM 344 C VAL A 22 1.663 -21.329 83.587 1.00 0.00 C ATOM 345 O VAL A 22 2.345 -21.949 82.796 1.00 0.00 O ATOM 346 CB VAL A 22 2.750 -19.184 84.304 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.072 -19.780 83.813 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.754 -17.671 84.076 1.00 0.00 C ATOM 0 H VAL A 22 0.393 -18.877 85.034 1.00 0.00 H new ATOM 0 HA VAL A 22 1.637 -19.486 82.487 1.00 0.00 H new ATOM 0 HB VAL A 22 2.637 -19.398 85.367 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.899 -19.338 84.368 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.065 -20.859 83.970 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.194 -19.569 82.751 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.582 -17.223 84.625 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.869 -17.464 83.012 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.814 -17.247 84.429 1.00 0.00 H new ATOM 358 N ALA A 23 0.968 -21.950 84.507 1.00 0.00 N ATOM 359 CA ALA A 23 1.018 -23.436 84.585 1.00 0.00 C ATOM 360 C ALA A 23 0.505 -24.001 83.265 1.00 0.00 C ATOM 361 O ALA A 23 0.737 -25.144 82.928 1.00 0.00 O ATOM 362 CB ALA A 23 0.138 -23.935 85.736 1.00 0.00 C ATOM 0 H ALA A 23 0.374 -21.495 85.200 1.00 0.00 H new ATOM 0 HA ALA A 23 2.042 -23.763 84.766 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.183 -25.023 85.783 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.497 -23.516 86.676 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.892 -23.621 85.569 1.00 0.00 H new ATOM 368 N LYS A 24 -0.185 -23.192 82.512 1.00 0.00 N ATOM 369 CA LYS A 24 -0.712 -23.655 81.208 1.00 0.00 C ATOM 370 C LYS A 24 0.450 -24.123 80.338 1.00 0.00 C ATOM 371 O LYS A 24 0.731 -25.302 80.240 1.00 0.00 O ATOM 372 CB LYS A 24 -1.441 -22.498 80.514 1.00 0.00 C ATOM 373 CG LYS A 24 -2.865 -22.379 81.071 1.00 0.00 C ATOM 374 CD LYS A 24 -3.798 -23.313 80.295 1.00 0.00 C ATOM 375 CE LYS A 24 -5.041 -23.613 81.136 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.090 -24.219 80.268 1.00 0.00 N ATOM 0 H LYS A 24 -0.406 -22.225 82.749 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.408 -24.479 81.362 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.899 -21.566 80.673 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.474 -22.669 79.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.875 -22.636 82.130 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.214 -21.350 80.989 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.088 -22.851 79.351 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.280 -24.240 80.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.788 -24.293 81.949 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.415 -22.696 81.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.936 -24.424 80.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.337 -23.555 79.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.730 -25.102 79.853 1.00 0.00 H new ATOM 390 N GLY A 25 1.135 -23.211 79.710 1.00 0.00 N ATOM 391 CA GLY A 25 2.277 -23.616 78.850 1.00 0.00 C ATOM 392 C GLY A 25 3.155 -22.408 78.512 1.00 0.00 C ATOM 393 O GLY A 25 2.907 -21.697 77.560 1.00 0.00 O ATOM 0 H GLY A 25 0.954 -22.208 79.755 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.872 -24.373 79.360 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.904 -24.069 77.931 1.00 0.00 H new ATOM 397 N GLU A 26 4.193 -22.202 79.277 1.00 0.00 N ATOM 398 CA GLU A 26 5.142 -21.074 79.022 1.00 0.00 C ATOM 399 C GLU A 26 4.442 -19.899 78.332 1.00 0.00 C ATOM 400 O GLU A 26 4.706 -19.602 77.183 1.00 0.00 O ATOM 401 CB GLU A 26 6.300 -21.571 78.158 1.00 0.00 C ATOM 402 CG GLU A 26 5.778 -22.559 77.120 1.00 0.00 C ATOM 403 CD GLU A 26 5.471 -23.900 77.790 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.778 -24.038 78.963 1.00 0.00 O ATOM 405 OE2 GLU A 26 4.935 -24.767 77.119 1.00 0.00 O ATOM 0 H GLU A 26 4.430 -22.778 80.085 1.00 0.00 H new ATOM 0 HA GLU A 26 5.520 -20.720 79.981 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.784 -20.730 77.662 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.054 -22.049 78.783 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.879 -22.163 76.648 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.518 -22.697 76.331 1.00 0.00 H new ATOM 412 N ASP A 27 3.570 -19.217 79.024 1.00 0.00 N ATOM 413 CA ASP A 27 2.873 -18.048 78.409 1.00 0.00 C ATOM 414 C ASP A 27 3.412 -16.770 79.045 1.00 0.00 C ATOM 415 O ASP A 27 2.799 -15.724 78.979 1.00 0.00 O ATOM 416 CB ASP A 27 1.369 -18.141 78.668 1.00 0.00 C ATOM 417 CG ASP A 27 0.649 -17.057 77.864 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.798 -17.047 76.653 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.036 -16.252 78.473 1.00 0.00 O ATOM 0 H ASP A 27 3.309 -19.418 79.989 1.00 0.00 H new ATOM 0 HA ASP A 27 3.049 -18.042 77.333 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.000 -19.126 78.384 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.163 -18.018 79.731 1.00 0.00 H new ATOM 424 N VAL A 28 4.552 -16.850 79.672 1.00 0.00 N ATOM 425 CA VAL A 28 5.127 -15.644 80.324 1.00 0.00 C ATOM 426 C VAL A 28 5.726 -14.720 79.263 1.00 0.00 C ATOM 427 O VAL A 28 6.925 -14.614 79.117 1.00 0.00 O ATOM 428 CB VAL A 28 6.202 -16.071 81.329 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.571 -16.986 82.379 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.321 -16.830 80.610 1.00 0.00 C ATOM 0 H VAL A 28 5.110 -17.699 79.760 1.00 0.00 H new ATOM 0 HA VAL A 28 4.342 -15.104 80.854 1.00 0.00 H new ATOM 0 HB VAL A 28 6.619 -15.184 81.806 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.331 -17.294 83.097 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.776 -16.450 82.898 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.155 -17.867 81.891 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.080 -17.129 81.333 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.908 -17.717 80.129 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.772 -16.185 79.856 1.00 0.00 H new ATOM 440 N ASN A 29 4.894 -14.045 78.522 1.00 0.00 N ATOM 441 CA ASN A 29 5.400 -13.126 77.475 1.00 0.00 C ATOM 442 C ASN A 29 4.237 -12.320 76.879 1.00 0.00 C ATOM 443 O ASN A 29 4.391 -11.643 75.883 1.00 0.00 O ATOM 444 CB ASN A 29 6.071 -13.939 76.371 1.00 0.00 C ATOM 445 CG ASN A 29 5.253 -15.198 76.091 1.00 0.00 C ATOM 446 OD1 ASN A 29 5.287 -16.183 76.941 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 4.576 -15.285 75.085 1.00 0.00 N flip ATOM 0 H ASN A 29 3.878 -14.093 78.600 1.00 0.00 H new ATOM 0 HA ASN A 29 6.121 -12.439 77.918 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.156 -13.339 75.465 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.084 -14.210 76.670 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.550 -14.513 74.419 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.034 -16.130 74.907 1.00 0.00 H new ATOM 454 N ARG A 30 3.080 -12.372 77.489 1.00 0.00 N ATOM 455 CA ARG A 30 1.924 -11.596 76.969 1.00 0.00 C ATOM 456 C ARG A 30 1.944 -10.218 77.619 1.00 0.00 C ATOM 457 O ARG A 30 2.233 -10.078 78.791 1.00 0.00 O ATOM 458 CB ARG A 30 0.616 -12.307 77.327 1.00 0.00 C ATOM 459 CG ARG A 30 0.786 -13.032 78.659 1.00 0.00 C ATOM 460 CD ARG A 30 -0.583 -13.477 79.180 1.00 0.00 C ATOM 461 NE ARG A 30 -1.417 -12.276 79.470 1.00 0.00 N ATOM 462 CZ ARG A 30 -2.705 -12.398 79.638 1.00 0.00 C ATOM 463 NH1 ARG A 30 -3.268 -13.573 79.552 1.00 0.00 N ATOM 464 NH2 ARG A 30 -3.432 -11.344 79.892 1.00 0.00 N ATOM 0 H ARG A 30 2.890 -12.921 78.327 1.00 0.00 H new ATOM 0 HA ARG A 30 1.992 -11.508 75.885 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.198 -11.585 77.394 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.348 -13.017 76.545 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.437 -13.897 78.533 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.266 -12.374 79.384 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.078 -14.107 78.441 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.464 -14.077 80.082 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.980 -11.357 79.537 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.701 -14.397 79.353 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.275 -13.667 79.684 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.993 -10.426 79.959 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.439 -11.439 80.023 1.00 0.00 H new ATOM 478 N THR A 31 1.643 -9.204 76.874 1.00 0.00 N ATOM 479 CA THR A 31 1.653 -7.837 77.462 1.00 0.00 C ATOM 480 C THR A 31 0.743 -7.823 78.689 1.00 0.00 C ATOM 481 O THR A 31 -0.342 -8.370 78.681 1.00 0.00 O ATOM 482 CB THR A 31 1.170 -6.810 76.437 1.00 0.00 C ATOM 483 OG1 THR A 31 1.718 -7.122 75.163 1.00 0.00 O ATOM 484 CG2 THR A 31 1.633 -5.416 76.868 1.00 0.00 C ATOM 0 H THR A 31 1.391 -9.255 75.887 1.00 0.00 H new ATOM 0 HA THR A 31 2.670 -7.574 77.752 1.00 0.00 H new ATOM 0 HB THR A 31 0.082 -6.831 76.377 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.408 -6.466 74.504 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.292 -4.679 76.141 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.216 -5.181 77.847 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.721 -5.395 76.923 1.00 0.00 H new ATOM 492 N LEU A 32 1.200 -7.233 79.753 1.00 0.00 N ATOM 493 CA LEU A 32 0.398 -7.211 81.007 1.00 0.00 C ATOM 494 C LEU A 32 -0.753 -6.192 80.930 1.00 0.00 C ATOM 495 O LEU A 32 -1.805 -6.475 80.394 1.00 0.00 O ATOM 496 CB LEU A 32 1.335 -6.869 82.175 1.00 0.00 C ATOM 497 CG LEU A 32 0.762 -7.407 83.500 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.904 -7.923 84.385 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.010 -6.290 84.235 1.00 0.00 C ATOM 0 H LEU A 32 2.102 -6.760 79.810 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.054 -8.192 81.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.321 -7.299 81.997 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.466 -5.789 82.240 1.00 0.00 H new ATOM 0 HG LEU A 32 0.072 -8.223 83.284 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.495 -8.303 85.321 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.432 -8.724 83.868 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.598 -7.109 84.596 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.393 -6.677 85.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.695 -5.469 84.447 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.807 -5.929 83.610 1.00 0.00 H new ATOM 511 N GLU A 33 -0.579 -5.030 81.507 1.00 0.00 N ATOM 512 CA GLU A 33 -1.679 -4.020 81.513 1.00 0.00 C ATOM 513 C GLU A 33 -1.753 -3.246 80.190 1.00 0.00 C ATOM 514 O GLU A 33 -2.824 -2.868 79.758 1.00 0.00 O ATOM 515 CB GLU A 33 -1.457 -3.036 82.666 1.00 0.00 C ATOM 516 CG GLU A 33 -0.224 -2.176 82.383 1.00 0.00 C ATOM 517 CD GLU A 33 0.192 -1.443 83.661 1.00 0.00 C ATOM 518 OE1 GLU A 33 -0.637 -1.325 84.549 1.00 0.00 O ATOM 519 OE2 GLU A 33 1.331 -1.012 83.730 1.00 0.00 O ATOM 0 H GLU A 33 0.279 -4.737 81.975 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.622 -4.552 81.641 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.334 -2.401 82.788 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.325 -3.581 83.601 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.595 -2.801 82.027 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.442 -1.457 81.593 1.00 0.00 H new ATOM 526 N GLY A 34 -0.649 -2.984 79.544 1.00 0.00 N ATOM 527 CA GLY A 34 -0.728 -2.215 78.264 1.00 0.00 C ATOM 528 C GLY A 34 0.580 -2.325 77.485 1.00 0.00 C ATOM 529 O GLY A 34 0.585 -2.483 76.281 1.00 0.00 O ATOM 0 H GLY A 34 0.288 -3.262 79.837 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.551 -2.593 77.657 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.943 -1.168 78.476 1.00 0.00 H new ATOM 533 N GLY A 35 1.685 -2.232 78.158 1.00 0.00 N ATOM 534 CA GLY A 35 2.997 -2.323 77.456 1.00 0.00 C ATOM 535 C GLY A 35 4.042 -2.913 78.405 1.00 0.00 C ATOM 536 O GLY A 35 5.230 -2.825 78.166 1.00 0.00 O ATOM 0 H GLY A 35 1.742 -2.096 79.167 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.904 -2.947 76.567 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.311 -1.335 77.120 1.00 0.00 H new ATOM 540 N ARG A 36 3.607 -3.507 79.487 1.00 0.00 N ATOM 541 CA ARG A 36 4.571 -4.098 80.466 1.00 0.00 C ATOM 542 C ARG A 36 4.348 -5.611 80.567 1.00 0.00 C ATOM 543 O ARG A 36 3.301 -6.116 80.214 1.00 0.00 O ATOM 544 CB ARG A 36 4.341 -3.466 81.844 1.00 0.00 C ATOM 545 CG ARG A 36 4.073 -1.961 81.700 1.00 0.00 C ATOM 546 CD ARG A 36 5.312 -1.254 81.130 1.00 0.00 C ATOM 547 NE ARG A 36 5.640 -0.047 81.956 1.00 0.00 N ATOM 548 CZ ARG A 36 4.708 0.791 82.329 1.00 0.00 C ATOM 549 NH1 ARG A 36 3.478 0.636 81.924 1.00 0.00 N ATOM 550 NH2 ARG A 36 5.018 1.804 83.092 1.00 0.00 N ATOM 0 H ARG A 36 2.623 -3.609 79.736 1.00 0.00 H new ATOM 0 HA ARG A 36 5.589 -3.903 80.130 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.496 -3.948 82.336 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.214 -3.628 82.477 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.218 -1.798 81.044 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.816 -1.535 82.670 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.160 -1.939 81.120 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.129 -0.959 80.097 1.00 0.00 H new ATOM 0 HE ARG A 36 6.607 0.124 82.232 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.237 -0.143 81.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.757 1.294 82.220 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.983 1.939 83.394 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.295 2.461 83.386 1.00 0.00 H new ATOM 564 N LYS A 37 5.317 -6.334 81.071 1.00 0.00 N ATOM 565 CA LYS A 37 5.155 -7.811 81.223 1.00 0.00 C ATOM 566 C LYS A 37 5.320 -8.173 82.716 1.00 0.00 C ATOM 567 O LYS A 37 5.983 -7.462 83.444 1.00 0.00 O ATOM 568 CB LYS A 37 6.183 -8.541 80.346 1.00 0.00 C ATOM 569 CG LYS A 37 7.611 -8.286 80.849 1.00 0.00 C ATOM 570 CD LYS A 37 8.014 -9.307 81.925 1.00 0.00 C ATOM 571 CE LYS A 37 7.642 -10.733 81.500 1.00 0.00 C ATOM 572 NZ LYS A 37 8.535 -11.703 82.190 1.00 0.00 N ATOM 0 H LYS A 37 6.214 -5.964 81.384 1.00 0.00 H new ATOM 0 HA LYS A 37 4.164 -8.124 80.894 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.977 -9.611 80.351 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.091 -8.204 79.314 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.309 -8.341 80.013 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.681 -7.278 81.257 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.087 -9.246 82.105 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.519 -9.064 82.865 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.601 -10.939 81.750 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.738 -10.839 80.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.718 -12.513 81.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.435 -11.238 82.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.077 -12.037 83.062 1.00 0.00 H new ATOM 586 N PRO A 38 4.668 -9.239 83.141 1.00 0.00 N ATOM 587 CA PRO A 38 4.684 -9.684 84.563 1.00 0.00 C ATOM 588 C PRO A 38 6.092 -9.972 85.137 1.00 0.00 C ATOM 589 O PRO A 38 6.348 -11.049 85.622 1.00 0.00 O ATOM 590 CB PRO A 38 3.828 -10.968 84.577 1.00 0.00 C ATOM 591 CG PRO A 38 3.292 -11.201 83.143 1.00 0.00 C ATOM 592 CD PRO A 38 3.854 -10.089 82.244 1.00 0.00 C ATOM 0 HA PRO A 38 4.302 -8.886 85.200 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.424 -11.820 84.904 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.002 -10.868 85.281 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.598 -12.180 82.775 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.202 -11.184 83.135 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.459 -10.503 81.437 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.052 -9.516 81.779 1.00 0.00 H new ATOM 600 N LEU A 39 6.989 -9.022 85.149 1.00 0.00 N ATOM 601 CA LEU A 39 8.328 -9.285 85.771 1.00 0.00 C ATOM 602 C LEU A 39 8.742 -8.063 86.605 1.00 0.00 C ATOM 603 O LEU A 39 9.450 -8.175 87.586 1.00 0.00 O ATOM 604 CB LEU A 39 9.377 -9.590 84.689 1.00 0.00 C ATOM 605 CG LEU A 39 10.713 -10.092 85.298 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.499 -10.836 86.621 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.395 -11.052 84.314 1.00 0.00 C ATOM 0 H LEU A 39 6.860 -8.087 84.762 1.00 0.00 H new ATOM 0 HA LEU A 39 8.262 -10.157 86.421 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.984 -10.343 84.006 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.562 -8.692 84.100 1.00 0.00 H new ATOM 0 HG LEU A 39 11.332 -9.215 85.488 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.461 -11.169 87.011 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.027 -10.168 87.342 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.857 -11.700 86.453 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.334 -11.405 84.741 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.741 -11.903 84.123 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.596 -10.531 83.378 1.00 0.00 H new ATOM 619 N HIS A 40 8.297 -6.896 86.228 1.00 0.00 N ATOM 620 CA HIS A 40 8.658 -5.673 87.003 1.00 0.00 C ATOM 621 C HIS A 40 7.850 -5.648 88.299 1.00 0.00 C ATOM 622 O HIS A 40 8.351 -5.307 89.349 1.00 0.00 O ATOM 623 CB HIS A 40 8.325 -4.433 86.174 1.00 0.00 C ATOM 624 CG HIS A 40 8.640 -3.193 86.967 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.661 -2.327 86.607 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.073 -2.656 88.096 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.677 -1.325 87.504 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.730 -1.476 88.434 1.00 0.00 N ATOM 0 H HIS A 40 7.699 -6.735 85.417 1.00 0.00 H new ATOM 0 HA HIS A 40 9.723 -5.682 87.233 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.898 -4.439 85.247 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.271 -4.441 85.897 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.243 -3.084 88.639 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.371 -0.498 87.476 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.531 -0.860 89.222 1.00 0.00 H new ATOM 636 N TYR A 41 6.606 -6.027 88.234 1.00 0.00 N ATOM 637 CA TYR A 41 5.769 -6.046 89.461 1.00 0.00 C ATOM 638 C TYR A 41 6.309 -7.137 90.381 1.00 0.00 C ATOM 639 O TYR A 41 6.435 -6.958 91.576 1.00 0.00 O ATOM 640 CB TYR A 41 4.324 -6.357 89.075 1.00 0.00 C ATOM 641 CG TYR A 41 3.972 -5.550 87.854 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.354 -5.999 86.584 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.276 -4.347 87.993 1.00 0.00 C ATOM 644 CE1 TYR A 41 4.042 -5.238 85.453 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.962 -3.589 86.864 1.00 0.00 C ATOM 646 CZ TYR A 41 3.342 -4.033 85.593 1.00 0.00 C ATOM 647 OH TYR A 41 3.034 -3.281 84.479 1.00 0.00 O ATOM 0 H TYR A 41 6.132 -6.325 87.381 1.00 0.00 H new ATOM 0 HA TYR A 41 5.799 -5.081 89.968 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.207 -7.422 88.872 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.651 -6.113 89.897 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.889 -6.931 86.478 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.981 -4.004 88.974 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.340 -5.579 84.473 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.425 -2.658 86.972 1.00 0.00 H new ATOM 0 HH TYR A 41 2.390 -2.583 84.723 1.00 0.00 H new ATOM 657 N ALA A 42 6.659 -8.259 89.813 1.00 0.00 N ATOM 658 CA ALA A 42 7.228 -9.369 90.624 1.00 0.00 C ATOM 659 C ALA A 42 8.610 -8.946 91.103 1.00 0.00 C ATOM 660 O ALA A 42 8.910 -8.980 92.273 1.00 0.00 O ATOM 661 CB ALA A 42 7.348 -10.624 89.752 1.00 0.00 C ATOM 0 H ALA A 42 6.574 -8.454 88.815 1.00 0.00 H new ATOM 0 HA ALA A 42 6.585 -9.588 91.476 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.765 -11.439 90.343 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.361 -10.908 89.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.003 -10.418 88.906 1.00 0.00 H new ATOM 667 N ALA A 43 9.451 -8.535 90.206 1.00 0.00 N ATOM 668 CA ALA A 43 10.801 -8.101 90.627 1.00 0.00 C ATOM 669 C ALA A 43 10.637 -6.980 91.650 1.00 0.00 C ATOM 670 O ALA A 43 11.153 -7.042 92.749 1.00 0.00 O ATOM 671 CB ALA A 43 11.569 -7.577 89.411 1.00 0.00 C ATOM 0 H ALA A 43 9.263 -8.481 89.205 1.00 0.00 H new ATOM 0 HA ALA A 43 11.353 -8.934 91.062 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.564 -7.257 89.720 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.657 -8.369 88.667 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.033 -6.732 88.979 1.00 0.00 H new ATOM 677 N ASP A 44 9.910 -5.963 91.290 1.00 0.00 N ATOM 678 CA ASP A 44 9.691 -4.816 92.211 1.00 0.00 C ATOM 679 C ASP A 44 9.146 -5.283 93.567 1.00 0.00 C ATOM 680 O ASP A 44 9.486 -4.733 94.594 1.00 0.00 O ATOM 681 CB ASP A 44 8.690 -3.851 91.575 1.00 0.00 C ATOM 682 CG ASP A 44 8.467 -2.660 92.508 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.853 -2.852 93.544 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.914 -1.576 92.170 1.00 0.00 O ATOM 0 H ASP A 44 9.451 -5.876 90.383 1.00 0.00 H new ATOM 0 HA ASP A 44 10.648 -4.323 92.379 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.063 -3.506 90.611 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.745 -4.361 91.387 1.00 0.00 H new ATOM 689 N CYS A 45 8.295 -6.273 93.591 1.00 0.00 N ATOM 690 CA CYS A 45 7.733 -6.727 94.900 1.00 0.00 C ATOM 691 C CYS A 45 7.099 -8.107 94.741 1.00 0.00 C ATOM 692 O CYS A 45 5.911 -8.277 94.933 1.00 0.00 O ATOM 693 CB CYS A 45 6.646 -5.748 95.351 1.00 0.00 C ATOM 694 SG CYS A 45 7.399 -4.260 96.056 1.00 0.00 S ATOM 0 H CYS A 45 7.966 -6.784 92.772 1.00 0.00 H new ATOM 0 HA CYS A 45 8.537 -6.769 95.635 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.015 -5.479 94.504 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.002 -6.224 96.090 1.00 0.00 H new ATOM 0 HG CYS A 45 8.609 -4.128 95.600 1.00 0.00 H new ATOM 700 N GLY A 46 7.877 -9.091 94.391 1.00 0.00 N ATOM 701 CA GLY A 46 7.314 -10.467 94.218 1.00 0.00 C ATOM 702 C GLY A 46 7.900 -11.402 95.275 1.00 0.00 C ATOM 703 O GLY A 46 8.197 -12.546 95.001 1.00 0.00 O ATOM 0 H GLY A 46 8.878 -9.007 94.216 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.228 -10.439 94.306 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.544 -10.841 93.220 1.00 0.00 H new ATOM 707 N GLN A 47 8.087 -10.933 96.479 1.00 0.00 N ATOM 708 CA GLN A 47 8.673 -11.818 97.524 1.00 0.00 C ATOM 709 C GLN A 47 9.923 -12.479 96.941 1.00 0.00 C ATOM 710 O GLN A 47 10.451 -13.439 97.466 1.00 0.00 O ATOM 711 CB GLN A 47 7.647 -12.877 97.928 1.00 0.00 C ATOM 712 CG GLN A 47 6.638 -12.271 98.908 1.00 0.00 C ATOM 713 CD GLN A 47 6.210 -10.879 98.431 1.00 0.00 C ATOM 714 OE1 GLN A 47 7.012 -9.969 98.379 1.00 0.00 O ATOM 715 NE2 GLN A 47 4.968 -10.673 98.085 1.00 0.00 N ATOM 0 H GLN A 47 7.862 -9.985 96.782 1.00 0.00 H new ATOM 0 HA GLN A 47 8.941 -11.243 98.411 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.130 -13.252 97.045 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.150 -13.727 98.388 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.766 -12.919 98.991 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.081 -12.203 99.902 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.293 -11.437 98.128 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.673 -9.748 97.771 1.00 0.00 H new ATOM 724 N LEU A 48 10.394 -11.932 95.854 1.00 0.00 N ATOM 725 CA LEU A 48 11.621 -12.443 95.176 1.00 0.00 C ATOM 726 C LEU A 48 11.441 -13.879 94.700 1.00 0.00 C ATOM 727 O LEU A 48 12.342 -14.482 94.156 1.00 0.00 O ATOM 728 CB LEU A 48 12.802 -12.355 96.128 1.00 0.00 C ATOM 729 CG LEU A 48 13.176 -10.881 96.419 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.425 -9.888 95.513 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.864 -10.547 97.880 1.00 0.00 C ATOM 0 H LEU A 48 9.967 -11.128 95.394 1.00 0.00 H new ATOM 0 HA LEU A 48 11.807 -11.824 94.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.559 -12.863 97.061 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.659 -12.873 95.697 1.00 0.00 H new ATOM 0 HG LEU A 48 14.242 -10.779 96.216 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.726 -8.870 95.761 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.665 -10.094 94.470 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.351 -9.996 95.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.129 -9.509 98.080 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.800 -10.693 98.067 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.441 -11.201 98.534 1.00 0.00 H new ATOM 743 N GLU A 49 10.288 -14.421 94.877 1.00 0.00 N ATOM 744 CA GLU A 49 10.040 -15.807 94.400 1.00 0.00 C ATOM 745 C GLU A 49 9.328 -15.754 93.044 1.00 0.00 C ATOM 746 O GLU A 49 9.569 -16.560 92.166 1.00 0.00 O ATOM 747 CB GLU A 49 9.166 -16.558 95.403 1.00 0.00 C ATOM 748 CG GLU A 49 8.146 -15.599 96.011 1.00 0.00 C ATOM 749 CD GLU A 49 7.193 -16.375 96.922 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.669 -17.226 97.656 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.005 -16.108 96.869 1.00 0.00 O ATOM 0 H GLU A 49 9.495 -13.969 95.333 1.00 0.00 H new ATOM 0 HA GLU A 49 10.992 -16.327 94.299 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.654 -17.384 94.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.786 -16.991 96.188 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.656 -14.821 96.579 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.585 -15.100 95.221 1.00 0.00 H new ATOM 758 N ILE A 50 8.429 -14.822 92.886 1.00 0.00 N ATOM 759 CA ILE A 50 7.660 -14.717 91.614 1.00 0.00 C ATOM 760 C ILE A 50 8.566 -14.382 90.432 1.00 0.00 C ATOM 761 O ILE A 50 8.386 -14.893 89.346 1.00 0.00 O ATOM 762 CB ILE A 50 6.600 -13.623 91.750 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.824 -13.821 93.077 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.667 -13.688 90.538 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.302 -13.805 92.865 1.00 0.00 C ATOM 0 H ILE A 50 8.192 -14.123 93.590 1.00 0.00 H new ATOM 0 HA ILE A 50 7.194 -15.684 91.426 1.00 0.00 H new ATOM 0 HB ILE A 50 7.064 -12.637 91.777 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.117 -14.769 93.530 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.100 -13.034 93.779 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.906 -12.912 90.623 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.244 -13.532 89.626 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.186 -14.666 90.501 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.800 -13.947 93.822 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.004 -12.847 92.438 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.021 -14.609 92.185 1.00 0.00 H new ATOM 777 N LEU A 51 9.520 -13.524 90.610 1.00 0.00 N ATOM 778 CA LEU A 51 10.382 -13.178 89.460 1.00 0.00 C ATOM 779 C LEU A 51 11.083 -14.445 88.964 1.00 0.00 C ATOM 780 O LEU A 51 11.043 -14.773 87.800 1.00 0.00 O ATOM 781 CB LEU A 51 11.421 -12.080 89.800 1.00 0.00 C ATOM 782 CG LEU A 51 11.714 -11.915 91.307 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.465 -11.504 92.099 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.309 -13.204 91.872 1.00 0.00 C ATOM 0 H LEU A 51 9.738 -13.053 91.488 1.00 0.00 H new ATOM 0 HA LEU A 51 9.747 -12.767 88.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.354 -12.310 89.285 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.066 -11.128 89.406 1.00 0.00 H new ATOM 0 HG LEU A 51 12.439 -11.108 91.414 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.721 -11.400 93.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.091 -10.552 91.721 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.695 -12.267 91.986 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.512 -13.076 92.935 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.602 -14.022 91.733 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.238 -13.435 91.351 1.00 0.00 H new ATOM 796 N GLU A 52 11.720 -15.156 89.838 1.00 0.00 N ATOM 797 CA GLU A 52 12.422 -16.406 89.435 1.00 0.00 C ATOM 798 C GLU A 52 11.427 -17.394 88.799 1.00 0.00 C ATOM 799 O GLU A 52 11.785 -18.175 87.944 1.00 0.00 O ATOM 800 CB GLU A 52 13.041 -17.058 90.686 1.00 0.00 C ATOM 801 CG GLU A 52 14.561 -16.835 90.721 1.00 0.00 C ATOM 802 CD GLU A 52 15.257 -17.908 89.879 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.719 -18.263 88.843 1.00 0.00 O ATOM 804 OE2 GLU A 52 16.314 -18.358 90.287 1.00 0.00 O ATOM 0 H GLU A 52 11.789 -14.926 90.829 1.00 0.00 H new ATOM 0 HA GLU A 52 13.198 -16.162 88.709 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.586 -16.638 91.583 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.825 -18.126 90.689 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.802 -15.844 90.337 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.921 -16.875 91.749 1.00 0.00 H new ATOM 811 N PHE A 53 10.199 -17.397 89.248 1.00 0.00 N ATOM 812 CA PHE A 53 9.198 -18.372 88.718 1.00 0.00 C ATOM 813 C PHE A 53 8.935 -18.197 87.223 1.00 0.00 C ATOM 814 O PHE A 53 9.334 -19.008 86.419 1.00 0.00 O ATOM 815 CB PHE A 53 7.871 -18.200 89.448 1.00 0.00 C ATOM 816 CG PHE A 53 6.801 -18.961 88.696 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.955 -20.333 88.461 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.669 -18.292 88.214 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.980 -21.036 87.743 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.692 -18.996 87.500 1.00 0.00 C ATOM 821 CZ PHE A 53 4.848 -20.368 87.265 1.00 0.00 C ATOM 0 H PHE A 53 9.844 -16.762 89.963 1.00 0.00 H new ATOM 0 HA PHE A 53 9.619 -19.364 88.881 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.951 -18.571 90.470 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.609 -17.144 89.512 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.827 -20.849 88.834 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.550 -17.234 88.393 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.102 -22.093 87.558 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.818 -18.481 87.130 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.094 -20.910 86.714 1.00 0.00 H new ATOM 831 N LEU A 54 8.211 -17.182 86.849 1.00 0.00 N ATOM 832 CA LEU A 54 7.886 -17.012 85.406 1.00 0.00 C ATOM 833 C LEU A 54 9.184 -16.919 84.608 1.00 0.00 C ATOM 834 O LEU A 54 9.246 -17.314 83.460 1.00 0.00 O ATOM 835 CB LEU A 54 7.010 -15.768 85.168 1.00 0.00 C ATOM 836 CG LEU A 54 6.985 -14.863 86.393 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.371 -14.270 86.622 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.987 -13.735 86.146 1.00 0.00 C ATOM 0 H LEU A 54 7.833 -16.468 87.472 1.00 0.00 H new ATOM 0 HA LEU A 54 7.313 -17.877 85.071 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.390 -15.212 84.311 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.994 -16.078 84.922 1.00 0.00 H new ATOM 0 HG LEU A 54 6.693 -15.438 87.272 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.350 -13.623 87.499 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.089 -15.074 86.782 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.667 -13.688 85.749 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.958 -13.078 87.015 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.293 -13.164 85.270 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.996 -14.156 85.976 1.00 0.00 H new ATOM 850 N LEU A 55 10.229 -16.437 85.215 1.00 0.00 N ATOM 851 CA LEU A 55 11.531 -16.366 84.496 1.00 0.00 C ATOM 852 C LEU A 55 12.000 -17.804 84.286 1.00 0.00 C ATOM 853 O LEU A 55 12.614 -18.146 83.295 1.00 0.00 O ATOM 854 CB LEU A 55 12.540 -15.594 85.354 1.00 0.00 C ATOM 855 CG LEU A 55 13.655 -15.011 84.479 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.613 -14.202 85.364 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.426 -16.141 83.779 1.00 0.00 C ATOM 0 H LEU A 55 10.240 -16.090 86.174 1.00 0.00 H new ATOM 0 HA LEU A 55 11.435 -15.852 83.539 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.032 -14.791 85.889 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.969 -16.257 86.106 1.00 0.00 H new ATOM 0 HG LEU A 55 13.217 -14.364 83.719 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.410 -13.783 84.749 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.066 -13.394 85.849 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.045 -14.854 86.123 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.215 -15.714 83.160 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.867 -16.798 84.528 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.743 -16.713 83.151 1.00 0.00 H new ATOM 869 N LEU A 56 11.668 -18.652 85.216 1.00 0.00 N ATOM 870 CA LEU A 56 12.027 -20.088 85.115 1.00 0.00 C ATOM 871 C LEU A 56 11.469 -20.611 83.798 1.00 0.00 C ATOM 872 O LEU A 56 12.157 -21.224 83.005 1.00 0.00 O ATOM 873 CB LEU A 56 11.372 -20.838 86.288 1.00 0.00 C ATOM 874 CG LEU A 56 12.261 -21.989 86.779 1.00 0.00 C ATOM 875 CD1 LEU A 56 12.676 -22.873 85.599 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.509 -21.429 87.479 1.00 0.00 C ATOM 0 H LEU A 56 11.152 -18.403 86.060 1.00 0.00 H new ATOM 0 HA LEU A 56 13.107 -20.231 85.151 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.186 -20.144 87.108 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.404 -21.230 85.977 1.00 0.00 H new ATOM 0 HG LEU A 56 11.696 -22.591 87.491 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.306 -23.687 85.958 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.786 -23.286 85.123 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.231 -22.276 84.875 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.133 -22.253 87.824 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.074 -20.814 86.778 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.206 -20.822 88.332 1.00 0.00 H new ATOM 888 N LYS A 57 10.219 -20.344 83.562 1.00 0.00 N ATOM 889 CA LYS A 57 9.579 -20.783 82.300 1.00 0.00 C ATOM 890 C LYS A 57 10.264 -20.054 81.146 1.00 0.00 C ATOM 891 O LYS A 57 11.399 -20.329 80.815 1.00 0.00 O ATOM 892 CB LYS A 57 8.093 -20.413 82.338 1.00 0.00 C ATOM 893 CG LYS A 57 7.357 -21.325 83.332 1.00 0.00 C ATOM 894 CD LYS A 57 6.911 -22.614 82.626 1.00 0.00 C ATOM 895 CE LYS A 57 6.907 -23.777 83.622 1.00 0.00 C ATOM 896 NZ LYS A 57 5.995 -23.455 84.756 1.00 0.00 N ATOM 0 H LYS A 57 9.607 -19.834 84.199 1.00 0.00 H new ATOM 0 HA LYS A 57 9.674 -21.861 82.171 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.976 -19.370 82.631 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.657 -20.516 81.344 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.011 -21.566 84.170 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.491 -20.806 83.742 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.915 -22.482 82.203 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.582 -22.836 81.797 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.581 -24.692 83.128 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.916 -23.956 83.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.764 -24.327 85.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.463 -22.784 85.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.121 -23.029 84.388 1.00 0.00 H new ATOM 910 N GLY A 58 9.598 -19.108 80.550 1.00 0.00 N ATOM 911 CA GLY A 58 10.232 -18.345 79.448 1.00 0.00 C ATOM 912 C GLY A 58 11.418 -17.577 80.031 1.00 0.00 C ATOM 913 O GLY A 58 12.203 -18.123 80.778 1.00 0.00 O ATOM 0 H GLY A 58 8.643 -18.832 80.779 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.565 -19.019 78.659 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.516 -17.657 78.999 1.00 0.00 H new ATOM 917 N ALA A 59 11.545 -16.312 79.726 1.00 0.00 N ATOM 918 CA ALA A 59 12.681 -15.526 80.299 1.00 0.00 C ATOM 919 C ALA A 59 12.706 -14.102 79.739 1.00 0.00 C ATOM 920 O ALA A 59 13.523 -13.766 78.907 1.00 0.00 O ATOM 921 CB ALA A 59 14.005 -16.224 79.984 1.00 0.00 C ATOM 0 H ALA A 59 10.919 -15.792 79.111 1.00 0.00 H new ATOM 0 HA ALA A 59 12.543 -15.468 81.379 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.829 -15.647 80.404 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.002 -17.223 80.420 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.128 -16.300 78.904 1.00 0.00 H new ATOM 927 N ASP A 60 11.837 -13.254 80.225 1.00 0.00 N ATOM 928 CA ASP A 60 11.823 -11.836 79.769 1.00 0.00 C ATOM 929 C ASP A 60 12.990 -11.123 80.445 1.00 0.00 C ATOM 930 O ASP A 60 13.162 -9.925 80.340 1.00 0.00 O ATOM 931 CB ASP A 60 10.498 -11.181 80.173 1.00 0.00 C ATOM 932 CG ASP A 60 10.263 -9.920 79.338 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.779 -10.049 78.226 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.569 -8.843 79.827 1.00 0.00 O ATOM 0 H ASP A 60 11.132 -13.487 80.924 1.00 0.00 H new ATOM 0 HA ASP A 60 11.920 -11.775 78.685 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.676 -11.882 80.027 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.516 -10.927 81.233 1.00 0.00 H new ATOM 939 N ILE A 61 13.789 -11.878 81.142 1.00 0.00 N ATOM 940 CA ILE A 61 14.968 -11.313 81.855 1.00 0.00 C ATOM 941 C ILE A 61 15.808 -10.465 80.901 1.00 0.00 C ATOM 942 O ILE A 61 16.574 -9.621 81.320 1.00 0.00 O ATOM 943 CB ILE A 61 15.816 -12.486 82.357 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.987 -11.974 83.200 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.365 -13.263 81.157 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.948 -13.134 83.510 1.00 0.00 C ATOM 0 H ILE A 61 13.672 -12.886 81.250 1.00 0.00 H new ATOM 0 HA ILE A 61 14.636 -10.684 82.681 1.00 0.00 H new ATOM 0 HB ILE A 61 15.192 -13.135 82.971 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.515 -11.185 82.665 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.617 -11.538 84.128 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.969 -14.099 81.510 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.536 -13.642 80.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.981 -12.602 80.547 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.780 -12.766 84.110 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.417 -13.909 84.063 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.329 -13.550 82.577 1.00 0.00 H new ATOM 958 N ASN A 62 15.691 -10.704 79.626 1.00 0.00 N ATOM 959 CA ASN A 62 16.512 -9.940 78.638 1.00 0.00 C ATOM 960 C ASN A 62 15.657 -9.543 77.428 1.00 0.00 C ATOM 961 O ASN A 62 15.745 -8.440 76.922 1.00 0.00 O ATOM 962 CB ASN A 62 17.656 -10.844 78.168 1.00 0.00 C ATOM 963 CG ASN A 62 17.069 -12.107 77.534 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.090 -12.727 78.134 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.504 -12.530 76.484 1.00 0.00 N flip ATOM 0 H ASN A 62 15.061 -11.397 79.221 1.00 0.00 H new ATOM 0 HA ASN A 62 16.899 -9.034 79.105 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.280 -10.316 77.447 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.296 -11.109 79.010 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.269 -12.044 76.016 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.105 -13.372 76.069 1.00 0.00 H new ATOM 972 N ALA A 63 14.831 -10.453 76.980 1.00 0.00 N ATOM 973 CA ALA A 63 13.925 -10.217 75.804 1.00 0.00 C ATOM 974 C ALA A 63 13.672 -8.717 75.519 1.00 0.00 C ATOM 975 O ALA A 63 13.837 -8.289 74.392 1.00 0.00 O ATOM 976 CB ALA A 63 12.588 -10.921 76.063 1.00 0.00 C ATOM 0 H ALA A 63 14.741 -11.382 77.392 1.00 0.00 H new ATOM 0 HA ALA A 63 14.422 -10.622 74.923 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.921 -10.758 75.217 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.758 -11.990 76.190 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.133 -10.516 76.967 1.00 0.00 H new ATOM 982 N PRO A 64 13.270 -7.960 76.521 1.00 0.00 N ATOM 983 CA PRO A 64 12.975 -6.524 76.387 1.00 0.00 C ATOM 984 C PRO A 64 13.576 -5.868 75.134 1.00 0.00 C ATOM 985 O PRO A 64 14.738 -6.007 74.816 1.00 0.00 O ATOM 986 CB PRO A 64 13.526 -5.968 77.700 1.00 0.00 C ATOM 987 CG PRO A 64 13.424 -7.141 78.723 1.00 0.00 C ATOM 988 CD PRO A 64 13.096 -8.414 77.911 1.00 0.00 C ATOM 0 HA PRO A 64 11.915 -6.318 76.237 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.558 -5.637 77.584 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.950 -5.105 78.033 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.360 -7.261 79.268 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.648 -6.943 79.462 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.768 -9.236 78.156 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.081 -8.765 78.099 1.00 0.00 H new ATOM 996 N ASP A 65 12.737 -5.141 74.436 1.00 0.00 N ATOM 997 CA ASP A 65 13.139 -4.419 73.194 1.00 0.00 C ATOM 998 C ASP A 65 12.441 -3.058 73.217 1.00 0.00 C ATOM 999 O ASP A 65 13.016 -2.033 72.905 1.00 0.00 O ATOM 1000 CB ASP A 65 12.661 -5.206 71.969 1.00 0.00 C ATOM 1001 CG ASP A 65 13.631 -6.350 71.669 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.472 -6.624 72.507 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.515 -6.932 70.601 1.00 0.00 O ATOM 0 H ASP A 65 11.757 -5.016 74.688 1.00 0.00 H new ATOM 0 HA ASP A 65 14.222 -4.306 73.144 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.662 -5.603 72.149 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.590 -4.544 71.106 1.00 0.00 H new ATOM 1008 N LYS A 66 11.193 -3.058 73.603 1.00 0.00 N ATOM 1009 CA LYS A 66 10.407 -1.802 73.683 1.00 0.00 C ATOM 1010 C LYS A 66 10.657 -1.162 75.049 1.00 0.00 C ATOM 1011 O LYS A 66 10.645 0.041 75.207 1.00 0.00 O ATOM 1012 CB LYS A 66 8.929 -2.156 73.551 1.00 0.00 C ATOM 1013 CG LYS A 66 8.140 -0.933 73.093 1.00 0.00 C ATOM 1014 CD LYS A 66 8.058 0.108 74.224 1.00 0.00 C ATOM 1015 CE LYS A 66 6.699 0.813 74.186 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.302 1.047 72.771 1.00 0.00 N ATOM 0 H LYS A 66 10.678 -3.897 73.871 1.00 0.00 H new ATOM 0 HA LYS A 66 10.696 -1.109 72.893 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.803 -2.969 72.836 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.544 -2.510 74.507 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.617 -0.492 72.218 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.136 -1.232 72.792 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.198 -0.379 75.189 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.860 0.839 74.116 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.948 0.205 74.690 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.754 1.761 74.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.674 1.875 72.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.151 1.220 72.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.802 0.210 72.408 1.00 0.00 H new ATOM 1030 N HIS A 67 10.888 -1.981 76.030 1.00 0.00 N ATOM 1031 CA HIS A 67 11.149 -1.482 77.402 1.00 0.00 C ATOM 1032 C HIS A 67 12.606 -1.036 77.503 1.00 0.00 C ATOM 1033 O HIS A 67 13.055 -0.571 78.531 1.00 0.00 O ATOM 1034 CB HIS A 67 10.884 -2.627 78.375 1.00 0.00 C ATOM 1035 CG HIS A 67 9.664 -3.383 77.926 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.751 -4.563 77.206 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.324 -3.132 78.078 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.495 -4.975 76.952 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.587 -4.139 77.462 1.00 0.00 N ATOM 0 H HIS A 67 10.907 -2.997 75.936 1.00 0.00 H new ATOM 0 HA HIS A 67 10.505 -0.635 77.638 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.746 -3.293 78.415 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.735 -2.238 79.382 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.905 -2.282 78.597 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.251 -5.872 76.403 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.572 -4.221 77.411 1.00 0.00 H new ATOM 1047 N HIS A 68 13.334 -1.171 76.427 1.00 0.00 N ATOM 1048 CA HIS A 68 14.769 -0.761 76.416 1.00 0.00 C ATOM 1049 C HIS A 68 15.423 -1.063 77.760 1.00 0.00 C ATOM 1050 O HIS A 68 16.377 -0.416 78.147 1.00 0.00 O ATOM 1051 CB HIS A 68 14.865 0.740 76.147 1.00 0.00 C ATOM 1052 CG HIS A 68 14.193 1.052 74.843 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.726 0.658 73.629 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.028 1.714 74.547 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.892 1.083 72.663 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.839 1.734 73.168 1.00 0.00 N ATOM 0 H HIS A 68 12.992 -1.552 75.545 1.00 0.00 H new ATOM 0 HA HIS A 68 15.284 -1.320 75.635 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.392 1.297 76.956 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.910 1.050 76.115 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.360 2.153 75.273 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.053 0.918 71.608 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.065 2.154 72.654 1.00 0.00 H new ATOM 1064 N ILE A 69 14.929 -2.022 78.488 1.00 0.00 N ATOM 1065 CA ILE A 69 15.555 -2.313 79.799 1.00 0.00 C ATOM 1066 C ILE A 69 15.188 -3.707 80.291 1.00 0.00 C ATOM 1067 O ILE A 69 14.129 -4.230 80.008 1.00 0.00 O ATOM 1068 CB ILE A 69 15.072 -1.272 80.821 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.279 -0.657 81.535 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.127 -1.915 81.852 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.074 -1.742 82.276 1.00 0.00 C ATOM 0 H ILE A 69 14.132 -2.607 78.236 1.00 0.00 H new ATOM 0 HA ILE A 69 16.638 -2.267 79.685 1.00 0.00 H new ATOM 0 HB ILE A 69 14.523 -0.493 80.292 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.922 -0.157 80.811 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.943 0.103 82.241 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.798 -1.159 82.565 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.260 -2.333 81.340 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.653 -2.709 82.382 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.928 -1.288 82.778 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.432 -2.223 83.015 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.426 -2.487 81.562 1.00 0.00 H new ATOM 1083 N THR A 70 16.060 -4.280 81.067 1.00 0.00 N ATOM 1084 CA THR A 70 15.804 -5.619 81.650 1.00 0.00 C ATOM 1085 C THR A 70 15.353 -5.421 83.111 1.00 0.00 C ATOM 1086 O THR A 70 15.564 -4.363 83.672 1.00 0.00 O ATOM 1087 CB THR A 70 17.088 -6.440 81.545 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.116 -7.409 82.577 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.298 -5.506 81.647 1.00 0.00 C ATOM 0 H THR A 70 16.956 -3.867 81.326 1.00 0.00 H new ATOM 0 HA THR A 70 15.018 -6.158 81.120 1.00 0.00 H new ATOM 0 HB THR A 70 17.122 -6.954 80.585 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.303 -8.291 82.193 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.216 -6.090 81.572 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.265 -4.777 80.837 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.276 -4.985 82.604 1.00 0.00 H new ATOM 1097 N PRO A 71 14.684 -6.400 83.676 1.00 0.00 N ATOM 1098 CA PRO A 71 14.140 -6.274 85.046 1.00 0.00 C ATOM 1099 C PRO A 71 15.218 -6.222 86.153 1.00 0.00 C ATOM 1100 O PRO A 71 14.916 -5.832 87.262 1.00 0.00 O ATOM 1101 CB PRO A 71 13.228 -7.503 85.212 1.00 0.00 C ATOM 1102 CG PRO A 71 13.230 -8.264 83.858 1.00 0.00 C ATOM 1103 CD PRO A 71 14.393 -7.694 83.027 1.00 0.00 C ATOM 0 HA PRO A 71 13.613 -5.327 85.160 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.591 -8.145 86.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.217 -7.198 85.480 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.357 -9.335 84.017 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.282 -8.130 83.338 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.260 -8.355 83.045 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.113 -7.564 81.982 1.00 0.00 H new ATOM 1111 N LEU A 72 16.453 -6.607 85.920 1.00 0.00 N ATOM 1112 CA LEU A 72 17.415 -6.531 87.060 1.00 0.00 C ATOM 1113 C LEU A 72 17.440 -5.102 87.583 1.00 0.00 C ATOM 1114 O LEU A 72 17.478 -4.874 88.778 1.00 0.00 O ATOM 1115 CB LEU A 72 18.871 -6.941 86.705 1.00 0.00 C ATOM 1116 CG LEU A 72 19.003 -7.812 85.445 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.887 -8.860 85.345 1.00 0.00 C ATOM 1118 CD2 LEU A 72 19.019 -6.915 84.210 1.00 0.00 C ATOM 0 H LEU A 72 16.821 -6.954 85.034 1.00 0.00 H new ATOM 0 HA LEU A 72 17.061 -7.246 87.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.466 -6.038 86.570 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.298 -7.481 87.550 1.00 0.00 H new ATOM 0 HG LEU A 72 19.941 -8.363 85.509 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.023 -9.451 84.439 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.925 -9.516 86.215 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.920 -8.359 85.310 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.113 -7.530 83.315 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.092 -6.344 84.163 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.864 -6.229 84.269 1.00 0.00 H new ATOM 1130 N LEU A 73 17.421 -4.135 86.710 1.00 0.00 N ATOM 1131 CA LEU A 73 17.450 -2.729 87.191 1.00 0.00 C ATOM 1132 C LEU A 73 16.108 -2.393 87.844 1.00 0.00 C ATOM 1133 O LEU A 73 16.018 -1.520 88.683 1.00 0.00 O ATOM 1134 CB LEU A 73 17.742 -1.770 86.033 1.00 0.00 C ATOM 1135 CG LEU A 73 19.092 -2.140 85.388 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.892 -3.236 84.329 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.723 -0.892 84.741 1.00 0.00 C ATOM 0 H LEU A 73 17.387 -4.255 85.698 1.00 0.00 H new ATOM 0 HA LEU A 73 18.246 -2.616 87.927 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.945 -1.825 85.291 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.769 -0.742 86.396 1.00 0.00 H new ATOM 0 HG LEU A 73 19.761 -2.518 86.162 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.853 -3.489 83.881 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.467 -4.123 84.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.214 -2.875 83.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.677 -1.160 84.287 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.053 -0.502 83.975 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.886 -0.130 85.503 1.00 0.00 H new ATOM 1149 N SER A 74 15.068 -3.090 87.487 1.00 0.00 N ATOM 1150 CA SER A 74 13.749 -2.815 88.112 1.00 0.00 C ATOM 1151 C SER A 74 13.881 -2.984 89.624 1.00 0.00 C ATOM 1152 O SER A 74 13.440 -2.157 90.403 1.00 0.00 O ATOM 1153 CB SER A 74 12.708 -3.796 87.565 1.00 0.00 C ATOM 1154 OG SER A 74 11.425 -3.466 88.081 1.00 0.00 O ATOM 0 H SER A 74 15.075 -3.836 86.791 1.00 0.00 H new ATOM 0 HA SER A 74 13.429 -1.799 87.882 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.694 -3.757 86.476 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.972 -4.816 87.844 1.00 0.00 H new ATOM 0 HG SER A 74 10.825 -3.233 87.342 1.00 0.00 H new ATOM 1160 N ALA A 75 14.502 -4.052 90.039 1.00 0.00 N ATOM 1161 CA ALA A 75 14.689 -4.292 91.499 1.00 0.00 C ATOM 1162 C ALA A 75 15.724 -3.313 92.051 1.00 0.00 C ATOM 1163 O ALA A 75 15.632 -2.865 93.175 1.00 0.00 O ATOM 1164 CB ALA A 75 15.175 -5.723 91.719 1.00 0.00 C ATOM 0 H ALA A 75 14.890 -4.772 89.429 1.00 0.00 H new ATOM 0 HA ALA A 75 13.740 -4.145 92.015 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.312 -5.901 92.786 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.437 -6.422 91.327 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.123 -5.869 91.202 1.00 0.00 H new ATOM 1170 N VAL A 76 16.712 -2.985 91.269 1.00 0.00 N ATOM 1171 CA VAL A 76 17.762 -2.044 91.745 1.00 0.00 C ATOM 1172 C VAL A 76 17.109 -0.865 92.484 1.00 0.00 C ATOM 1173 O VAL A 76 17.233 -0.741 93.686 1.00 0.00 O ATOM 1174 CB VAL A 76 18.573 -1.558 90.534 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.396 -0.312 90.876 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.526 -2.676 90.093 1.00 0.00 C ATOM 0 H VAL A 76 16.838 -3.329 90.317 1.00 0.00 H new ATOM 0 HA VAL A 76 18.432 -2.546 92.443 1.00 0.00 H new ATOM 0 HB VAL A 76 17.877 -1.302 89.735 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.958 0.005 89.997 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.728 0.490 91.189 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.089 -0.544 91.685 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.107 -2.341 89.233 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.201 -2.923 90.913 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.949 -3.559 89.819 1.00 0.00 H new ATOM 1186 N TYR A 77 16.413 -0.002 91.788 1.00 0.00 N ATOM 1187 CA TYR A 77 15.758 1.152 92.483 1.00 0.00 C ATOM 1188 C TYR A 77 14.514 0.650 93.226 1.00 0.00 C ATOM 1189 O TYR A 77 13.434 1.190 93.085 1.00 0.00 O ATOM 1190 CB TYR A 77 15.351 2.229 91.460 1.00 0.00 C ATOM 1191 CG TYR A 77 16.134 2.058 90.185 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.661 1.196 89.191 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.326 2.765 89.993 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.376 1.043 88.001 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.043 2.611 88.802 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.570 1.749 87.807 1.00 0.00 C ATOM 1197 OH TYR A 77 18.276 1.604 86.632 1.00 0.00 O ATOM 0 H TYR A 77 16.270 -0.044 90.779 1.00 0.00 H new ATOM 0 HA TYR A 77 16.461 1.591 93.192 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.283 2.158 91.252 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.530 3.221 91.875 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.743 0.648 89.343 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.692 3.428 90.763 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.008 0.381 87.231 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.962 3.158 88.651 1.00 0.00 H new ATOM 0 HH TYR A 77 18.488 2.488 86.267 1.00 0.00 H new ATOM 1207 N GLU A 78 14.654 -0.388 94.009 1.00 0.00 N ATOM 1208 CA GLU A 78 13.475 -0.933 94.750 1.00 0.00 C ATOM 1209 C GLU A 78 13.842 -1.139 96.221 1.00 0.00 C ATOM 1210 O GLU A 78 13.012 -1.032 97.103 1.00 0.00 O ATOM 1211 CB GLU A 78 13.091 -2.285 94.132 1.00 0.00 C ATOM 1212 CG GLU A 78 11.621 -2.619 94.415 1.00 0.00 C ATOM 1213 CD GLU A 78 11.208 -2.104 95.794 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.798 -0.958 95.878 1.00 0.00 O ATOM 1215 OE2 GLU A 78 11.306 -2.864 96.743 1.00 0.00 O ATOM 0 H GLU A 78 15.532 -0.882 94.168 1.00 0.00 H new ATOM 0 HA GLU A 78 12.640 -0.235 94.682 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.261 -2.259 93.056 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.731 -3.069 94.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.987 -2.172 93.649 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.471 -3.697 94.364 1.00 0.00 H new ATOM 1222 N GLY A 79 15.072 -1.459 96.490 1.00 0.00 N ATOM 1223 CA GLY A 79 15.484 -1.705 97.896 1.00 0.00 C ATOM 1224 C GLY A 79 15.378 -3.202 98.146 1.00 0.00 C ATOM 1225 O GLY A 79 15.756 -3.712 99.184 1.00 0.00 O ATOM 0 H GLY A 79 15.812 -1.561 95.796 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.504 -1.359 98.063 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.844 -1.154 98.585 1.00 0.00 H new ATOM 1229 N HIS A 80 14.874 -3.915 97.174 1.00 0.00 N ATOM 1230 CA HIS A 80 14.747 -5.384 97.312 1.00 0.00 C ATOM 1231 C HIS A 80 16.098 -6.003 96.962 1.00 0.00 C ATOM 1232 O HIS A 80 16.696 -6.699 97.756 1.00 0.00 O ATOM 1233 CB HIS A 80 13.664 -5.888 96.345 1.00 0.00 C ATOM 1234 CG HIS A 80 12.343 -5.949 97.063 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.412 -6.949 96.828 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.787 -5.140 98.024 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.356 -6.716 97.628 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.531 -5.626 98.378 1.00 0.00 N ATOM 0 H HIS A 80 14.544 -3.535 96.287 1.00 0.00 H new ATOM 0 HA HIS A 80 14.463 -5.660 98.328 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.592 -5.224 95.484 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.930 -6.874 95.965 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.253 -4.260 98.442 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.473 -7.336 97.660 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.884 -5.234 99.063 1.00 0.00 H new ATOM 1246 N VAL A 81 16.585 -5.733 95.775 1.00 0.00 N ATOM 1247 CA VAL A 81 17.908 -6.281 95.342 1.00 0.00 C ATOM 1248 C VAL A 81 18.123 -7.701 95.882 1.00 0.00 C ATOM 1249 O VAL A 81 19.198 -8.262 95.781 1.00 0.00 O ATOM 1250 CB VAL A 81 19.042 -5.338 95.784 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.242 -4.252 94.717 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.669 -4.654 97.107 1.00 0.00 C ATOM 0 H VAL A 81 16.117 -5.150 95.081 1.00 0.00 H new ATOM 0 HA VAL A 81 17.917 -6.343 94.254 1.00 0.00 H new ATOM 0 HB VAL A 81 19.955 -5.919 95.913 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.044 -3.582 95.026 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.504 -4.719 93.768 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.320 -3.683 94.599 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.476 -3.989 97.413 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.754 -4.077 96.973 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.511 -5.410 97.876 1.00 0.00 H new ATOM 1262 N SER A 82 17.102 -8.314 96.406 1.00 0.00 N ATOM 1263 CA SER A 82 17.248 -9.714 96.878 1.00 0.00 C ATOM 1264 C SER A 82 17.114 -10.609 95.643 1.00 0.00 C ATOM 1265 O SER A 82 17.647 -11.701 95.572 1.00 0.00 O ATOM 1266 CB SER A 82 16.147 -10.031 97.890 1.00 0.00 C ATOM 1267 OG SER A 82 16.634 -9.787 99.202 1.00 0.00 O ATOM 0 H SER A 82 16.175 -7.907 96.527 1.00 0.00 H new ATOM 0 HA SER A 82 18.208 -9.874 97.368 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.269 -9.415 97.695 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.835 -11.071 97.792 1.00 0.00 H new ATOM 0 HG SER A 82 15.931 -9.987 99.854 1.00 0.00 H new ATOM 1273 N CYS A 83 16.408 -10.118 94.659 1.00 0.00 N ATOM 1274 CA CYS A 83 16.216 -10.878 93.397 1.00 0.00 C ATOM 1275 C CYS A 83 17.449 -10.687 92.515 1.00 0.00 C ATOM 1276 O CYS A 83 17.986 -11.628 91.970 1.00 0.00 O ATOM 1277 CB CYS A 83 14.980 -10.333 92.676 1.00 0.00 C ATOM 1278 SG CYS A 83 14.735 -8.598 93.135 1.00 0.00 S ATOM 0 H CYS A 83 15.950 -9.207 94.681 1.00 0.00 H new ATOM 0 HA CYS A 83 16.078 -11.938 93.609 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.106 -10.421 91.597 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.101 -10.919 92.943 1.00 0.00 H new ATOM 0 HG CYS A 83 13.688 -8.131 92.523 1.00 0.00 H new ATOM 1284 N VAL A 84 17.905 -9.470 92.383 1.00 0.00 N ATOM 1285 CA VAL A 84 19.111 -9.202 91.548 1.00 0.00 C ATOM 1286 C VAL A 84 20.150 -10.301 91.788 1.00 0.00 C ATOM 1287 O VAL A 84 20.746 -10.820 90.865 1.00 0.00 O ATOM 1288 CB VAL A 84 19.718 -7.856 91.948 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.703 -6.735 91.710 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.106 -7.903 93.421 1.00 0.00 C ATOM 0 H VAL A 84 17.492 -8.646 92.820 1.00 0.00 H new ATOM 0 HA VAL A 84 18.825 -9.183 90.496 1.00 0.00 H new ATOM 0 HB VAL A 84 20.604 -7.660 91.344 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.142 -5.780 91.997 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.432 -6.707 90.655 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.811 -6.919 92.309 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.540 -6.947 93.714 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.220 -8.100 94.025 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.836 -8.696 93.580 1.00 0.00 H new ATOM 1300 N LYS A 85 20.376 -10.649 93.024 1.00 0.00 N ATOM 1301 CA LYS A 85 21.383 -11.700 93.333 1.00 0.00 C ATOM 1302 C LYS A 85 21.078 -12.990 92.546 1.00 0.00 C ATOM 1303 O LYS A 85 21.707 -13.290 91.543 1.00 0.00 O ATOM 1304 CB LYS A 85 21.341 -11.971 94.846 1.00 0.00 C ATOM 1305 CG LYS A 85 22.754 -12.231 95.383 1.00 0.00 C ATOM 1306 CD LYS A 85 22.717 -12.241 96.915 1.00 0.00 C ATOM 1307 CE LYS A 85 24.142 -12.207 97.470 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.129 -12.706 98.874 1.00 0.00 N ATOM 0 H LYS A 85 19.905 -10.249 93.835 1.00 0.00 H new ATOM 0 HA LYS A 85 22.377 -11.362 93.040 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.900 -11.118 95.362 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.704 -12.831 95.050 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.128 -13.185 95.010 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.438 -11.460 95.029 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.155 -11.381 97.280 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.201 -13.133 97.269 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.799 -12.824 96.857 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.535 -11.191 97.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.095 -12.686 99.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.513 -12.099 99.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.769 -13.682 98.892 1.00 0.00 H new ATOM 1322 N LEU A 86 20.135 -13.773 92.994 1.00 0.00 N ATOM 1323 CA LEU A 86 19.837 -15.037 92.260 1.00 0.00 C ATOM 1324 C LEU A 86 19.353 -14.729 90.844 1.00 0.00 C ATOM 1325 O LEU A 86 19.068 -15.625 90.073 1.00 0.00 O ATOM 1326 CB LEU A 86 18.815 -15.913 93.011 1.00 0.00 C ATOM 1327 CG LEU A 86 17.486 -15.192 93.277 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.706 -13.997 94.204 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.842 -14.732 91.963 1.00 0.00 C ATOM 0 H LEU A 86 19.566 -13.598 93.822 1.00 0.00 H new ATOM 0 HA LEU A 86 20.763 -15.608 92.198 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.622 -16.815 92.430 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.246 -16.231 93.961 1.00 0.00 H new ATOM 0 HG LEU A 86 16.809 -15.895 93.763 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.755 -13.496 94.383 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.118 -14.343 95.152 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.402 -13.299 93.739 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.902 -14.224 92.177 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.516 -14.047 91.448 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.650 -15.598 91.329 1.00 0.00 H new ATOM 1341 N LEU A 87 19.271 -13.476 90.480 1.00 0.00 N ATOM 1342 CA LEU A 87 18.821 -13.150 89.102 1.00 0.00 C ATOM 1343 C LEU A 87 19.936 -13.570 88.165 1.00 0.00 C ATOM 1344 O LEU A 87 19.725 -13.881 87.011 1.00 0.00 O ATOM 1345 CB LEU A 87 18.585 -11.640 88.967 1.00 0.00 C ATOM 1346 CG LEU A 87 17.215 -11.373 88.343 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.946 -9.862 88.334 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.176 -11.916 86.909 1.00 0.00 C ATOM 0 H LEU A 87 19.494 -12.676 91.072 1.00 0.00 H new ATOM 0 HA LEU A 87 17.889 -13.664 88.869 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.645 -11.166 89.947 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.366 -11.196 88.350 1.00 0.00 H new ATOM 0 HG LEU A 87 16.447 -11.876 88.931 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.970 -9.669 87.889 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.961 -9.484 89.356 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.716 -9.359 87.750 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.196 -11.721 86.473 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.943 -11.423 86.312 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.360 -12.990 86.922 1.00 0.00 H new ATOM 1360 N LEU A 88 21.128 -13.592 88.679 1.00 0.00 N ATOM 1361 CA LEU A 88 22.281 -14.001 87.863 1.00 0.00 C ATOM 1362 C LEU A 88 22.314 -15.518 87.821 1.00 0.00 C ATOM 1363 O LEU A 88 22.820 -16.118 86.892 1.00 0.00 O ATOM 1364 CB LEU A 88 23.578 -13.476 88.480 1.00 0.00 C ATOM 1365 CG LEU A 88 23.357 -12.064 89.041 1.00 0.00 C ATOM 1366 CD1 LEU A 88 24.365 -11.805 90.161 1.00 0.00 C ATOM 1367 CD2 LEU A 88 23.551 -11.032 87.924 1.00 0.00 C ATOM 0 H LEU A 88 21.349 -13.340 89.642 1.00 0.00 H new ATOM 0 HA LEU A 88 22.188 -13.592 86.857 1.00 0.00 H new ATOM 0 HB2 LEU A 88 23.909 -14.144 89.275 1.00 0.00 H new ATOM 0 HB3 LEU A 88 24.367 -13.459 87.728 1.00 0.00 H new ATOM 0 HG LEU A 88 22.344 -11.980 89.435 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.213 -10.803 90.563 1.00 0.00 H new ATOM 0 HD12 LEU A 88 24.225 -12.540 90.954 1.00 0.00 H new ATOM 0 HD13 LEU A 88 25.377 -11.887 89.765 1.00 0.00 H new ATOM 0 HD21 LEU A 88 23.394 -10.030 88.323 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.564 -11.110 87.528 1.00 0.00 H new ATOM 0 HD23 LEU A 88 22.834 -11.221 87.125 1.00 0.00 H new ATOM 1379 N SER A 89 21.751 -16.148 88.818 1.00 0.00 N ATOM 1380 CA SER A 89 21.726 -17.632 88.820 1.00 0.00 C ATOM 1381 C SER A 89 21.161 -18.076 87.470 1.00 0.00 C ATOM 1382 O SER A 89 21.194 -19.241 87.106 1.00 0.00 O ATOM 1383 CB SER A 89 20.828 -18.134 89.958 1.00 0.00 C ATOM 1384 OG SER A 89 21.007 -19.535 90.120 1.00 0.00 O ATOM 0 H SER A 89 21.312 -15.700 89.623 1.00 0.00 H new ATOM 0 HA SER A 89 22.726 -18.039 88.972 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.073 -17.616 90.885 1.00 0.00 H new ATOM 0 HB3 SER A 89 19.784 -17.913 89.736 1.00 0.00 H new ATOM 0 HG SER A 89 21.145 -19.951 89.243 1.00 0.00 H new ATOM 1390 N LYS A 90 20.654 -17.125 86.723 1.00 0.00 N ATOM 1391 CA LYS A 90 20.083 -17.415 85.381 1.00 0.00 C ATOM 1392 C LYS A 90 20.935 -16.719 84.311 1.00 0.00 C ATOM 1393 O LYS A 90 20.955 -17.116 83.162 1.00 0.00 O ATOM 1394 CB LYS A 90 18.656 -16.877 85.345 1.00 0.00 C ATOM 1395 CG LYS A 90 17.770 -17.781 86.199 1.00 0.00 C ATOM 1396 CD LYS A 90 16.460 -17.062 86.539 1.00 0.00 C ATOM 1397 CE LYS A 90 16.657 -16.151 87.754 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.467 -16.857 88.785 1.00 0.00 N ATOM 0 H LYS A 90 20.614 -16.143 86.997 1.00 0.00 H new ATOM 0 HA LYS A 90 20.079 -18.487 85.186 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.628 -15.855 85.722 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.289 -16.848 84.319 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.558 -18.707 85.664 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.292 -18.055 87.116 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.127 -16.473 85.684 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.679 -17.793 86.746 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.157 -15.230 87.453 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.690 -15.868 88.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.402 -16.345 89.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.105 -17.824 88.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.460 -16.895 88.480 1.00 0.00 H new ATOM 1412 N GLY A 91 21.645 -15.686 84.688 1.00 0.00 N ATOM 1413 CA GLY A 91 22.505 -14.950 83.712 1.00 0.00 C ATOM 1414 C GLY A 91 22.200 -13.449 83.793 1.00 0.00 C ATOM 1415 O GLY A 91 22.765 -12.729 84.592 1.00 0.00 O ATOM 0 H GLY A 91 21.666 -15.318 85.639 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.558 -15.130 83.930 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.322 -15.315 82.702 1.00 0.00 H new ATOM 1419 N ALA A 92 21.292 -12.982 82.982 1.00 0.00 N ATOM 1420 CA ALA A 92 20.912 -11.535 83.005 1.00 0.00 C ATOM 1421 C ALA A 92 22.134 -10.620 82.876 1.00 0.00 C ATOM 1422 O ALA A 92 21.989 -9.416 82.820 1.00 0.00 O ATOM 1423 CB ALA A 92 20.222 -11.226 84.339 1.00 0.00 C ATOM 0 H ALA A 92 20.790 -13.545 82.296 1.00 0.00 H new ATOM 0 HA ALA A 92 20.251 -11.350 82.158 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.940 -10.173 84.368 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.329 -11.844 84.439 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.905 -11.441 85.160 1.00 0.00 H new ATOM 1429 N ASP A 93 23.329 -11.144 82.844 1.00 0.00 N ATOM 1430 CA ASP A 93 24.508 -10.234 82.740 1.00 0.00 C ATOM 1431 C ASP A 93 24.269 -9.044 83.663 1.00 0.00 C ATOM 1432 O ASP A 93 24.064 -9.202 84.850 1.00 0.00 O ATOM 1433 CB ASP A 93 24.646 -9.750 81.296 1.00 0.00 C ATOM 1434 CG ASP A 93 25.966 -8.996 81.126 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.939 -9.398 81.740 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.981 -8.029 80.381 1.00 0.00 O ATOM 0 H ASP A 93 23.540 -12.141 82.884 1.00 0.00 H new ATOM 0 HA ASP A 93 25.422 -10.754 83.027 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.611 -10.599 80.613 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.810 -9.100 81.039 1.00 0.00 H new ATOM 1441 N LYS A 94 24.270 -7.858 83.137 1.00 0.00 N ATOM 1442 CA LYS A 94 24.015 -6.679 84.001 1.00 0.00 C ATOM 1443 C LYS A 94 23.689 -5.464 83.127 1.00 0.00 C ATOM 1444 O LYS A 94 22.932 -4.597 83.512 1.00 0.00 O ATOM 1445 CB LYS A 94 25.245 -6.403 84.866 1.00 0.00 C ATOM 1446 CG LYS A 94 25.010 -5.146 85.706 1.00 0.00 C ATOM 1447 CD LYS A 94 23.859 -5.372 86.709 1.00 0.00 C ATOM 1448 CE LYS A 94 22.571 -4.677 86.229 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.767 -4.242 87.407 1.00 0.00 N ATOM 0 H LYS A 94 24.435 -7.653 82.152 1.00 0.00 H new ATOM 0 HA LYS A 94 23.165 -6.878 84.654 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.444 -7.255 85.516 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.124 -6.272 84.235 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.922 -4.885 86.243 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.772 -4.305 85.054 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.679 -6.440 86.828 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.143 -4.986 87.688 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.820 -3.816 85.608 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.988 -5.358 85.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.413 -3.277 87.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.963 -4.889 87.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.364 -4.256 88.259 1.00 0.00 H new ATOM 1463 N THR A 95 24.250 -5.398 81.947 1.00 0.00 N ATOM 1464 CA THR A 95 23.971 -4.244 81.041 1.00 0.00 C ATOM 1465 C THR A 95 23.577 -4.781 79.667 1.00 0.00 C ATOM 1466 O THR A 95 24.073 -4.344 78.648 1.00 0.00 O ATOM 1467 CB THR A 95 25.224 -3.373 80.908 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.365 -4.205 80.740 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.394 -2.518 82.165 1.00 0.00 C ATOM 0 H THR A 95 24.891 -6.096 81.571 1.00 0.00 H new ATOM 0 HA THR A 95 23.161 -3.642 81.453 1.00 0.00 H new ATOM 0 HB THR A 95 25.119 -2.721 80.041 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.166 -3.648 80.653 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.286 -1.900 82.067 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.521 -1.878 82.290 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.496 -3.167 83.035 1.00 0.00 H new ATOM 1477 N VAL A 96 22.695 -5.739 79.635 1.00 0.00 N ATOM 1478 CA VAL A 96 22.273 -6.319 78.337 1.00 0.00 C ATOM 1479 C VAL A 96 21.238 -5.403 77.668 1.00 0.00 C ATOM 1480 O VAL A 96 20.837 -5.638 76.548 1.00 0.00 O ATOM 1481 CB VAL A 96 21.678 -7.720 78.586 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.633 -8.066 77.517 1.00 0.00 C ATOM 1483 CG2 VAL A 96 22.802 -8.766 78.550 1.00 0.00 C ATOM 0 H VAL A 96 22.248 -6.145 80.457 1.00 0.00 H new ATOM 0 HA VAL A 96 23.132 -6.407 77.671 1.00 0.00 H new ATOM 0 HB VAL A 96 21.194 -7.722 79.563 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.227 -9.058 77.713 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.827 -7.332 77.545 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.101 -8.053 76.533 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.383 -9.757 78.726 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.287 -8.745 77.574 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.535 -8.539 79.324 1.00 0.00 H new ATOM 1493 N LYS A 97 20.800 -4.357 78.325 1.00 0.00 N ATOM 1494 CA LYS A 97 19.799 -3.464 77.663 1.00 0.00 C ATOM 1495 C LYS A 97 19.738 -2.078 78.324 1.00 0.00 C ATOM 1496 O LYS A 97 19.103 -1.180 77.809 1.00 0.00 O ATOM 1497 CB LYS A 97 18.415 -4.117 77.722 1.00 0.00 C ATOM 1498 CG LYS A 97 17.511 -3.541 76.611 1.00 0.00 C ATOM 1499 CD LYS A 97 17.265 -4.587 75.512 1.00 0.00 C ATOM 1500 CE LYS A 97 18.430 -4.578 74.521 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.205 -5.624 73.485 1.00 0.00 N ATOM 0 H LYS A 97 21.083 -4.087 79.267 1.00 0.00 H new ATOM 0 HA LYS A 97 20.111 -3.326 76.628 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.508 -5.197 77.603 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.962 -3.941 78.698 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.559 -3.224 77.038 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.977 -2.655 76.179 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.160 -5.577 75.956 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.332 -4.370 74.993 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.515 -3.598 74.052 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.368 -4.764 75.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.996 -5.620 72.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.144 -6.557 73.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.318 -5.427 72.980 1.00 0.00 H new ATOM 1515 N GLY A 98 20.383 -1.877 79.441 1.00 0.00 N ATOM 1516 CA GLY A 98 20.333 -0.527 80.075 1.00 0.00 C ATOM 1517 C GLY A 98 21.134 0.437 79.201 1.00 0.00 C ATOM 1518 O GLY A 98 21.759 0.015 78.250 1.00 0.00 O ATOM 0 H GLY A 98 20.935 -2.577 79.937 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.301 -0.188 80.169 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.749 -0.563 81.082 1.00 0.00 H new ATOM 1522 N PRO A 99 21.124 1.699 79.548 1.00 0.00 N ATOM 1523 CA PRO A 99 21.884 2.701 78.788 1.00 0.00 C ATOM 1524 C PRO A 99 23.322 2.215 78.666 1.00 0.00 C ATOM 1525 O PRO A 99 23.729 1.684 77.650 1.00 0.00 O ATOM 1526 CB PRO A 99 21.785 3.990 79.625 1.00 0.00 C ATOM 1527 CG PRO A 99 20.830 3.699 80.815 1.00 0.00 C ATOM 1528 CD PRO A 99 20.379 2.228 80.705 1.00 0.00 C ATOM 0 HA PRO A 99 21.510 2.870 77.778 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.769 4.289 79.987 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.404 4.812 79.020 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.337 3.874 81.764 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.969 4.366 80.786 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.611 1.673 81.614 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.302 2.153 80.552 1.00 0.00 H new ATOM 1536 N ASP A 100 24.082 2.369 79.703 1.00 0.00 N ATOM 1537 CA ASP A 100 25.485 1.896 79.668 1.00 0.00 C ATOM 1538 C ASP A 100 25.902 1.468 81.072 1.00 0.00 C ATOM 1539 O ASP A 100 25.287 0.616 81.689 1.00 0.00 O ATOM 1540 CB ASP A 100 26.396 3.021 79.176 1.00 0.00 C ATOM 1541 CG ASP A 100 27.806 2.472 78.954 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.037 1.899 77.902 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.629 2.632 79.839 1.00 0.00 O ATOM 0 H ASP A 100 23.792 2.804 80.579 1.00 0.00 H new ATOM 0 HA ASP A 100 25.571 1.049 78.988 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.007 3.440 78.248 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.420 3.830 79.906 1.00 0.00 H new ATOM 1548 N GLY A 101 26.938 2.051 81.582 1.00 0.00 N ATOM 1549 CA GLY A 101 27.404 1.674 82.940 1.00 0.00 C ATOM 1550 C GLY A 101 26.326 2.005 83.971 1.00 0.00 C ATOM 1551 O GLY A 101 26.511 1.812 85.164 1.00 0.00 O ATOM 0 H GLY A 101 27.487 2.775 81.119 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.635 0.609 82.972 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.324 2.207 83.179 1.00 0.00 H new ATOM 1555 N LEU A 102 25.188 2.482 83.543 1.00 0.00 N ATOM 1556 CA LEU A 102 24.142 2.801 84.542 1.00 0.00 C ATOM 1557 C LEU A 102 23.963 1.592 85.426 1.00 0.00 C ATOM 1558 O LEU A 102 24.292 1.609 86.593 1.00 0.00 O ATOM 1559 CB LEU A 102 22.807 3.143 83.864 1.00 0.00 C ATOM 1560 CG LEU A 102 21.775 3.645 84.901 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.446 3.947 84.203 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.524 2.596 85.991 1.00 0.00 C ATOM 0 H LEU A 102 24.945 2.659 82.568 1.00 0.00 H new ATOM 0 HA LEU A 102 24.450 3.671 85.122 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.966 3.908 83.103 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.417 2.262 83.354 1.00 0.00 H new ATOM 0 HG LEU A 102 22.180 4.546 85.362 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.722 4.300 84.937 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.599 4.715 83.445 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.070 3.040 83.729 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.794 2.980 86.704 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.141 1.683 85.536 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.458 2.379 86.509 1.00 0.00 H new ATOM 1574 N THR A 103 23.422 0.546 84.881 1.00 0.00 N ATOM 1575 CA THR A 103 23.194 -0.662 85.702 1.00 0.00 C ATOM 1576 C THR A 103 23.169 -0.246 87.172 1.00 0.00 C ATOM 1577 O THR A 103 22.257 0.423 87.624 1.00 0.00 O ATOM 1578 CB THR A 103 24.315 -1.671 85.461 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.422 -2.532 86.583 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.630 -0.928 85.253 1.00 0.00 C ATOM 0 H THR A 103 23.129 0.477 83.906 1.00 0.00 H new ATOM 0 HA THR A 103 22.247 -1.128 85.431 1.00 0.00 H new ATOM 0 HB THR A 103 24.092 -2.262 84.573 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.367 -2.716 86.765 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.431 -1.647 85.081 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.543 -0.269 84.390 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.858 -0.336 86.140 1.00 0.00 H new ATOM 1588 N ALA A 104 24.164 -0.616 87.921 1.00 0.00 N ATOM 1589 CA ALA A 104 24.191 -0.241 89.362 1.00 0.00 C ATOM 1590 C ALA A 104 25.000 1.048 89.581 1.00 0.00 C ATOM 1591 O ALA A 104 24.794 1.758 90.551 1.00 0.00 O ATOM 1592 CB ALA A 104 24.824 -1.380 90.165 1.00 0.00 C ATOM 0 H ALA A 104 24.963 -1.163 87.600 1.00 0.00 H new ATOM 0 HA ALA A 104 23.168 -0.066 89.696 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.847 -1.112 91.221 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.236 -2.288 90.034 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.841 -1.552 89.812 1.00 0.00 H new ATOM 1598 N LEU A 105 25.941 1.341 88.714 1.00 0.00 N ATOM 1599 CA LEU A 105 26.791 2.553 88.898 1.00 0.00 C ATOM 1600 C LEU A 105 25.956 3.840 88.979 1.00 0.00 C ATOM 1601 O LEU A 105 25.851 4.456 90.019 1.00 0.00 O ATOM 1602 CB LEU A 105 27.742 2.691 87.711 1.00 0.00 C ATOM 1603 CG LEU A 105 28.373 1.343 87.355 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.427 1.552 86.267 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.038 0.735 88.592 1.00 0.00 C ATOM 0 H LEU A 105 26.155 0.788 87.884 1.00 0.00 H new ATOM 0 HA LEU A 105 27.333 2.425 89.835 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.200 3.082 86.850 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.525 3.411 87.949 1.00 0.00 H new ATOM 0 HG LEU A 105 27.597 0.667 86.996 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.879 0.594 86.010 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.956 1.980 85.382 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.198 2.231 86.632 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.485 -0.224 88.330 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.813 1.409 88.957 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.290 0.587 89.371 1.00 0.00 H new ATOM 1617 N GLU A 106 25.410 4.280 87.876 1.00 0.00 N ATOM 1618 CA GLU A 106 24.647 5.552 87.882 1.00 0.00 C ATOM 1619 C GLU A 106 23.245 5.342 88.456 1.00 0.00 C ATOM 1620 O GLU A 106 22.436 6.249 88.480 1.00 0.00 O ATOM 1621 CB GLU A 106 24.544 6.078 86.449 1.00 0.00 C ATOM 1622 CG GLU A 106 25.905 5.955 85.754 1.00 0.00 C ATOM 1623 CD GLU A 106 26.907 6.895 86.425 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.831 8.086 86.172 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.733 6.408 87.179 1.00 0.00 O ATOM 0 H GLU A 106 25.462 3.809 86.973 1.00 0.00 H new ATOM 0 HA GLU A 106 25.168 6.275 88.510 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.791 5.514 85.898 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.221 7.119 86.456 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.262 4.927 85.809 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.809 6.203 84.697 1.00 0.00 H new ATOM 1632 N ALA A 107 22.944 4.160 88.923 1.00 0.00 N ATOM 1633 CA ALA A 107 21.586 3.932 89.488 1.00 0.00 C ATOM 1634 C ALA A 107 21.459 4.530 90.895 1.00 0.00 C ATOM 1635 O ALA A 107 20.472 5.165 91.208 1.00 0.00 O ATOM 1636 CB ALA A 107 21.299 2.434 89.567 1.00 0.00 C ATOM 0 H ALA A 107 23.570 3.355 88.938 1.00 0.00 H new ATOM 0 HA ALA A 107 20.869 4.421 88.829 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.303 2.276 89.981 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.349 2.001 88.568 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.039 1.955 90.208 1.00 0.00 H new ATOM 1642 N THR A 108 22.409 4.309 91.767 1.00 0.00 N ATOM 1643 CA THR A 108 22.253 4.852 93.146 1.00 0.00 C ATOM 1644 C THR A 108 23.600 5.025 93.844 1.00 0.00 C ATOM 1645 O THR A 108 24.625 5.247 93.232 1.00 0.00 O ATOM 1646 CB THR A 108 21.436 3.849 93.950 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.234 4.343 95.268 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.208 2.529 94.005 1.00 0.00 C ATOM 0 H THR A 108 23.267 3.788 91.589 1.00 0.00 H new ATOM 0 HA THR A 108 21.770 5.827 93.082 1.00 0.00 H new ATOM 0 HB THR A 108 20.465 3.694 93.480 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.707 3.697 95.782 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.638 1.798 94.578 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.364 2.156 92.993 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.173 2.692 94.484 1.00 0.00 H new ATOM 1656 N ASP A 109 23.578 4.902 95.148 1.00 0.00 N ATOM 1657 CA ASP A 109 24.814 5.022 95.956 1.00 0.00 C ATOM 1658 C ASP A 109 24.732 4.058 97.148 1.00 0.00 C ATOM 1659 O ASP A 109 25.675 3.913 97.901 1.00 0.00 O ATOM 1660 CB ASP A 109 24.982 6.454 96.463 1.00 0.00 C ATOM 1661 CG ASP A 109 26.343 6.588 97.151 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.342 6.348 96.493 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.364 6.924 98.324 1.00 0.00 O ATOM 0 H ASP A 109 22.734 4.720 95.691 1.00 0.00 H new ATOM 0 HA ASP A 109 25.673 4.770 95.334 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.910 7.157 95.633 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.182 6.702 97.161 1.00 0.00 H new ATOM 1668 N ASN A 110 23.626 3.370 97.316 1.00 0.00 N ATOM 1669 CA ASN A 110 23.546 2.403 98.450 1.00 0.00 C ATOM 1670 C ASN A 110 24.388 1.190 98.052 1.00 0.00 C ATOM 1671 O ASN A 110 24.394 0.776 96.912 1.00 0.00 O ATOM 1672 CB ASN A 110 22.090 1.999 98.737 1.00 0.00 C ATOM 1673 CG ASN A 110 21.539 1.170 97.588 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.093 1.277 96.427 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.597 0.419 97.754 1.00 0.00 N flip ATOM 0 H ASN A 110 22.794 3.435 96.729 1.00 0.00 H new ATOM 0 HA ASN A 110 23.923 2.853 99.368 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.039 1.428 99.664 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.479 2.890 98.878 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.164 0.339 98.674 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.240 -0.131 96.973 1.00 0.00 H new ATOM 1682 N GLN A 111 25.157 0.670 98.959 1.00 0.00 N ATOM 1683 CA GLN A 111 26.074 -0.456 98.616 1.00 0.00 C ATOM 1684 C GLN A 111 25.337 -1.786 98.355 1.00 0.00 C ATOM 1685 O GLN A 111 25.966 -2.802 98.143 1.00 0.00 O ATOM 1686 CB GLN A 111 27.081 -0.602 99.757 1.00 0.00 C ATOM 1687 CG GLN A 111 27.913 -1.873 99.581 1.00 0.00 C ATOM 1688 CD GLN A 111 29.224 -1.724 100.354 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.398 -2.317 101.402 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.157 -0.948 99.879 1.00 0.00 N ATOM 0 H GLN A 111 25.194 0.975 99.932 1.00 0.00 H new ATOM 0 HA GLN A 111 26.578 -0.220 97.679 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.737 0.268 99.784 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.555 -0.634 100.711 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.359 -2.738 99.944 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.117 -2.046 98.524 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.009 -0.452 99.000 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.035 -0.837 100.386 1.00 0.00 H new ATOM 1699 N ALA A 112 24.032 -1.809 98.324 1.00 0.00 N ATOM 1700 CA ALA A 112 23.336 -3.100 98.037 1.00 0.00 C ATOM 1701 C ALA A 112 23.239 -3.267 96.524 1.00 0.00 C ATOM 1702 O ALA A 112 23.542 -4.304 95.956 1.00 0.00 O ATOM 1703 CB ALA A 112 21.932 -3.084 98.646 1.00 0.00 C ATOM 0 H ALA A 112 23.424 -1.005 98.482 1.00 0.00 H new ATOM 0 HA ALA A 112 23.894 -3.929 98.473 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.432 -4.029 98.432 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.005 -2.948 99.725 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.358 -2.264 98.215 1.00 0.00 H new ATOM 1709 N ILE A 113 22.860 -2.225 95.872 1.00 0.00 N ATOM 1710 CA ILE A 113 22.765 -2.248 94.394 1.00 0.00 C ATOM 1711 C ILE A 113 24.173 -2.400 93.857 1.00 0.00 C ATOM 1712 O ILE A 113 24.478 -3.263 93.049 1.00 0.00 O ATOM 1713 CB ILE A 113 22.220 -0.889 93.949 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.689 -0.903 93.885 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.787 -0.504 92.579 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.094 -0.739 95.289 1.00 0.00 C ATOM 0 H ILE A 113 22.605 -1.337 96.304 1.00 0.00 H new ATOM 0 HA ILE A 113 22.124 -3.055 94.040 1.00 0.00 H new ATOM 0 HB ILE A 113 22.532 -0.150 94.687 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.338 -0.099 93.238 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.346 -1.839 93.445 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.388 0.465 92.279 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.874 -0.446 92.638 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.503 -1.256 91.843 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.006 -0.751 95.227 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.430 -1.558 95.925 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.423 0.209 95.715 1.00 0.00 H new ATOM 1728 N LYS A 114 25.032 -1.555 94.314 1.00 0.00 N ATOM 1729 CA LYS A 114 26.421 -1.613 93.862 1.00 0.00 C ATOM 1730 C LYS A 114 26.929 -3.035 94.090 1.00 0.00 C ATOM 1731 O LYS A 114 27.946 -3.438 93.564 1.00 0.00 O ATOM 1732 CB LYS A 114 27.246 -0.591 94.647 1.00 0.00 C ATOM 1733 CG LYS A 114 26.535 0.773 94.629 1.00 0.00 C ATOM 1734 CD LYS A 114 26.607 1.381 93.226 1.00 0.00 C ATOM 1735 CE LYS A 114 26.173 2.848 93.282 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.255 3.661 93.903 1.00 0.00 N ATOM 0 H LYS A 114 24.824 -0.819 94.989 1.00 0.00 H new ATOM 0 HA LYS A 114 26.506 -1.369 92.803 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.379 -0.929 95.675 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.240 -0.499 94.210 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.494 0.654 94.930 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.001 1.445 95.350 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.623 1.306 92.837 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.963 0.826 92.544 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.959 3.214 92.278 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.253 2.945 93.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.120 4.663 93.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.224 3.549 94.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.178 3.340 93.547 1.00 0.00 H new ATOM 1750 N ALA A 115 26.201 -3.807 94.854 1.00 0.00 N ATOM 1751 CA ALA A 115 26.612 -5.209 95.097 1.00 0.00 C ATOM 1752 C ALA A 115 26.538 -5.959 93.776 1.00 0.00 C ATOM 1753 O ALA A 115 27.331 -6.833 93.506 1.00 0.00 O ATOM 1754 CB ALA A 115 25.688 -5.871 96.122 1.00 0.00 C ATOM 0 H ALA A 115 25.339 -3.521 95.318 1.00 0.00 H new ATOM 0 HA ALA A 115 27.627 -5.232 95.493 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.006 -6.900 96.287 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.735 -5.322 97.062 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.664 -5.863 95.748 1.00 0.00 H new ATOM 1760 N LEU A 116 25.612 -5.623 92.930 1.00 0.00 N ATOM 1761 CA LEU A 116 25.566 -6.336 91.633 1.00 0.00 C ATOM 1762 C LEU A 116 26.836 -5.964 90.871 1.00 0.00 C ATOM 1763 O LEU A 116 27.348 -6.726 90.075 1.00 0.00 O ATOM 1764 CB LEU A 116 24.334 -5.888 90.827 1.00 0.00 C ATOM 1765 CG LEU A 116 23.183 -6.916 90.883 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.160 -6.585 89.781 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.700 -8.346 90.667 1.00 0.00 C ATOM 0 H LEU A 116 24.902 -4.905 93.074 1.00 0.00 H new ATOM 0 HA LEU A 116 25.500 -7.413 91.789 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.981 -4.931 91.212 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.623 -5.727 89.788 1.00 0.00 H new ATOM 0 HG LEU A 116 22.722 -6.860 91.869 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.344 -7.307 89.814 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.764 -5.582 89.941 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.647 -6.632 88.807 1.00 0.00 H new ATOM 0 HD21 LEU A 116 22.865 -9.045 90.712 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.179 -8.416 89.691 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.423 -8.593 91.445 1.00 0.00 H new ATOM 1779 N LEU A 117 27.363 -4.799 91.132 1.00 0.00 N ATOM 1780 CA LEU A 117 28.615 -4.386 90.450 1.00 0.00 C ATOM 1781 C LEU A 117 29.768 -5.035 91.206 1.00 0.00 C ATOM 1782 O LEU A 117 30.927 -4.810 90.945 1.00 0.00 O ATOM 1783 CB LEU A 117 28.698 -2.841 90.441 1.00 0.00 C ATOM 1784 CG LEU A 117 29.765 -2.298 91.422 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.166 -2.354 90.790 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.440 -0.836 91.778 1.00 0.00 C ATOM 0 H LEU A 117 26.979 -4.118 91.788 1.00 0.00 H new ATOM 0 HA LEU A 117 28.651 -4.709 89.409 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.929 -2.499 89.432 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.724 -2.427 90.703 1.00 0.00 H new ATOM 0 HG LEU A 117 29.753 -2.918 92.318 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.900 -1.967 91.497 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.411 -3.386 90.540 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.181 -1.748 89.884 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.192 -0.454 92.469 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.441 -0.232 90.871 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.457 -0.786 92.247 1.00 0.00 H new ATOM 1798 N GLN A 118 29.429 -5.870 92.141 1.00 0.00 N ATOM 1799 CA GLN A 118 30.457 -6.574 92.938 1.00 0.00 C ATOM 1800 C GLN A 118 31.151 -7.622 92.067 1.00 0.00 C ATOM 1801 O GLN A 118 30.718 -8.763 92.087 1.00 0.00 O ATOM 1802 CB GLN A 118 29.775 -7.261 94.109 1.00 0.00 C ATOM 1803 CG GLN A 118 30.803 -7.973 94.963 1.00 0.00 C ATOM 1804 CD GLN A 118 30.157 -8.409 96.281 1.00 0.00 C ATOM 1805 OE1 GLN A 118 28.876 -8.219 96.460 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 30.823 -8.927 97.155 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 32.102 -7.266 91.392 1.00 0.00 O ATOM 0 H GLN A 118 28.466 -6.097 92.389 1.00 0.00 H new ATOM 0 HA GLN A 118 31.199 -5.863 93.301 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.238 -6.527 94.709 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.037 -7.975 93.743 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.194 -8.841 94.432 1.00 0.00 H new ATOM 0 HG3 GLN A 118 31.648 -7.313 95.160 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.822 -9.075 97.015 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.383 -9.214 98.029 1.00 0.00 H new