USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1003 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: B 8 THR OG1 : rot 26:sc= 0.141 USER MOD Set 1.2: B 11 GLN : amide:sc= -1.6! K(o=-1.5!,f=-0.14) USER MOD Set 2.1: A 42 THR OG1 : rot 80:sc= 1.21 USER MOD Set 2.2: B 68 SER OG : rot -77:sc= 0.246 USER MOD Set 3.1: A 39 ASN : amide:sc= -0.385 K(o=0.57,f=-1.4) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.957 K(o=0.57,f=-0.86) USER MOD Set 3.3: A 47 GLN : amide:sc= 0 K(o=0.57,f=-0.15) USER MOD Single : A 7 TYR OH : rot 28:sc= -1.4! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.17) USER MOD Single : A 26 HIS : no HD1:sc= -0.998 K(o=-1,f=-6.7!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.529 USER MOD Single : A 35 MET CE :methyl 150:sc= -1.4 (180deg=-2.1) USER MOD Single : A 46 ASN : amide:sc= 1.8 K(o=1.8,f=-0.15) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 1.11! (180deg=1.11!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -3.32! K(o=-3.3!,f=-0.099) USER MOD Single : A 66 MET CE :methyl 157:sc= -0.304 (180deg=-0.945) USER MOD Single : A 67 SER OG : rot -91:sc= 0.924 USER MOD Single : A 68 SER OG : rot 86:sc= 0.977 USER MOD Single : B 14 LYS NZ :NH3+ -146:sc= 1.27 (180deg=1.15) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= 0.0888 K(o=0.089,f=-4.7!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 72:sc= 1.26 USER MOD Single : B 35 MET CE :methyl 175:sc= 0 (180deg=-0.0667) USER MOD Single : B 39 ASN : amide:sc= 0.939 K(o=0.94,f=0) USER MOD Single : B 42 THR OG1 : rot 81:sc= 1.29 USER MOD Single : B 43 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.6!) USER MOD Single : B 46 ASN : amide:sc= -0.119 K(o=-0.12,f=-3.5!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.319 K(o=-0.32,f=-0.98) USER MOD Single : B 55 LYS NZ :NH3+ -178:sc= 0.774 (180deg=0.758) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= 0.894 K(o=0.89,f=-0.15) USER MOD Single : B 66 MET CE :methyl 143:sc= -1 (180deg=-3.42!) USER MOD Single : B 67 SER OG : rot 81:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -4.443 5.613 16.927 1.00 0.00 N ATOM 98 CA TYR A 7 -4.406 6.885 16.225 1.00 0.00 C ATOM 99 C TYR A 7 -5.762 7.563 16.320 1.00 0.00 C ATOM 100 O TYR A 7 -6.789 6.893 16.452 1.00 0.00 O ATOM 101 CB TYR A 7 -4.052 6.690 14.748 1.00 0.00 C ATOM 102 CG TYR A 7 -2.753 5.957 14.511 1.00 0.00 C ATOM 103 CD1 TYR A 7 -1.530 6.552 14.796 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.751 4.671 13.986 1.00 0.00 C ATOM 105 CE1 TYR A 7 -0.342 5.883 14.567 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.570 3.998 13.758 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.370 4.608 14.047 1.00 0.00 C ATOM 108 OH TYR A 7 0.803 3.933 13.810 1.00 0.00 O ATOM 0 HA TYR A 7 -3.641 7.505 16.692 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.859 6.141 14.263 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.997 7.667 14.268 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.507 7.552 15.203 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.690 4.191 13.753 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.601 6.357 14.794 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.586 2.996 13.354 1.00 0.00 H new ATOM 0 HH TYR A 7 1.493 4.248 14.431 1.00 0.00 H new ATOM 118 N THR A 8 -5.767 8.884 16.267 1.00 0.00 N ATOM 119 CA THR A 8 -7.009 9.628 16.199 1.00 0.00 C ATOM 120 C THR A 8 -7.689 9.374 14.854 1.00 0.00 C ATOM 121 O THR A 8 -7.089 9.592 13.802 1.00 0.00 O ATOM 122 CB THR A 8 -6.757 11.134 16.394 1.00 0.00 C ATOM 123 OG1 THR A 8 -6.069 11.349 17.634 1.00 0.00 O ATOM 124 CG2 THR A 8 -8.061 11.911 16.390 1.00 0.00 C ATOM 0 H THR A 8 -4.926 9.461 16.270 1.00 0.00 H new ATOM 0 HA THR A 8 -7.663 9.288 17.002 1.00 0.00 H new ATOM 0 HB THR A 8 -6.145 11.491 15.566 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.907 12.308 17.757 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.853 12.972 16.530 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.570 11.763 15.437 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.698 11.557 17.200 1.00 0.00 H new ATOM 132 N ASP A 9 -8.932 8.896 14.898 1.00 0.00 N ATOM 133 CA ASP A 9 -9.659 8.512 13.687 1.00 0.00 C ATOM 134 C ASP A 9 -9.763 9.675 12.707 1.00 0.00 C ATOM 135 O ASP A 9 -9.642 9.484 11.498 1.00 0.00 O ATOM 136 CB ASP A 9 -11.058 8.001 14.036 1.00 0.00 C ATOM 137 CG ASP A 9 -11.834 7.570 12.809 1.00 0.00 C ATOM 138 OD1 ASP A 9 -11.569 6.467 12.291 1.00 0.00 O ATOM 139 OD2 ASP A 9 -12.723 8.324 12.369 1.00 0.00 O ATOM 0 H ASP A 9 -9.459 8.765 15.762 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.096 7.711 13.209 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.974 7.160 14.724 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.610 8.784 14.556 1.00 0.00 H new ATOM 144 N GLU A 10 -9.972 10.877 13.243 1.00 0.00 N ATOM 145 CA GLU A 10 -10.024 12.089 12.432 1.00 0.00 C ATOM 146 C GLU A 10 -8.795 12.204 11.545 1.00 0.00 C ATOM 147 O GLU A 10 -8.908 12.455 10.349 1.00 0.00 O ATOM 148 CB GLU A 10 -10.124 13.322 13.334 1.00 0.00 C ATOM 149 CG GLU A 10 -11.491 13.506 13.964 1.00 0.00 C ATOM 150 CD GLU A 10 -12.554 13.817 12.934 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.115 12.873 12.349 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.829 15.017 12.705 1.00 0.00 O ATOM 0 H GLU A 10 -10.109 11.036 14.241 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.907 12.032 11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.377 13.245 14.124 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.880 14.209 12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.765 12.601 14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.447 14.314 14.695 1.00 0.00 H new ATOM 159 N GLN A 11 -7.627 11.991 12.134 1.00 0.00 N ATOM 160 CA GLN A 11 -6.373 12.089 11.403 1.00 0.00 C ATOM 161 C GLN A 11 -6.387 11.162 10.196 1.00 0.00 C ATOM 162 O GLN A 11 -6.122 11.587 9.075 1.00 0.00 O ATOM 163 CB GLN A 11 -5.195 11.748 12.315 1.00 0.00 C ATOM 164 CG GLN A 11 -5.113 12.629 13.548 1.00 0.00 C ATOM 165 CD GLN A 11 -5.084 14.105 13.209 1.00 0.00 C ATOM 166 OE1 GLN A 11 -6.129 14.753 13.106 1.00 0.00 O ATOM 167 NE2 GLN A 11 -3.891 14.651 13.034 1.00 0.00 N ATOM 0 H GLN A 11 -7.522 11.748 13.119 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.258 13.115 11.054 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.276 10.707 12.626 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.268 11.841 11.749 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.968 12.425 14.193 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.218 12.372 14.114 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.050 14.081 13.128 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.812 15.642 12.805 1.00 0.00 H new ATOM 176 N VAL A 12 -6.736 9.904 10.436 1.00 0.00 N ATOM 177 CA VAL A 12 -6.798 8.903 9.377 1.00 0.00 C ATOM 178 C VAL A 12 -7.832 9.289 8.321 1.00 0.00 C ATOM 179 O VAL A 12 -7.537 9.321 7.124 1.00 0.00 O ATOM 180 CB VAL A 12 -7.167 7.512 9.940 1.00 0.00 C ATOM 181 CG1 VAL A 12 -7.138 6.464 8.842 1.00 0.00 C ATOM 182 CG2 VAL A 12 -6.241 7.123 11.082 1.00 0.00 C ATOM 0 H VAL A 12 -6.982 9.551 11.361 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.807 8.859 8.924 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.182 7.566 10.334 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.401 5.492 9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.855 6.731 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.138 6.416 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.522 6.140 11.460 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.213 7.093 10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.323 7.857 11.883 1.00 0.00 H new ATOM 192 N GLU A 13 -9.034 9.603 8.790 1.00 0.00 N ATOM 193 CA GLU A 13 -10.171 9.877 7.922 1.00 0.00 C ATOM 194 C GLU A 13 -9.896 11.057 6.988 1.00 0.00 C ATOM 195 O GLU A 13 -10.202 11.002 5.793 1.00 0.00 O ATOM 196 CB GLU A 13 -11.408 10.167 8.781 1.00 0.00 C ATOM 197 CG GLU A 13 -12.704 10.222 7.992 1.00 0.00 C ATOM 198 CD GLU A 13 -13.056 8.893 7.360 1.00 0.00 C ATOM 199 OE1 GLU A 13 -12.606 8.629 6.231 1.00 0.00 O ATOM 200 OE2 GLU A 13 -13.789 8.106 7.989 1.00 0.00 O ATOM 0 H GLU A 13 -9.247 9.675 9.785 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.346 8.998 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.494 9.398 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.266 11.117 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.514 10.532 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.619 10.980 7.213 1.00 0.00 H new ATOM 207 N LYS A 14 -9.304 12.115 7.528 1.00 0.00 N ATOM 208 CA LYS A 14 -9.101 13.342 6.760 1.00 0.00 C ATOM 209 C LYS A 14 -7.962 13.184 5.764 1.00 0.00 C ATOM 210 O LYS A 14 -8.043 13.680 4.640 1.00 0.00 O ATOM 211 CB LYS A 14 -8.839 14.538 7.682 1.00 0.00 C ATOM 212 CG LYS A 14 -9.908 14.726 8.749 1.00 0.00 C ATOM 213 CD LYS A 14 -11.306 14.776 8.153 1.00 0.00 C ATOM 214 CE LYS A 14 -12.365 14.657 9.233 1.00 0.00 C ATOM 215 NZ LYS A 14 -13.738 14.635 8.669 1.00 0.00 N ATOM 0 H LYS A 14 -8.958 12.151 8.487 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.019 13.534 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.871 14.408 8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.775 15.444 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.850 13.909 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.715 15.648 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.440 15.711 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.426 13.968 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.195 13.747 9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.271 15.493 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.429 14.553 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.911 15.515 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.837 13.822 8.028 1.00 0.00 H new ATOM 229 N ILE A 15 -6.904 12.488 6.169 1.00 0.00 N ATOM 230 CA ILE A 15 -5.782 12.240 5.275 1.00 0.00 C ATOM 231 C ILE A 15 -6.231 11.394 4.090 1.00 0.00 C ATOM 232 O ILE A 15 -5.985 11.749 2.939 1.00 0.00 O ATOM 233 CB ILE A 15 -4.607 11.545 5.996 1.00 0.00 C ATOM 234 CG1 ILE A 15 -4.034 12.459 7.082 1.00 0.00 C ATOM 235 CG2 ILE A 15 -3.521 11.164 4.998 1.00 0.00 C ATOM 236 CD1 ILE A 15 -2.914 11.829 7.882 1.00 0.00 C ATOM 0 H ILE A 15 -6.802 12.090 7.102 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.429 13.209 4.923 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.979 10.635 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.666 13.374 6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.836 12.747 7.762 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.700 10.675 5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.933 10.482 4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.151 12.062 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.560 12.537 8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.281 10.930 8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.093 11.566 7.215 1.00 0.00 H new ATOM 248 N LEU A 16 -6.919 10.291 4.379 1.00 0.00 N ATOM 249 CA LEU A 16 -7.433 9.407 3.337 1.00 0.00 C ATOM 250 C LEU A 16 -8.320 10.176 2.363 1.00 0.00 C ATOM 251 O LEU A 16 -8.246 9.973 1.151 1.00 0.00 O ATOM 252 CB LEU A 16 -8.226 8.252 3.954 1.00 0.00 C ATOM 253 CG LEU A 16 -7.398 7.210 4.709 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.308 6.183 5.367 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.420 6.528 3.766 1.00 0.00 C ATOM 0 H LEU A 16 -7.133 9.988 5.329 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.581 9.002 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.965 8.668 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.775 7.747 3.160 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.830 7.717 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.703 5.449 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.973 6.684 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.900 5.679 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.838 5.789 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.971 6.033 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.749 7.272 3.337 1.00 0.00 H new ATOM 267 N ALA A 17 -9.145 11.068 2.903 1.00 0.00 N ATOM 268 CA ALA A 17 -10.041 11.880 2.089 1.00 0.00 C ATOM 269 C ALA A 17 -9.260 12.745 1.107 1.00 0.00 C ATOM 270 O ALA A 17 -9.502 12.701 -0.099 1.00 0.00 O ATOM 271 CB ALA A 17 -10.918 12.754 2.974 1.00 0.00 C ATOM 0 H ALA A 17 -9.211 11.247 3.905 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.677 11.205 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.581 13.354 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.513 12.122 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.289 13.413 3.573 1.00 0.00 H new ATOM 277 N GLU A 18 -8.313 13.518 1.626 1.00 0.00 N ATOM 278 CA GLU A 18 -7.538 14.426 0.790 1.00 0.00 C ATOM 279 C GLU A 18 -6.680 13.661 -0.212 1.00 0.00 C ATOM 280 O GLU A 18 -6.578 14.059 -1.369 1.00 0.00 O ATOM 281 CB GLU A 18 -6.663 15.350 1.641 1.00 0.00 C ATOM 282 CG GLU A 18 -7.463 16.282 2.540 1.00 0.00 C ATOM 283 CD GLU A 18 -6.653 17.464 3.034 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.635 18.502 2.338 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.035 17.371 4.113 1.00 0.00 O ATOM 0 H GLU A 18 -8.065 13.534 2.615 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.247 15.039 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.000 14.743 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.030 15.946 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.333 16.647 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.836 15.721 3.396 1.00 0.00 H new ATOM 292 N VAL A 19 -6.080 12.557 0.227 1.00 0.00 N ATOM 293 CA VAL A 19 -5.256 11.736 -0.654 1.00 0.00 C ATOM 294 C VAL A 19 -6.081 11.195 -1.819 1.00 0.00 C ATOM 295 O VAL A 19 -5.697 11.342 -2.981 1.00 0.00 O ATOM 296 CB VAL A 19 -4.593 10.562 0.104 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.874 9.625 -0.858 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.622 11.087 1.152 1.00 0.00 C ATOM 0 H VAL A 19 -6.149 12.212 1.184 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.466 12.379 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.380 9.997 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.417 8.809 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.589 9.219 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.100 10.176 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.164 10.248 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.846 11.678 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.160 11.711 1.866 1.00 0.00 H new ATOM 308 N ALA A 20 -7.228 10.598 -1.506 1.00 0.00 N ATOM 309 CA ALA A 20 -8.108 10.047 -2.531 1.00 0.00 C ATOM 310 C ALA A 20 -8.614 11.144 -3.460 1.00 0.00 C ATOM 311 O ALA A 20 -8.771 10.930 -4.664 1.00 0.00 O ATOM 312 CB ALA A 20 -9.272 9.309 -1.887 1.00 0.00 C ATOM 0 H ALA A 20 -7.569 10.484 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.536 9.338 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.920 8.903 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.890 8.495 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.841 9.999 -1.264 1.00 0.00 H new ATOM 318 N LEU A 21 -8.865 12.318 -2.895 1.00 0.00 N ATOM 319 CA LEU A 21 -9.295 13.468 -3.673 1.00 0.00 C ATOM 320 C LEU A 21 -8.206 13.884 -4.657 1.00 0.00 C ATOM 321 O LEU A 21 -8.498 14.164 -5.810 1.00 0.00 O ATOM 322 CB LEU A 21 -9.676 14.630 -2.746 1.00 0.00 C ATOM 323 CG LEU A 21 -10.240 15.878 -3.436 1.00 0.00 C ATOM 324 CD1 LEU A 21 -11.233 16.575 -2.523 1.00 0.00 C ATOM 325 CD2 LEU A 21 -9.124 16.844 -3.816 1.00 0.00 C ATOM 0 H LEU A 21 -8.777 12.497 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.179 13.191 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.413 14.270 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.793 14.921 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.747 15.561 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.627 17.460 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.052 15.895 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.733 16.871 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.551 17.720 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.589 17.153 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.432 16.350 -4.499 1.00 0.00 H new ATOM 337 N VAL A 22 -6.952 13.905 -4.207 1.00 0.00 N ATOM 338 CA VAL A 22 -5.836 14.279 -5.075 1.00 0.00 C ATOM 339 C VAL A 22 -5.717 13.309 -6.247 1.00 0.00 C ATOM 340 O VAL A 22 -5.449 13.714 -7.382 1.00 0.00 O ATOM 341 CB VAL A 22 -4.499 14.328 -4.301 1.00 0.00 C ATOM 342 CG1 VAL A 22 -3.330 14.595 -5.239 1.00 0.00 C ATOM 343 CG2 VAL A 22 -4.554 15.392 -3.217 1.00 0.00 C ATOM 0 H VAL A 22 -6.684 13.669 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.045 15.279 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.345 13.355 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.403 14.624 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.272 13.801 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.477 15.552 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.605 15.414 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.737 16.366 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.359 15.160 -2.520 1.00 0.00 H new ATOM 353 N LEU A 23 -5.936 12.033 -5.970 1.00 0.00 N ATOM 354 CA LEU A 23 -5.920 11.007 -7.005 1.00 0.00 C ATOM 355 C LEU A 23 -6.976 11.311 -8.064 1.00 0.00 C ATOM 356 O LEU A 23 -6.682 11.373 -9.260 1.00 0.00 O ATOM 357 CB LEU A 23 -6.185 9.633 -6.386 1.00 0.00 C ATOM 358 CG LEU A 23 -5.285 9.269 -5.203 1.00 0.00 C ATOM 359 CD1 LEU A 23 -5.731 7.959 -4.575 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.830 9.184 -5.642 1.00 0.00 C ATOM 0 H LEU A 23 -6.128 11.680 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.937 11.001 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.224 9.594 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.066 8.874 -7.160 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.371 10.056 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.079 7.717 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.757 8.056 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.677 7.163 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.206 8.924 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.726 8.420 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.514 10.147 -6.042 1.00 0.00 H new ATOM 372 N GLU A 24 -8.197 11.532 -7.600 1.00 0.00 N ATOM 373 CA GLU A 24 -9.325 11.837 -8.474 1.00 0.00 C ATOM 374 C GLU A 24 -9.171 13.216 -9.115 1.00 0.00 C ATOM 375 O GLU A 24 -9.689 13.472 -10.201 1.00 0.00 O ATOM 376 CB GLU A 24 -10.624 11.755 -7.675 1.00 0.00 C ATOM 377 CG GLU A 24 -11.000 10.332 -7.302 1.00 0.00 C ATOM 378 CD GLU A 24 -12.172 10.266 -6.349 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.225 10.867 -6.647 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.048 9.601 -5.300 1.00 0.00 O ATOM 0 H GLU A 24 -8.436 11.506 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.352 11.104 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.524 12.349 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.432 12.198 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.242 9.776 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.140 9.841 -6.847 1.00 0.00 H new ATOM 387 N LYS A 25 -8.447 14.089 -8.433 1.00 0.00 N ATOM 388 CA LYS A 25 -8.170 15.435 -8.923 1.00 0.00 C ATOM 389 C LYS A 25 -7.330 15.385 -10.197 1.00 0.00 C ATOM 390 O LYS A 25 -7.544 16.156 -11.130 1.00 0.00 O ATOM 391 CB LYS A 25 -7.440 16.229 -7.833 1.00 0.00 C ATOM 392 CG LYS A 25 -7.101 17.663 -8.202 1.00 0.00 C ATOM 393 CD LYS A 25 -6.350 18.346 -7.070 1.00 0.00 C ATOM 394 CE LYS A 25 -5.959 19.767 -7.429 1.00 0.00 C ATOM 395 NZ LYS A 25 -5.274 20.457 -6.304 1.00 0.00 N ATOM 0 H LYS A 25 -8.033 13.887 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.112 15.928 -9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.058 16.237 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.517 15.707 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.495 17.677 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.016 18.213 -8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.972 18.355 -6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.455 17.772 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.303 19.754 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.850 20.328 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.904 21.372 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.950 20.614 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.488 19.868 -5.963 1.00 0.00 H new ATOM 409 N HIS A 26 -6.378 14.460 -10.234 1.00 0.00 N ATOM 410 CA HIS A 26 -5.503 14.314 -11.393 1.00 0.00 C ATOM 411 C HIS A 26 -5.969 13.168 -12.287 1.00 0.00 C ATOM 412 O HIS A 26 -5.275 12.797 -13.236 1.00 0.00 O ATOM 413 CB HIS A 26 -4.051 14.068 -10.962 1.00 0.00 C ATOM 414 CG HIS A 26 -3.425 15.205 -10.212 1.00 0.00 C ATOM 415 ND1 HIS A 26 -2.541 16.097 -10.786 1.00 0.00 N ATOM 416 CD2 HIS A 26 -3.532 15.575 -8.913 1.00 0.00 C ATOM 417 CE1 HIS A 26 -2.136 16.960 -9.872 1.00 0.00 C ATOM 418 NE2 HIS A 26 -2.723 16.663 -8.732 1.00 0.00 N ATOM 0 H HIS A 26 -6.192 13.801 -9.478 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.551 15.246 -11.955 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.017 13.175 -10.338 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.452 13.861 -11.849 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.143 15.099 -8.160 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.441 17.771 -10.033 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.595 17.165 -7.853 1.00 0.00 H new ATOM 427 N ALA A 27 -7.144 12.616 -11.973 1.00 0.00 N ATOM 428 CA ALA A 27 -7.726 11.507 -12.733 1.00 0.00 C ATOM 429 C ALA A 27 -6.785 10.301 -12.765 1.00 0.00 C ATOM 430 O ALA A 27 -6.624 9.647 -13.799 1.00 0.00 O ATOM 431 CB ALA A 27 -8.077 11.955 -14.147 1.00 0.00 C ATOM 0 H ALA A 27 -7.717 12.924 -11.187 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.642 11.199 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.508 11.119 -14.697 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.799 12.770 -14.102 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.175 12.297 -14.655 1.00 0.00 H new ATOM 437 N ALA A 28 -6.192 10.001 -11.616 1.00 0.00 N ATOM 438 CA ALA A 28 -5.228 8.915 -11.505 1.00 0.00 C ATOM 439 C ALA A 28 -5.877 7.559 -11.765 1.00 0.00 C ATOM 440 O ALA A 28 -6.946 7.255 -11.234 1.00 0.00 O ATOM 441 CB ALA A 28 -4.574 8.929 -10.131 1.00 0.00 C ATOM 0 H ALA A 28 -6.364 10.499 -10.743 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.464 9.071 -12.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.856 8.112 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.059 9.878 -9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.338 8.807 -9.363 1.00 0.00 H new ATOM 447 N SER A 29 -5.230 6.760 -12.604 1.00 0.00 N ATOM 448 CA SER A 29 -5.683 5.407 -12.885 1.00 0.00 C ATOM 449 C SER A 29 -5.359 4.488 -11.704 1.00 0.00 C ATOM 450 O SER A 29 -4.558 4.852 -10.839 1.00 0.00 O ATOM 451 CB SER A 29 -5.013 4.901 -14.165 1.00 0.00 C ATOM 452 OG SER A 29 -5.294 5.763 -15.256 1.00 0.00 O ATOM 0 H SER A 29 -4.383 7.030 -13.104 1.00 0.00 H new ATOM 0 HA SER A 29 -6.763 5.407 -13.029 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.935 4.836 -14.015 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.365 3.894 -14.391 1.00 0.00 H new ATOM 0 HG SER A 29 -4.855 5.422 -16.063 1.00 0.00 H new ATOM 458 N PRO A 30 -5.984 3.297 -11.636 1.00 0.00 N ATOM 459 CA PRO A 30 -5.747 2.338 -10.548 1.00 0.00 C ATOM 460 C PRO A 30 -4.271 1.980 -10.387 1.00 0.00 C ATOM 461 O PRO A 30 -3.732 2.045 -9.281 1.00 0.00 O ATOM 462 CB PRO A 30 -6.557 1.107 -10.965 1.00 0.00 C ATOM 463 CG PRO A 30 -7.605 1.632 -11.884 1.00 0.00 C ATOM 464 CD PRO A 30 -6.981 2.795 -12.601 1.00 0.00 C ATOM 0 HA PRO A 30 -6.041 2.749 -9.582 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.927 0.370 -11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.001 0.614 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.925 0.865 -12.589 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.490 1.945 -11.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.515 2.487 -13.537 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.720 3.557 -12.849 1.00 0.00 H new ATOM 472 N GLU A 31 -3.619 1.614 -11.487 1.00 0.00 N ATOM 473 CA GLU A 31 -2.202 1.266 -11.455 1.00 0.00 C ATOM 474 C GLU A 31 -1.373 2.441 -10.951 1.00 0.00 C ATOM 475 O GLU A 31 -0.448 2.265 -10.157 1.00 0.00 O ATOM 476 CB GLU A 31 -1.700 0.846 -12.840 1.00 0.00 C ATOM 477 CG GLU A 31 -2.528 -0.242 -13.506 1.00 0.00 C ATOM 478 CD GLU A 31 -3.644 0.316 -14.367 1.00 0.00 C ATOM 479 OE1 GLU A 31 -4.631 0.839 -13.811 1.00 0.00 O ATOM 480 OE2 GLU A 31 -3.531 0.241 -15.610 1.00 0.00 O ATOM 0 H GLU A 31 -4.048 1.551 -12.410 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.088 0.423 -10.773 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.685 1.722 -13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.671 0.498 -12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.877 -0.863 -14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.955 -0.889 -12.739 1.00 0.00 H new ATOM 487 N LEU A 32 -1.715 3.637 -11.418 1.00 0.00 N ATOM 488 CA LEU A 32 -1.053 4.860 -10.978 1.00 0.00 C ATOM 489 C LEU A 32 -1.263 5.064 -9.480 1.00 0.00 C ATOM 490 O LEU A 32 -0.312 5.291 -8.735 1.00 0.00 O ATOM 491 CB LEU A 32 -1.594 6.059 -11.769 1.00 0.00 C ATOM 492 CG LEU A 32 -1.035 7.428 -11.371 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.479 7.431 -11.424 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.595 8.512 -12.279 1.00 0.00 C ATOM 0 H LEU A 32 -2.453 3.786 -12.107 1.00 0.00 H new ATOM 0 HA LEU A 32 0.017 4.773 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.386 5.896 -12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.678 6.084 -11.658 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.341 7.634 -10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.851 8.414 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.869 6.681 -10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.808 7.200 -12.437 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.189 9.479 -11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.317 8.301 -13.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.681 8.533 -12.193 1.00 0.00 H new ATOM 506 N THR A 33 -2.512 4.953 -9.055 1.00 0.00 N ATOM 507 CA THR A 33 -2.884 5.116 -7.657 1.00 0.00 C ATOM 508 C THR A 33 -2.129 4.142 -6.752 1.00 0.00 C ATOM 509 O THR A 33 -1.528 4.540 -5.752 1.00 0.00 O ATOM 510 CB THR A 33 -4.398 4.894 -7.482 1.00 0.00 C ATOM 511 OG1 THR A 33 -5.130 5.915 -8.172 1.00 0.00 O ATOM 512 CG2 THR A 33 -4.779 4.871 -6.010 1.00 0.00 C ATOM 0 H THR A 33 -3.299 4.747 -9.671 1.00 0.00 H new ATOM 0 HA THR A 33 -2.618 6.133 -7.367 1.00 0.00 H new ATOM 0 HB THR A 33 -4.653 3.925 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.077 5.760 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.853 4.713 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.247 4.062 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.510 5.822 -5.550 1.00 0.00 H new ATOM 520 N LEU A 34 -2.159 2.870 -7.111 1.00 0.00 N ATOM 521 CA LEU A 34 -1.555 1.838 -6.289 1.00 0.00 C ATOM 522 C LEU A 34 -0.031 1.961 -6.286 1.00 0.00 C ATOM 523 O LEU A 34 0.619 1.685 -5.274 1.00 0.00 O ATOM 524 CB LEU A 34 -2.011 0.460 -6.775 1.00 0.00 C ATOM 525 CG LEU A 34 -1.560 -0.720 -5.917 1.00 0.00 C ATOM 526 CD1 LEU A 34 -2.629 -1.801 -5.905 1.00 0.00 C ATOM 527 CD2 LEU A 34 -0.247 -1.284 -6.442 1.00 0.00 C ATOM 0 H LEU A 34 -2.596 2.528 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.885 1.965 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.100 0.454 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.642 0.311 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.406 -0.369 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.295 -2.636 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.553 -1.394 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.807 -2.148 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.062 -2.124 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.381 -1.622 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.519 -0.510 -6.412 1.00 0.00 H new ATOM 539 N MET A 35 0.536 2.392 -7.408 1.00 0.00 N ATOM 540 CA MET A 35 1.974 2.635 -7.489 1.00 0.00 C ATOM 541 C MET A 35 2.363 3.758 -6.539 1.00 0.00 C ATOM 542 O MET A 35 3.432 3.728 -5.932 1.00 0.00 O ATOM 543 CB MET A 35 2.385 2.975 -8.926 1.00 0.00 C ATOM 544 CG MET A 35 3.867 3.306 -9.098 1.00 0.00 C ATOM 545 SD MET A 35 4.221 5.069 -8.954 1.00 0.00 S ATOM 546 CE MET A 35 3.373 5.682 -10.406 1.00 0.00 C ATOM 0 H MET A 35 0.025 2.580 -8.271 1.00 0.00 H new ATOM 0 HA MET A 35 2.501 1.727 -7.194 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.136 2.132 -9.571 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.794 3.824 -9.269 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.443 2.764 -8.349 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.201 2.953 -10.074 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.026 6.699 -10.222 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.057 5.680 -11.255 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.519 5.041 -10.626 1.00 0.00 H new ATOM 556 N ILE A 36 1.478 4.737 -6.406 1.00 0.00 N ATOM 557 CA ILE A 36 1.667 5.826 -5.459 1.00 0.00 C ATOM 558 C ILE A 36 1.752 5.285 -4.038 1.00 0.00 C ATOM 559 O ILE A 36 2.652 5.648 -3.283 1.00 0.00 O ATOM 560 CB ILE A 36 0.527 6.863 -5.572 1.00 0.00 C ATOM 561 CG1 ILE A 36 0.663 7.626 -6.893 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.523 7.817 -4.381 1.00 0.00 C ATOM 563 CD1 ILE A 36 -0.463 8.600 -7.158 1.00 0.00 C ATOM 0 H ILE A 36 0.616 4.798 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 36 2.605 6.326 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.428 6.339 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.608 8.170 -6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.710 6.909 -7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.291 8.534 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.384 7.250 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.473 8.350 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.294 9.101 -8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.410 8.061 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.498 9.342 -6.360 1.00 0.00 H new ATOM 575 N ALA A 37 0.830 4.391 -3.690 1.00 0.00 N ATOM 576 CA ALA A 37 0.840 3.759 -2.374 1.00 0.00 C ATOM 577 C ALA A 37 2.132 2.974 -2.158 1.00 0.00 C ATOM 578 O ALA A 37 2.713 2.994 -1.072 1.00 0.00 O ATOM 579 CB ALA A 37 -0.364 2.852 -2.208 1.00 0.00 C ATOM 0 H ALA A 37 0.069 4.089 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 37 0.788 4.545 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.338 2.390 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.278 3.438 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.343 2.075 -2.972 1.00 0.00 H new ATOM 585 N GLY A 38 2.577 2.288 -3.205 1.00 0.00 N ATOM 586 CA GLY A 38 3.841 1.576 -3.146 1.00 0.00 C ATOM 587 C GLY A 38 5.012 2.521 -2.993 1.00 0.00 C ATOM 588 O GLY A 38 5.962 2.235 -2.262 1.00 0.00 O ATOM 0 H GLY A 38 2.084 2.212 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.826 0.878 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.968 0.984 -4.053 1.00 0.00 H new ATOM 592 N ASN A 39 4.933 3.653 -3.684 1.00 0.00 N ATOM 593 CA ASN A 39 5.945 4.699 -3.591 1.00 0.00 C ATOM 594 C ASN A 39 6.013 5.211 -2.154 1.00 0.00 C ATOM 595 O ASN A 39 7.098 5.425 -1.605 1.00 0.00 O ATOM 596 CB ASN A 39 5.597 5.838 -4.558 1.00 0.00 C ATOM 597 CG ASN A 39 6.781 6.725 -4.901 1.00 0.00 C ATOM 598 OD1 ASN A 39 7.690 6.916 -4.098 1.00 0.00 O ATOM 599 ND2 ASN A 39 6.771 7.272 -6.107 1.00 0.00 N ATOM 0 H ASN A 39 4.168 3.871 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 39 6.920 4.298 -3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.193 5.413 -5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.810 6.450 -4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.538 7.878 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.996 7.088 -6.744 1.00 0.00 H new ATOM 606 N ILE A 40 4.838 5.374 -1.545 1.00 0.00 N ATOM 607 CA ILE A 40 4.738 5.754 -0.141 1.00 0.00 C ATOM 608 C ILE A 40 5.479 4.743 0.729 1.00 0.00 C ATOM 609 O ILE A 40 6.462 5.081 1.389 1.00 0.00 O ATOM 610 CB ILE A 40 3.264 5.826 0.340 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.441 6.788 -0.526 1.00 0.00 C ATOM 612 CG2 ILE A 40 3.196 6.244 1.803 1.00 0.00 C ATOM 613 CD1 ILE A 40 2.948 8.212 -0.522 1.00 0.00 C ATOM 0 H ILE A 40 3.938 5.247 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 40 5.184 6.744 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 40 2.835 4.829 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.433 6.420 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.408 6.781 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.154 6.288 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.731 5.517 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.654 7.226 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.311 8.827 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.929 8.602 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.970 8.235 -0.901 1.00 0.00 H new ATOM 625 N ALA A 41 5.016 3.495 0.693 1.00 0.00 N ATOM 626 CA ALA A 41 5.567 2.436 1.527 1.00 0.00 C ATOM 627 C ALA A 41 7.073 2.282 1.323 1.00 0.00 C ATOM 628 O ALA A 41 7.817 2.136 2.291 1.00 0.00 O ATOM 629 CB ALA A 41 4.852 1.120 1.249 1.00 0.00 C ATOM 0 H ALA A 41 4.253 3.193 0.088 1.00 0.00 H new ATOM 0 HA ALA A 41 5.405 2.714 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.274 0.337 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.790 1.230 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.980 0.851 0.201 1.00 0.00 H new ATOM 635 N THR A 42 7.515 2.339 0.068 1.00 0.00 N ATOM 636 CA THR A 42 8.934 2.222 -0.251 1.00 0.00 C ATOM 637 C THR A 42 9.741 3.292 0.485 1.00 0.00 C ATOM 638 O THR A 42 10.735 2.992 1.147 1.00 0.00 O ATOM 639 CB THR A 42 9.192 2.339 -1.772 1.00 0.00 C ATOM 640 OG1 THR A 42 8.463 1.320 -2.477 1.00 0.00 O ATOM 641 CG2 THR A 42 10.679 2.213 -2.083 1.00 0.00 C ATOM 0 H THR A 42 6.910 2.465 -0.743 1.00 0.00 H new ATOM 0 HA THR A 42 9.255 1.233 0.076 1.00 0.00 H new ATOM 0 HB THR A 42 8.850 3.321 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.526 1.592 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.834 2.299 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.226 3.006 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.042 1.244 -1.740 1.00 0.00 H new ATOM 649 N ASN A 43 9.290 4.535 0.399 1.00 0.00 N ATOM 650 CA ASN A 43 9.999 5.636 1.039 1.00 0.00 C ATOM 651 C ASN A 43 9.917 5.539 2.557 1.00 0.00 C ATOM 652 O ASN A 43 10.895 5.802 3.251 1.00 0.00 O ATOM 653 CB ASN A 43 9.450 6.988 0.579 1.00 0.00 C ATOM 654 CG ASN A 43 10.036 7.441 -0.743 1.00 0.00 C ATOM 655 OD1 ASN A 43 11.067 8.113 -0.777 1.00 0.00 O ATOM 656 ND2 ASN A 43 9.382 7.091 -1.835 1.00 0.00 N ATOM 0 H ASN A 43 8.444 4.806 -0.103 1.00 0.00 H new ATOM 0 HA ASN A 43 11.045 5.561 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.366 6.922 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.661 7.739 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.728 7.378 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.531 6.533 -1.763 1.00 0.00 H new ATOM 663 N VAL A 44 8.750 5.162 3.067 1.00 0.00 N ATOM 664 CA VAL A 44 8.567 5.001 4.506 1.00 0.00 C ATOM 665 C VAL A 44 9.522 3.947 5.057 1.00 0.00 C ATOM 666 O VAL A 44 10.200 4.178 6.053 1.00 0.00 O ATOM 667 CB VAL A 44 7.118 4.609 4.861 1.00 0.00 C ATOM 668 CG1 VAL A 44 6.970 4.385 6.361 1.00 0.00 C ATOM 669 CG2 VAL A 44 6.151 5.676 4.384 1.00 0.00 C ATOM 0 H VAL A 44 7.920 4.963 2.509 1.00 0.00 H new ATOM 0 HA VAL A 44 8.784 5.967 4.962 1.00 0.00 H new ATOM 0 HB VAL A 44 6.882 3.674 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.940 4.110 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.638 3.584 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.226 5.301 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.133 5.385 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.390 6.625 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.235 5.786 3.303 1.00 0.00 H new ATOM 679 N LEU A 45 9.588 2.807 4.386 1.00 0.00 N ATOM 680 CA LEU A 45 10.451 1.717 4.820 1.00 0.00 C ATOM 681 C LEU A 45 11.923 2.116 4.771 1.00 0.00 C ATOM 682 O LEU A 45 12.684 1.800 5.676 1.00 0.00 O ATOM 683 CB LEU A 45 10.211 0.472 3.963 1.00 0.00 C ATOM 684 CG LEU A 45 8.820 -0.154 4.106 1.00 0.00 C ATOM 685 CD1 LEU A 45 8.599 -1.221 3.046 1.00 0.00 C ATOM 686 CD2 LEU A 45 8.643 -0.747 5.497 1.00 0.00 C ATOM 0 H LEU A 45 9.055 2.612 3.539 1.00 0.00 H new ATOM 0 HA LEU A 45 10.200 1.488 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.369 0.733 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.959 -0.278 4.221 1.00 0.00 H new ATOM 0 HG LEU A 45 8.077 0.631 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.605 -1.653 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.683 -0.773 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.350 -2.003 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.649 -1.187 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.396 -1.517 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.756 0.038 6.244 1.00 0.00 H new ATOM 698 N ASN A 46 12.316 2.833 3.730 1.00 0.00 N ATOM 699 CA ASN A 46 13.721 3.202 3.556 1.00 0.00 C ATOM 700 C ASN A 46 14.121 4.388 4.428 1.00 0.00 C ATOM 701 O ASN A 46 15.309 4.640 4.627 1.00 0.00 O ATOM 702 CB ASN A 46 14.028 3.526 2.091 1.00 0.00 C ATOM 703 CG ASN A 46 14.178 2.286 1.234 1.00 0.00 C ATOM 704 OD1 ASN A 46 15.263 1.713 1.137 1.00 0.00 O ATOM 705 ND2 ASN A 46 13.099 1.872 0.591 1.00 0.00 N ATOM 0 H ASN A 46 11.693 3.171 2.997 1.00 0.00 H new ATOM 0 HA ASN A 46 14.305 2.337 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.229 4.147 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.946 4.112 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.148 1.050 -0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.218 2.374 0.698 1.00 0.00 H new ATOM 712 N GLN A 47 13.145 5.121 4.949 1.00 0.00 N ATOM 713 CA GLN A 47 13.446 6.331 5.709 1.00 0.00 C ATOM 714 C GLN A 47 12.840 6.310 7.109 1.00 0.00 C ATOM 715 O GLN A 47 13.562 6.310 8.104 1.00 0.00 O ATOM 716 CB GLN A 47 12.958 7.572 4.958 1.00 0.00 C ATOM 717 CG GLN A 47 13.631 7.775 3.610 1.00 0.00 C ATOM 718 CD GLN A 47 13.151 9.025 2.897 1.00 0.00 C ATOM 719 OE1 GLN A 47 12.772 10.009 3.531 1.00 0.00 O ATOM 720 NE2 GLN A 47 13.151 8.990 1.572 1.00 0.00 N ATOM 0 H GLN A 47 12.152 4.905 4.862 1.00 0.00 H new ATOM 0 HA GLN A 47 14.530 6.368 5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.881 7.495 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.132 8.452 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.710 7.835 3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.441 6.907 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.473 8.154 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.829 9.799 1.040 1.00 0.00 H new ATOM 729 N ARG A 48 11.516 6.280 7.187 1.00 0.00 N ATOM 730 CA ARG A 48 10.834 6.490 8.458 1.00 0.00 C ATOM 731 C ARG A 48 10.289 5.183 9.036 1.00 0.00 C ATOM 732 O ARG A 48 9.077 5.018 9.177 1.00 0.00 O ATOM 733 CB ARG A 48 9.696 7.513 8.298 1.00 0.00 C ATOM 734 CG ARG A 48 10.114 8.778 7.558 1.00 0.00 C ATOM 735 CD ARG A 48 9.216 9.965 7.882 1.00 0.00 C ATOM 736 NE ARG A 48 7.799 9.721 7.587 1.00 0.00 N ATOM 737 CZ ARG A 48 6.890 10.700 7.485 1.00 0.00 C ATOM 738 NH1 ARG A 48 7.270 11.968 7.570 1.00 0.00 N ATOM 739 NH2 ARG A 48 5.606 10.413 7.288 1.00 0.00 N ATOM 0 H ARG A 48 10.897 6.114 6.393 1.00 0.00 H new ATOM 0 HA ARG A 48 11.571 6.881 9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.870 7.045 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.322 7.786 9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.144 9.024 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.092 8.592 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.322 10.214 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.554 10.832 7.315 1.00 0.00 H new ATOM 0 HE ARG A 48 7.491 8.758 7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.254 12.197 7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.579 12.714 7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.306 9.441 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.921 11.165 7.212 1.00 0.00 H new ATOM 753 N VAL A 49 11.185 4.252 9.350 1.00 0.00 N ATOM 754 CA VAL A 49 10.809 3.032 10.054 1.00 0.00 C ATOM 755 C VAL A 49 12.063 2.292 10.519 1.00 0.00 C ATOM 756 O VAL A 49 13.125 2.400 9.896 1.00 0.00 O ATOM 757 CB VAL A 49 9.923 2.094 9.184 1.00 0.00 C ATOM 758 CG1 VAL A 49 10.751 1.270 8.210 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.072 1.186 10.058 1.00 0.00 C ATOM 0 H VAL A 49 12.178 4.320 9.127 1.00 0.00 H new ATOM 0 HA VAL A 49 10.213 3.325 10.918 1.00 0.00 H new ATOM 0 HB VAL A 49 9.263 2.732 8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.092 0.630 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.298 1.936 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.457 0.652 8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.462 0.540 9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.720 0.573 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.424 1.793 10.690 1.00 0.00 H new ATOM 769 N ALA A 50 11.945 1.560 11.622 1.00 0.00 N ATOM 770 CA ALA A 50 13.070 0.820 12.176 1.00 0.00 C ATOM 771 C ALA A 50 13.486 -0.315 11.249 1.00 0.00 C ATOM 772 O ALA A 50 12.637 -1.024 10.725 1.00 0.00 O ATOM 773 CB ALA A 50 12.712 0.273 13.548 1.00 0.00 C ATOM 0 H ALA A 50 11.078 1.464 12.150 1.00 0.00 H new ATOM 0 HA ALA A 50 13.913 1.504 12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.561 -0.279 13.953 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.464 1.098 14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.854 -0.394 13.461 1.00 0.00 H new ATOM 779 N ALA A 51 14.788 -0.467 11.043 1.00 0.00 N ATOM 780 CA ALA A 51 15.325 -1.535 10.203 1.00 0.00 C ATOM 781 C ALA A 51 14.940 -2.917 10.729 1.00 0.00 C ATOM 782 O ALA A 51 14.649 -3.828 9.953 1.00 0.00 O ATOM 783 CB ALA A 51 16.838 -1.410 10.109 1.00 0.00 C ATOM 0 H ALA A 51 15.499 0.141 11.449 1.00 0.00 H new ATOM 0 HA ALA A 51 14.890 -1.429 9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 51 17.231 -2.210 9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.097 -0.445 9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.272 -1.485 11.106 1.00 0.00 H new ATOM 789 N SER A 52 14.934 -3.065 12.048 1.00 0.00 N ATOM 790 CA SER A 52 14.551 -4.323 12.675 1.00 0.00 C ATOM 791 C SER A 52 13.058 -4.580 12.476 1.00 0.00 C ATOM 792 O SER A 52 12.635 -5.706 12.210 1.00 0.00 O ATOM 793 CB SER A 52 14.877 -4.282 14.170 1.00 0.00 C ATOM 794 OG SER A 52 16.204 -3.824 14.388 1.00 0.00 O ATOM 0 H SER A 52 15.191 -2.328 12.705 1.00 0.00 H new ATOM 0 HA SER A 52 15.113 -5.132 12.209 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.173 -3.626 14.682 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.756 -5.276 14.600 1.00 0.00 H new ATOM 0 HG SER A 52 16.389 -3.804 15.350 1.00 0.00 H new ATOM 800 N GLN A 53 12.273 -3.516 12.580 1.00 0.00 N ATOM 801 CA GLN A 53 10.822 -3.606 12.463 1.00 0.00 C ATOM 802 C GLN A 53 10.417 -3.718 10.997 1.00 0.00 C ATOM 803 O GLN A 53 9.359 -4.239 10.666 1.00 0.00 O ATOM 804 CB GLN A 53 10.187 -2.352 13.069 1.00 0.00 C ATOM 805 CG GLN A 53 8.736 -2.524 13.494 1.00 0.00 C ATOM 806 CD GLN A 53 8.544 -3.665 14.476 1.00 0.00 C ATOM 807 OE1 GLN A 53 8.251 -4.794 14.085 1.00 0.00 O ATOM 808 NE2 GLN A 53 8.732 -3.384 15.756 1.00 0.00 N ATOM 0 H GLN A 53 12.620 -2.572 12.747 1.00 0.00 H new ATOM 0 HA GLN A 53 10.477 -4.492 12.995 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.773 -2.046 13.936 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.246 -1.542 12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.382 -1.598 13.946 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.122 -2.703 12.611 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.974 -2.435 16.040 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.635 -4.117 16.459 1.00 0.00 H new ATOM 817 N ARG A 54 11.305 -3.242 10.139 1.00 0.00 N ATOM 818 CA ARG A 54 11.044 -3.063 8.715 1.00 0.00 C ATOM 819 C ARG A 54 10.528 -4.330 8.042 1.00 0.00 C ATOM 820 O ARG A 54 9.532 -4.297 7.320 1.00 0.00 O ATOM 821 CB ARG A 54 12.334 -2.600 8.042 1.00 0.00 C ATOM 822 CG ARG A 54 12.153 -2.053 6.642 1.00 0.00 C ATOM 823 CD ARG A 54 13.409 -1.329 6.199 1.00 0.00 C ATOM 824 NE ARG A 54 13.776 -0.272 7.146 1.00 0.00 N ATOM 825 CZ ARG A 54 14.942 0.373 7.141 1.00 0.00 C ATOM 826 NH1 ARG A 54 15.876 0.051 6.252 1.00 0.00 N ATOM 827 NH2 ARG A 54 15.169 1.342 8.023 1.00 0.00 N ATOM 0 H ARG A 54 12.246 -2.963 10.416 1.00 0.00 H new ATOM 0 HA ARG A 54 10.257 -2.316 8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.796 -1.831 8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.029 -3.438 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.930 -2.866 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.303 -1.371 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.229 -2.041 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.253 -0.897 5.211 1.00 0.00 H new ATOM 0 HE ARG A 54 13.092 -0.013 7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.700 -0.690 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.768 0.545 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.451 1.591 8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.061 1.836 8.020 1.00 0.00 H new ATOM 841 N LYS A 55 11.200 -5.444 8.279 1.00 0.00 N ATOM 842 CA LYS A 55 10.832 -6.692 7.629 1.00 0.00 C ATOM 843 C LYS A 55 9.506 -7.206 8.174 1.00 0.00 C ATOM 844 O LYS A 55 8.621 -7.600 7.414 1.00 0.00 O ATOM 845 CB LYS A 55 11.928 -7.742 7.827 1.00 0.00 C ATOM 846 CG LYS A 55 11.842 -8.923 6.866 1.00 0.00 C ATOM 847 CD LYS A 55 12.304 -8.546 5.460 1.00 0.00 C ATOM 848 CE LYS A 55 11.226 -7.822 4.662 1.00 0.00 C ATOM 849 NZ LYS A 55 10.163 -8.745 4.192 1.00 0.00 N ATOM 0 H LYS A 55 11.997 -5.511 8.912 1.00 0.00 H new ATOM 0 HA LYS A 55 10.720 -6.503 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.900 -7.263 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.877 -8.116 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.454 -9.743 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.815 -9.285 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.187 -7.911 5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.602 -9.448 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.781 -7.042 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.682 -7.328 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.452 -8.210 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.582 -9.475 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.709 -9.198 5.011 1.00 0.00 H new ATOM 863 N LEU A 56 9.371 -7.172 9.492 1.00 0.00 N ATOM 864 CA LEU A 56 8.176 -7.672 10.150 1.00 0.00 C ATOM 865 C LEU A 56 6.961 -6.828 9.801 1.00 0.00 C ATOM 866 O LEU A 56 5.901 -7.366 9.481 1.00 0.00 O ATOM 867 CB LEU A 56 8.369 -7.703 11.665 1.00 0.00 C ATOM 868 CG LEU A 56 9.407 -8.709 12.161 1.00 0.00 C ATOM 869 CD1 LEU A 56 9.528 -8.647 13.677 1.00 0.00 C ATOM 870 CD2 LEU A 56 9.034 -10.114 11.709 1.00 0.00 C ATOM 0 H LEU A 56 10.078 -6.802 10.127 1.00 0.00 H new ATOM 0 HA LEU A 56 8.003 -8.687 9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.660 -6.707 12.000 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.412 -7.930 12.134 1.00 0.00 H new ATOM 0 HG LEU A 56 10.375 -8.452 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.271 -9.370 14.013 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.835 -7.645 13.977 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.564 -8.881 14.129 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.781 -10.822 12.068 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.058 -10.379 12.114 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.996 -10.148 10.620 1.00 0.00 H new ATOM 882 N ILE A 57 7.127 -5.512 9.844 1.00 0.00 N ATOM 883 CA ILE A 57 6.030 -4.593 9.584 1.00 0.00 C ATOM 884 C ILE A 57 5.598 -4.680 8.118 1.00 0.00 C ATOM 885 O ILE A 57 4.443 -4.422 7.786 1.00 0.00 O ATOM 886 CB ILE A 57 6.402 -3.139 9.973 1.00 0.00 C ATOM 887 CG1 ILE A 57 5.140 -2.293 10.145 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.327 -2.505 8.942 1.00 0.00 C ATOM 889 CD1 ILE A 57 5.400 -0.959 10.809 1.00 0.00 C ATOM 0 H ILE A 57 8.015 -5.057 10.057 1.00 0.00 H new ATOM 0 HA ILE A 57 5.187 -4.888 10.209 1.00 0.00 H new ATOM 0 HB ILE A 57 6.936 -3.176 10.923 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.689 -2.123 9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.415 -2.851 10.738 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.567 -1.486 9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.245 -3.088 8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.831 -2.486 7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.463 -0.409 10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.823 -1.122 11.800 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.101 -0.383 10.206 1.00 0.00 H new ATOM 901 N ALA A 58 6.526 -5.081 7.252 1.00 0.00 N ATOM 902 CA ALA A 58 6.220 -5.298 5.845 1.00 0.00 C ATOM 903 C ALA A 58 5.426 -6.589 5.654 1.00 0.00 C ATOM 904 O ALA A 58 4.446 -6.620 4.906 1.00 0.00 O ATOM 905 CB ALA A 58 7.500 -5.329 5.025 1.00 0.00 C ATOM 0 H ALA A 58 7.498 -5.262 7.504 1.00 0.00 H new ATOM 0 HA ALA A 58 5.604 -4.469 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.256 -5.492 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.024 -4.379 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.139 -6.138 5.379 1.00 0.00 H new ATOM 911 N GLU A 59 5.848 -7.651 6.336 1.00 0.00 N ATOM 912 CA GLU A 59 5.121 -8.920 6.307 1.00 0.00 C ATOM 913 C GLU A 59 3.711 -8.737 6.861 1.00 0.00 C ATOM 914 O GLU A 59 2.734 -9.219 6.288 1.00 0.00 O ATOM 915 CB GLU A 59 5.854 -9.993 7.120 1.00 0.00 C ATOM 916 CG GLU A 59 6.672 -10.966 6.281 1.00 0.00 C ATOM 917 CD GLU A 59 7.843 -10.315 5.575 1.00 0.00 C ATOM 918 OE1 GLU A 59 7.667 -9.834 4.441 1.00 0.00 O ATOM 919 OE2 GLU A 59 8.957 -10.304 6.139 1.00 0.00 O ATOM 0 H GLU A 59 6.688 -7.659 6.915 1.00 0.00 H new ATOM 0 HA GLU A 59 5.063 -9.247 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.515 -9.502 7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.122 -10.557 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.043 -11.765 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.022 -11.430 5.539 1.00 0.00 H new ATOM 926 N LYS A 60 3.622 -8.027 7.978 1.00 0.00 N ATOM 927 CA LYS A 60 2.342 -7.743 8.617 1.00 0.00 C ATOM 928 C LYS A 60 1.478 -6.866 7.720 1.00 0.00 C ATOM 929 O LYS A 60 0.257 -7.020 7.675 1.00 0.00 O ATOM 930 CB LYS A 60 2.578 -7.077 9.976 1.00 0.00 C ATOM 931 CG LYS A 60 3.271 -7.999 10.968 1.00 0.00 C ATOM 932 CD LYS A 60 3.744 -7.271 12.216 1.00 0.00 C ATOM 933 CE LYS A 60 2.591 -6.688 13.014 1.00 0.00 C ATOM 934 NZ LYS A 60 3.014 -6.317 14.389 1.00 0.00 N ATOM 0 H LYS A 60 4.428 -7.634 8.464 1.00 0.00 H new ATOM 0 HA LYS A 60 1.809 -8.680 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.182 -6.180 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.622 -6.757 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.586 -8.797 11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.125 -8.472 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.307 -7.961 12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.427 -6.471 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.201 -5.808 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.779 -7.413 13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.203 -5.922 14.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.363 -7.162 14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.772 -5.607 14.339 1.00 0.00 H new ATOM 948 N PHE A 61 2.125 -5.958 6.995 1.00 0.00 N ATOM 949 CA PHE A 61 1.439 -5.120 6.021 1.00 0.00 C ATOM 950 C PHE A 61 0.776 -5.982 4.951 1.00 0.00 C ATOM 951 O PHE A 61 -0.418 -5.845 4.686 1.00 0.00 O ATOM 952 CB PHE A 61 2.426 -4.142 5.374 1.00 0.00 C ATOM 953 CG PHE A 61 1.864 -3.388 4.202 1.00 0.00 C ATOM 954 CD1 PHE A 61 0.932 -2.384 4.389 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.272 -3.688 2.912 1.00 0.00 C ATOM 956 CE1 PHE A 61 0.417 -1.692 3.312 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.760 -2.999 1.831 1.00 0.00 C ATOM 958 CZ PHE A 61 0.831 -2.000 2.032 1.00 0.00 C ATOM 0 H PHE A 61 3.128 -5.785 7.065 1.00 0.00 H new ATOM 0 HA PHE A 61 0.667 -4.550 6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.758 -3.427 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.307 -4.694 5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.604 -2.139 5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.999 -4.470 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.310 -0.909 3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.086 -3.242 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.428 -1.459 1.189 1.00 0.00 H new ATOM 968 N ALA A 62 1.554 -6.881 4.350 1.00 0.00 N ATOM 969 CA ALA A 62 1.038 -7.768 3.314 1.00 0.00 C ATOM 970 C ALA A 62 -0.083 -8.641 3.861 1.00 0.00 C ATOM 971 O ALA A 62 -1.105 -8.832 3.204 1.00 0.00 O ATOM 972 CB ALA A 62 2.151 -8.636 2.749 1.00 0.00 C ATOM 0 H ALA A 62 2.543 -7.013 4.564 1.00 0.00 H new ATOM 0 HA ALA A 62 0.636 -7.151 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.746 -9.291 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.924 -8.001 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.582 -9.240 3.547 1.00 0.00 H new ATOM 978 N GLN A 63 0.106 -9.154 5.071 1.00 0.00 N ATOM 979 CA GLN A 63 -0.903 -9.982 5.714 1.00 0.00 C ATOM 980 C GLN A 63 -2.201 -9.198 5.877 1.00 0.00 C ATOM 981 O GLN A 63 -3.272 -9.685 5.532 1.00 0.00 O ATOM 982 CB GLN A 63 -0.405 -10.477 7.079 1.00 0.00 C ATOM 983 CG GLN A 63 -1.324 -11.494 7.743 1.00 0.00 C ATOM 984 CD GLN A 63 -2.062 -10.941 8.956 1.00 0.00 C ATOM 985 OE1 GLN A 63 -2.379 -11.680 9.887 1.00 0.00 O ATOM 986 NE2 GLN A 63 -2.334 -9.644 8.963 1.00 0.00 N ATOM 0 H GLN A 63 0.950 -9.010 5.626 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.093 -10.849 5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.582 -10.922 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.287 -9.621 7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.053 -11.845 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.736 -12.359 8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.056 -9.060 8.174 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.821 -9.229 9.758 1.00 0.00 H new ATOM 995 N ALA A 64 -2.093 -7.974 6.384 1.00 0.00 N ATOM 996 CA ALA A 64 -3.260 -7.126 6.601 1.00 0.00 C ATOM 997 C ALA A 64 -3.928 -6.771 5.278 1.00 0.00 C ATOM 998 O ALA A 64 -5.154 -6.750 5.178 1.00 0.00 O ATOM 999 CB ALA A 64 -2.869 -5.863 7.351 1.00 0.00 C ATOM 0 H ALA A 64 -1.207 -7.546 6.653 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.975 -7.684 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.752 -5.243 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.442 -6.131 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.132 -5.308 6.770 1.00 0.00 H new ATOM 1005 N LEU A 65 -3.115 -6.506 4.266 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.616 -6.160 2.941 1.00 0.00 C ATOM 1007 C LEU A 65 -4.346 -7.341 2.311 1.00 0.00 C ATOM 1008 O LEU A 65 -5.453 -7.198 1.793 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.450 -5.728 2.047 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.833 -5.232 0.653 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.770 -4.047 0.765 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.590 -4.854 -0.142 1.00 0.00 C ATOM 0 H LEU A 65 -2.098 -6.524 4.337 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.323 -5.336 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.900 -4.937 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.768 -6.571 1.938 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.344 -6.037 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.038 -3.700 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.672 -4.345 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.275 -3.242 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.884 -4.503 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.052 -4.062 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.944 -5.726 -0.243 1.00 0.00 H new ATOM 1024 N MET A 66 -3.720 -8.507 2.379 1.00 0.00 N ATOM 1025 CA MET A 66 -4.249 -9.715 1.758 1.00 0.00 C ATOM 1026 C MET A 66 -5.478 -10.226 2.508 1.00 0.00 C ATOM 1027 O MET A 66 -6.386 -10.796 1.909 1.00 0.00 O ATOM 1028 CB MET A 66 -3.162 -10.792 1.731 1.00 0.00 C ATOM 1029 CG MET A 66 -3.404 -11.902 0.723 1.00 0.00 C ATOM 1030 SD MET A 66 -3.394 -11.307 -0.981 1.00 0.00 S ATOM 1031 CE MET A 66 -1.763 -10.571 -1.071 1.00 0.00 C ATOM 0 H MET A 66 -2.833 -8.643 2.865 1.00 0.00 H new ATOM 0 HA MET A 66 -4.554 -9.478 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.205 -10.320 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.079 -11.232 2.725 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.638 -12.668 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.363 -12.376 0.933 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.439 -10.530 -2.111 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.796 -9.562 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.060 -11.173 -0.496 1.00 0.00 H new ATOM 1041 N SER A 67 -5.510 -10.009 3.816 1.00 0.00 N ATOM 1042 CA SER A 67 -6.640 -10.440 4.625 1.00 0.00 C ATOM 1043 C SER A 67 -7.824 -9.491 4.448 1.00 0.00 C ATOM 1044 O SER A 67 -8.983 -9.909 4.503 1.00 0.00 O ATOM 1045 CB SER A 67 -6.234 -10.539 6.100 1.00 0.00 C ATOM 1046 OG SER A 67 -5.683 -9.320 6.567 1.00 0.00 O ATOM 0 H SER A 67 -4.770 -9.539 4.337 1.00 0.00 H new ATOM 0 HA SER A 67 -6.949 -11.430 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.104 -10.801 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.506 -11.341 6.226 1.00 0.00 H new ATOM 0 HG SER A 67 -4.712 -9.328 6.436 1.00 0.00 H new ATOM 1052 N SER A 68 -7.527 -8.214 4.211 1.00 0.00 N ATOM 1053 CA SER A 68 -8.567 -7.218 3.984 1.00 0.00 C ATOM 1054 C SER A 68 -8.967 -7.188 2.512 1.00 0.00 C ATOM 1055 O SER A 68 -9.844 -6.418 2.105 1.00 0.00 O ATOM 1056 CB SER A 68 -8.089 -5.837 4.435 1.00 0.00 C ATOM 1057 OG SER A 68 -7.702 -5.859 5.799 1.00 0.00 O ATOM 0 H SER A 68 -6.576 -7.848 4.172 1.00 0.00 H new ATOM 0 HA SER A 68 -9.442 -7.492 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.248 -5.519 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.885 -5.106 4.290 1.00 0.00 H new ATOM 0 HG SER A 68 -6.768 -6.147 5.869 1.00 0.00 H new ATOM 1063 N LEU A 69 -8.311 -8.023 1.719 1.00 0.00 N ATOM 1064 CA LEU A 69 -8.657 -8.190 0.324 1.00 0.00 C ATOM 1065 C LEU A 69 -9.964 -8.964 0.220 1.00 0.00 C ATOM 1066 O LEU A 69 -10.042 -10.127 0.616 1.00 0.00 O ATOM 1067 CB LEU A 69 -7.536 -8.925 -0.412 1.00 0.00 C ATOM 1068 CG LEU A 69 -7.809 -9.231 -1.881 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -7.928 -7.945 -2.683 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -6.723 -10.123 -2.451 1.00 0.00 C ATOM 0 H LEU A 69 -7.528 -8.599 2.027 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.784 -7.212 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.627 -8.326 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.338 -9.863 0.106 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.758 -9.763 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.123 -8.185 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.749 -7.345 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.998 -7.382 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.936 -10.330 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.759 -9.621 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.693 -11.060 -1.895 1.00 0.00 H new ATOM 1440 N THR B 8 2.861 9.904 -17.399 1.00 0.00 N ATOM 1441 CA THR B 8 3.608 11.141 -17.330 1.00 0.00 C ATOM 1442 C THR B 8 4.141 11.309 -15.912 1.00 0.00 C ATOM 1443 O THR B 8 3.371 11.501 -14.969 1.00 0.00 O ATOM 1444 CB THR B 8 2.738 12.350 -17.718 1.00 0.00 C ATOM 1445 OG1 THR B 8 2.106 12.102 -18.982 1.00 0.00 O ATOM 1446 CG2 THR B 8 3.572 13.619 -17.806 1.00 0.00 C ATOM 0 HA THR B 8 4.433 11.095 -18.041 1.00 0.00 H new ATOM 0 HB THR B 8 1.981 12.489 -16.946 1.00 0.00 H new ATOM 0 HG1 THR B 8 2.009 11.136 -19.116 1.00 0.00 H new ATOM 0 HG21 THR B 8 2.932 14.457 -18.082 1.00 0.00 H new ATOM 0 HG22 THR B 8 4.034 13.818 -16.839 1.00 0.00 H new ATOM 0 HG23 THR B 8 4.349 13.492 -18.560 1.00 0.00 H new ATOM 1454 N ASP B 9 5.457 11.211 -15.763 1.00 0.00 N ATOM 1455 CA ASP B 9 6.093 11.209 -14.445 1.00 0.00 C ATOM 1456 C ASP B 9 5.841 12.511 -13.688 1.00 0.00 C ATOM 1457 O ASP B 9 5.813 12.519 -12.458 1.00 0.00 O ATOM 1458 CB ASP B 9 7.599 10.955 -14.578 1.00 0.00 C ATOM 1459 CG ASP B 9 8.272 11.952 -15.490 1.00 0.00 C ATOM 1460 OD1 ASP B 9 8.226 11.749 -16.721 1.00 0.00 O ATOM 1461 OD2 ASP B 9 8.846 12.935 -14.988 1.00 0.00 O ATOM 0 H ASP B 9 6.110 11.131 -16.542 1.00 0.00 H new ATOM 0 HA ASP B 9 5.644 10.401 -13.868 1.00 0.00 H new ATOM 0 HB2 ASP B 9 8.061 10.999 -13.592 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.762 9.948 -14.961 1.00 0.00 H new ATOM 1466 N GLU B 10 5.645 13.604 -14.415 1.00 0.00 N ATOM 1467 CA GLU B 10 5.345 14.882 -13.783 1.00 0.00 C ATOM 1468 C GLU B 10 3.955 14.863 -13.156 1.00 0.00 C ATOM 1469 O GLU B 10 3.717 15.526 -12.148 1.00 0.00 O ATOM 1470 CB GLU B 10 5.478 16.030 -14.781 1.00 0.00 C ATOM 1471 CG GLU B 10 6.914 16.275 -15.205 1.00 0.00 C ATOM 1472 CD GLU B 10 7.061 17.488 -16.092 1.00 0.00 C ATOM 1473 OE1 GLU B 10 6.985 18.620 -15.571 1.00 0.00 O ATOM 1474 OE2 GLU B 10 7.260 17.314 -17.310 1.00 0.00 O ATOM 0 H GLU B 10 5.688 13.632 -15.434 1.00 0.00 H new ATOM 0 HA GLU B 10 6.072 15.044 -12.988 1.00 0.00 H new ATOM 0 HB2 GLU B 10 4.876 15.811 -15.663 1.00 0.00 H new ATOM 0 HB3 GLU B 10 5.074 16.940 -14.337 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.534 16.402 -14.317 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.288 15.397 -15.732 1.00 0.00 H new ATOM 1481 N GLN B 11 3.042 14.086 -13.737 1.00 0.00 N ATOM 1482 CA GLN B 11 1.734 13.891 -13.132 1.00 0.00 C ATOM 1483 C GLN B 11 1.904 13.180 -11.804 1.00 0.00 C ATOM 1484 O GLN B 11 1.361 13.602 -10.785 1.00 0.00 O ATOM 1485 CB GLN B 11 0.808 13.068 -14.033 1.00 0.00 C ATOM 1486 CG GLN B 11 0.475 13.730 -15.356 1.00 0.00 C ATOM 1487 CD GLN B 11 -0.572 12.962 -16.141 1.00 0.00 C ATOM 1488 OE1 GLN B 11 -0.573 12.966 -17.372 1.00 0.00 O ATOM 1489 NE2 GLN B 11 -1.476 12.300 -15.437 1.00 0.00 N ATOM 0 H GLN B 11 3.185 13.588 -14.616 1.00 0.00 H new ATOM 0 HA GLN B 11 1.277 14.870 -12.988 1.00 0.00 H new ATOM 0 HB2 GLN B 11 1.275 12.103 -14.230 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.119 12.869 -13.496 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.116 14.743 -15.172 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.382 13.817 -15.954 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -1.443 12.320 -14.418 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -2.205 11.770 -15.914 1.00 0.00 H new ATOM 1498 N VAL B 12 2.687 12.103 -11.833 1.00 0.00 N ATOM 1499 CA VAL B 12 2.987 11.328 -10.637 1.00 0.00 C ATOM 1500 C VAL B 12 3.571 12.226 -9.554 1.00 0.00 C ATOM 1501 O VAL B 12 3.102 12.225 -8.415 1.00 0.00 O ATOM 1502 CB VAL B 12 3.994 10.194 -10.929 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.256 9.382 -9.675 1.00 0.00 C ATOM 1504 CG2 VAL B 12 3.507 9.289 -12.047 1.00 0.00 C ATOM 0 H VAL B 12 3.127 11.747 -12.682 1.00 0.00 H new ATOM 0 HA VAL B 12 2.048 10.890 -10.298 1.00 0.00 H new ATOM 0 HB VAL B 12 4.926 10.656 -11.255 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.968 8.587 -9.898 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.667 10.030 -8.901 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.322 8.944 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.241 8.503 -12.225 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.556 8.839 -11.763 1.00 0.00 H new ATOM 0 HG23 VAL B 12 3.374 9.874 -12.957 1.00 0.00 H new ATOM 1514 N GLU B 13 4.586 12.998 -9.934 1.00 0.00 N ATOM 1515 CA GLU B 13 5.264 13.910 -9.019 1.00 0.00 C ATOM 1516 C GLU B 13 4.277 14.857 -8.348 1.00 0.00 C ATOM 1517 O GLU B 13 4.302 15.031 -7.130 1.00 0.00 O ATOM 1518 CB GLU B 13 6.320 14.722 -9.772 1.00 0.00 C ATOM 1519 CG GLU B 13 6.986 15.793 -8.924 1.00 0.00 C ATOM 1520 CD GLU B 13 7.944 16.653 -9.718 1.00 0.00 C ATOM 1521 OE1 GLU B 13 7.481 17.583 -10.413 1.00 0.00 O ATOM 1522 OE2 GLU B 13 9.166 16.404 -9.655 1.00 0.00 O ATOM 0 H GLU B 13 4.960 13.009 -10.883 1.00 0.00 H new ATOM 0 HA GLU B 13 5.745 13.310 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.084 14.044 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.854 15.194 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU B 13 6.219 16.427 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.524 15.319 -8.104 1.00 0.00 H new ATOM 1529 N LYS B 14 3.402 15.452 -9.145 1.00 0.00 N ATOM 1530 CA LYS B 14 2.460 16.439 -8.631 1.00 0.00 C ATOM 1531 C LYS B 14 1.453 15.801 -7.685 1.00 0.00 C ATOM 1532 O LYS B 14 1.063 16.408 -6.685 1.00 0.00 O ATOM 1533 CB LYS B 14 1.744 17.161 -9.775 1.00 0.00 C ATOM 1534 CG LYS B 14 2.397 18.479 -10.166 1.00 0.00 C ATOM 1535 CD LYS B 14 3.825 18.285 -10.647 1.00 0.00 C ATOM 1536 CE LYS B 14 4.541 19.615 -10.816 1.00 0.00 C ATOM 1537 NZ LYS B 14 5.887 19.445 -11.422 1.00 0.00 N ATOM 0 H LYS B 14 3.323 15.271 -10.146 1.00 0.00 H new ATOM 0 HA LYS B 14 3.031 17.176 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.716 16.506 -10.646 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.710 17.349 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.811 18.955 -10.952 1.00 0.00 H new ATOM 0 HG3 LYS B 14 2.391 19.155 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.369 17.666 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.821 17.750 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.941 20.274 -11.444 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.638 20.101 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 6.537 20.155 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.245 18.492 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.822 19.569 -12.452 1.00 0.00 H new ATOM 1551 N ILE B 15 1.043 14.575 -7.992 1.00 0.00 N ATOM 1552 CA ILE B 15 0.140 13.846 -7.114 1.00 0.00 C ATOM 1553 C ILE B 15 0.853 13.506 -5.809 1.00 0.00 C ATOM 1554 O ILE B 15 0.336 13.771 -4.724 1.00 0.00 O ATOM 1555 CB ILE B 15 -0.386 12.546 -7.759 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -1.037 12.838 -9.114 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -1.388 11.871 -6.831 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -1.506 11.599 -9.845 1.00 0.00 C ATOM 0 H ILE B 15 1.319 14.070 -8.834 1.00 0.00 H new ATOM 0 HA ILE B 15 -0.717 14.493 -6.924 1.00 0.00 H new ATOM 0 HB ILE B 15 0.458 11.875 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -1.887 13.503 -8.962 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -0.323 13.371 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.753 10.955 -7.295 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.903 11.630 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -2.226 12.544 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.956 11.886 -10.796 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.656 10.942 -10.029 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -2.244 11.076 -9.237 1.00 0.00 H new ATOM 1570 N LEU B 16 2.059 12.948 -5.929 1.00 0.00 N ATOM 1571 CA LEU B 16 2.869 12.598 -4.767 1.00 0.00 C ATOM 1572 C LEU B 16 3.095 13.817 -3.881 1.00 0.00 C ATOM 1573 O LEU B 16 3.013 13.727 -2.659 1.00 0.00 O ATOM 1574 CB LEU B 16 4.222 12.029 -5.199 1.00 0.00 C ATOM 1575 CG LEU B 16 4.181 10.674 -5.904 1.00 0.00 C ATOM 1576 CD1 LEU B 16 5.561 10.315 -6.430 1.00 0.00 C ATOM 1577 CD2 LEU B 16 3.675 9.591 -4.962 1.00 0.00 C ATOM 0 H LEU B 16 2.495 12.729 -6.825 1.00 0.00 H new ATOM 0 HA LEU B 16 2.327 11.840 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU B 16 4.702 12.748 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU B 16 4.855 11.939 -4.316 1.00 0.00 H new ATOM 0 HG LEU B 16 3.491 10.744 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.519 9.348 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU B 16 5.890 11.076 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.265 10.264 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.654 8.635 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.339 9.519 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU B 16 2.669 9.843 -4.625 1.00 0.00 H new ATOM 1589 N ALA B 17 3.375 14.954 -4.514 1.00 0.00 N ATOM 1590 CA ALA B 17 3.618 16.197 -3.796 1.00 0.00 C ATOM 1591 C ALA B 17 2.434 16.564 -2.911 1.00 0.00 C ATOM 1592 O ALA B 17 2.601 16.804 -1.715 1.00 0.00 O ATOM 1593 CB ALA B 17 3.918 17.327 -4.769 1.00 0.00 C ATOM 0 H ALA B 17 3.439 15.037 -5.529 1.00 0.00 H new ATOM 0 HA ALA B 17 4.486 16.046 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA B 17 4.097 18.248 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.804 17.078 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA B 17 3.069 17.466 -5.438 1.00 0.00 H new ATOM 1599 N GLU B 18 1.238 16.590 -3.492 1.00 0.00 N ATOM 1600 CA GLU B 18 0.045 16.961 -2.741 1.00 0.00 C ATOM 1601 C GLU B 18 -0.293 15.907 -1.688 1.00 0.00 C ATOM 1602 O GLU B 18 -0.700 16.248 -0.578 1.00 0.00 O ATOM 1603 CB GLU B 18 -1.145 17.181 -3.677 1.00 0.00 C ATOM 1604 CG GLU B 18 -0.939 18.324 -4.661 1.00 0.00 C ATOM 1605 CD GLU B 18 -2.172 18.619 -5.495 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -2.382 17.938 -6.517 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -2.926 19.554 -5.147 1.00 0.00 O ATOM 0 H GLU B 18 1.071 16.361 -4.472 1.00 0.00 H new ATOM 0 HA GLU B 18 0.257 17.899 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -1.335 16.263 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -2.035 17.382 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.655 19.222 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.109 18.080 -5.324 1.00 0.00 H new ATOM 1614 N VAL B 19 -0.110 14.636 -2.031 1.00 0.00 N ATOM 1615 CA VAL B 19 -0.380 13.542 -1.099 1.00 0.00 C ATOM 1616 C VAL B 19 0.566 13.593 0.102 1.00 0.00 C ATOM 1617 O VAL B 19 0.121 13.614 1.249 1.00 0.00 O ATOM 1618 CB VAL B 19 -0.268 12.161 -1.788 1.00 0.00 C ATOM 1619 CG1 VAL B 19 -0.342 11.033 -0.767 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -1.362 11.998 -2.832 1.00 0.00 C ATOM 0 H VAL B 19 0.224 14.336 -2.947 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.405 13.672 -0.751 1.00 0.00 H new ATOM 0 HB VAL B 19 0.702 12.109 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.261 10.074 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.476 11.134 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.294 11.083 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -1.269 11.021 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -2.338 12.077 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -1.265 12.779 -3.586 1.00 0.00 H new ATOM 1630 N ALA B 20 1.865 13.639 -0.167 1.00 0.00 N ATOM 1631 CA ALA B 20 2.868 13.659 0.894 1.00 0.00 C ATOM 1632 C ALA B 20 2.735 14.917 1.743 1.00 0.00 C ATOM 1633 O ALA B 20 3.040 14.911 2.938 1.00 0.00 O ATOM 1634 CB ALA B 20 4.268 13.562 0.306 1.00 0.00 C ATOM 0 H ALA B 20 2.250 13.663 -1.111 1.00 0.00 H new ATOM 0 HA ALA B 20 2.699 12.794 1.536 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.003 13.578 1.111 1.00 0.00 H new ATOM 0 HB2 ALA B 20 4.364 12.632 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA B 20 4.442 14.406 -0.361 1.00 0.00 H new ATOM 1640 N LEU B 21 2.274 15.990 1.116 1.00 0.00 N ATOM 1641 CA LEU B 21 2.037 17.243 1.813 1.00 0.00 C ATOM 1642 C LEU B 21 0.909 17.084 2.834 1.00 0.00 C ATOM 1643 O LEU B 21 0.959 17.666 3.919 1.00 0.00 O ATOM 1644 CB LEU B 21 1.719 18.347 0.796 1.00 0.00 C ATOM 1645 CG LEU B 21 1.368 19.715 1.379 1.00 0.00 C ATOM 1646 CD1 LEU B 21 2.025 20.818 0.565 1.00 0.00 C ATOM 1647 CD2 LEU B 21 -0.140 19.905 1.400 1.00 0.00 C ATOM 0 H LEU B 21 2.056 16.016 0.120 1.00 0.00 H new ATOM 0 HA LEU B 21 2.936 17.527 2.360 1.00 0.00 H new ATOM 0 HB2 LEU B 21 2.579 18.465 0.137 1.00 0.00 H new ATOM 0 HB3 LEU B 21 0.886 18.014 0.177 1.00 0.00 H new ATOM 0 HG LEU B 21 1.742 19.766 2.402 1.00 0.00 H new ATOM 0 HD11 LEU B 21 1.767 21.788 0.991 1.00 0.00 H new ATOM 0 HD12 LEU B 21 3.107 20.689 0.585 1.00 0.00 H new ATOM 0 HD13 LEU B 21 1.673 20.769 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.378 20.883 1.818 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -0.529 19.840 0.384 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -0.596 19.128 2.014 1.00 0.00 H new ATOM 1659 N VAL B 22 -0.088 16.269 2.500 1.00 0.00 N ATOM 1660 CA VAL B 22 -1.207 16.020 3.404 1.00 0.00 C ATOM 1661 C VAL B 22 -0.728 15.227 4.614 1.00 0.00 C ATOM 1662 O VAL B 22 -1.069 15.537 5.755 1.00 0.00 O ATOM 1663 CB VAL B 22 -2.352 15.251 2.697 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.444 14.861 3.682 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.938 16.084 1.566 1.00 0.00 C ATOM 0 H VAL B 22 -0.144 15.771 1.612 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.597 16.986 3.725 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.930 14.337 2.279 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.233 14.323 3.156 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.023 14.221 4.457 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.859 15.759 4.139 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.740 15.527 1.082 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.335 17.016 1.968 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -2.159 16.306 0.837 1.00 0.00 H new ATOM 1675 N LEU B 23 0.092 14.220 4.347 1.00 0.00 N ATOM 1676 CA LEU B 23 0.660 13.376 5.393 1.00 0.00 C ATOM 1677 C LEU B 23 1.442 14.211 6.399 1.00 0.00 C ATOM 1678 O LEU B 23 1.249 14.088 7.612 1.00 0.00 O ATOM 1679 CB LEU B 23 1.588 12.324 4.771 1.00 0.00 C ATOM 1680 CG LEU B 23 0.914 11.066 4.197 1.00 0.00 C ATOM 1681 CD1 LEU B 23 -0.347 11.399 3.417 1.00 0.00 C ATOM 1682 CD2 LEU B 23 1.891 10.336 3.293 1.00 0.00 C ATOM 0 H LEU B 23 0.382 13.964 3.403 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.160 12.880 5.913 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.157 12.801 3.973 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.305 12.011 5.530 1.00 0.00 H new ATOM 0 HG LEU B 23 0.627 10.432 5.036 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -0.789 10.481 3.030 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -1.060 11.896 4.074 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -0.097 12.059 2.586 1.00 0.00 H new ATOM 0 HD21 LEU B 23 1.414 9.445 2.886 1.00 0.00 H new ATOM 0 HD22 LEU B 23 2.191 10.992 2.476 1.00 0.00 H new ATOM 0 HD23 LEU B 23 2.771 10.046 3.867 1.00 0.00 H new ATOM 1694 N GLU B 24 2.310 15.070 5.881 1.00 0.00 N ATOM 1695 CA GLU B 24 3.184 15.879 6.719 1.00 0.00 C ATOM 1696 C GLU B 24 2.393 16.922 7.508 1.00 0.00 C ATOM 1697 O GLU B 24 2.572 17.060 8.715 1.00 0.00 O ATOM 1698 CB GLU B 24 4.242 16.568 5.856 1.00 0.00 C ATOM 1699 CG GLU B 24 5.650 16.461 6.420 1.00 0.00 C ATOM 1700 CD GLU B 24 6.173 15.036 6.430 1.00 0.00 C ATOM 1701 OE1 GLU B 24 6.784 14.616 5.425 1.00 0.00 O ATOM 1702 OE2 GLU B 24 5.990 14.331 7.446 1.00 0.00 O ATOM 0 H GLU B 24 2.427 15.225 4.880 1.00 0.00 H new ATOM 0 HA GLU B 24 3.672 15.217 7.434 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.225 16.131 4.857 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.982 17.621 5.748 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.321 17.085 5.830 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.660 16.854 7.437 1.00 0.00 H new ATOM 1709 N LYS B 25 1.503 17.636 6.825 1.00 0.00 N ATOM 1710 CA LYS B 25 0.744 18.715 7.455 1.00 0.00 C ATOM 1711 C LYS B 25 -0.260 18.189 8.475 1.00 0.00 C ATOM 1712 O LYS B 25 -0.694 18.926 9.357 1.00 0.00 O ATOM 1713 CB LYS B 25 0.025 19.557 6.401 1.00 0.00 C ATOM 1714 CG LYS B 25 0.960 20.424 5.576 1.00 0.00 C ATOM 1715 CD LYS B 25 0.216 21.155 4.468 1.00 0.00 C ATOM 1716 CE LYS B 25 -0.811 22.137 5.011 1.00 0.00 C ATOM 1717 NZ LYS B 25 -1.608 22.759 3.916 1.00 0.00 N ATOM 0 H LYS B 25 1.289 17.489 5.839 1.00 0.00 H new ATOM 0 HA LYS B 25 1.461 19.341 7.986 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.527 18.895 5.734 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -0.708 20.195 6.895 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.451 21.149 6.225 1.00 0.00 H new ATOM 0 HG3 LYS B 25 1.743 19.803 5.141 1.00 0.00 H new ATOM 0 HD2 LYS B 25 0.932 21.690 3.844 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -0.283 20.428 3.828 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -1.479 21.621 5.700 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.305 22.916 5.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.298 23.423 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -0.972 23.272 3.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -2.111 22.017 3.388 1.00 0.00 H new ATOM 1731 N HIS B 26 -0.639 16.925 8.356 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.558 16.324 9.314 1.00 0.00 C ATOM 1733 C HIS B 26 -0.800 15.558 10.389 1.00 0.00 C ATOM 1734 O HIS B 26 -1.410 14.926 11.250 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.562 15.399 8.621 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.649 16.116 7.874 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -4.930 16.259 8.360 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -3.647 16.711 6.659 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.664 16.907 7.477 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -4.912 17.193 6.433 1.00 0.00 N ATOM 0 H HIS B 26 -0.328 16.299 7.613 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.111 17.136 9.786 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.024 14.754 7.926 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.018 14.751 9.370 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.804 16.792 5.989 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.708 17.161 7.590 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.219 17.690 5.597 1.00 0.00 H new ATOM 1749 N ALA B 27 0.531 15.619 10.324 1.00 0.00 N ATOM 1750 CA ALA B 27 1.394 14.989 11.324 1.00 0.00 C ATOM 1751 C ALA B 27 1.118 13.491 11.419 1.00 0.00 C ATOM 1752 O ALA B 27 0.933 12.943 12.509 1.00 0.00 O ATOM 1753 CB ALA B 27 1.222 15.660 12.685 1.00 0.00 C ATOM 0 H ALA B 27 1.038 16.103 9.583 1.00 0.00 H new ATOM 0 HA ALA B 27 2.429 15.120 11.007 1.00 0.00 H new ATOM 0 HB1 ALA B 27 1.872 15.176 13.414 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.486 16.715 12.607 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.185 15.568 13.007 1.00 0.00 H new ATOM 1759 N ALA B 28 1.069 12.839 10.268 1.00 0.00 N ATOM 1760 CA ALA B 28 0.869 11.399 10.216 1.00 0.00 C ATOM 1761 C ALA B 28 2.110 10.660 10.707 1.00 0.00 C ATOM 1762 O ALA B 28 3.213 10.867 10.192 1.00 0.00 O ATOM 1763 CB ALA B 28 0.518 10.959 8.799 1.00 0.00 C ATOM 0 H ALA B 28 1.165 13.285 9.356 1.00 0.00 H new ATOM 0 HA ALA B 28 0.038 11.149 10.875 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.372 9.879 8.779 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.399 11.455 8.481 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.330 11.228 8.123 1.00 0.00 H new ATOM 1769 N SER B 29 1.927 9.820 11.718 1.00 0.00 N ATOM 1770 CA SER B 29 2.997 8.977 12.228 1.00 0.00 C ATOM 1771 C SER B 29 3.538 8.082 11.115 1.00 0.00 C ATOM 1772 O SER B 29 2.809 7.750 10.181 1.00 0.00 O ATOM 1773 CB SER B 29 2.464 8.116 13.376 1.00 0.00 C ATOM 1774 OG SER B 29 1.790 8.907 14.341 1.00 0.00 O ATOM 0 H SER B 29 1.038 9.705 12.204 1.00 0.00 H new ATOM 0 HA SER B 29 3.807 9.608 12.594 1.00 0.00 H new ATOM 0 HB2 SER B 29 1.784 7.361 12.982 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.290 7.585 13.850 1.00 0.00 H new ATOM 0 HG SER B 29 1.458 8.332 15.062 1.00 0.00 H new ATOM 1780 N PRO B 30 4.818 7.693 11.186 1.00 0.00 N ATOM 1781 CA PRO B 30 5.433 6.803 10.195 1.00 0.00 C ATOM 1782 C PRO B 30 4.627 5.524 9.956 1.00 0.00 C ATOM 1783 O PRO B 30 4.358 5.161 8.807 1.00 0.00 O ATOM 1784 CB PRO B 30 6.789 6.473 10.808 1.00 0.00 C ATOM 1785 CG PRO B 30 7.098 7.628 11.695 1.00 0.00 C ATOM 1786 CD PRO B 30 5.777 8.108 12.229 1.00 0.00 C ATOM 0 HA PRO B 30 5.493 7.277 9.215 1.00 0.00 H new ATOM 0 HB2 PRO B 30 6.752 5.541 11.371 1.00 0.00 H new ATOM 0 HB3 PRO B 30 7.551 6.350 10.039 1.00 0.00 H new ATOM 0 HG2 PRO B 30 7.761 7.330 12.507 1.00 0.00 H new ATOM 0 HG3 PRO B 30 7.606 8.419 11.143 1.00 0.00 H new ATOM 0 HD2 PRO B 30 5.544 7.655 13.193 1.00 0.00 H new ATOM 0 HD3 PRO B 30 5.771 9.188 12.375 1.00 0.00 H new ATOM 1794 N GLU B 31 4.226 4.854 11.038 1.00 0.00 N ATOM 1795 CA GLU B 31 3.453 3.615 10.924 1.00 0.00 C ATOM 1796 C GLU B 31 2.098 3.914 10.297 1.00 0.00 C ATOM 1797 O GLU B 31 1.618 3.174 9.436 1.00 0.00 O ATOM 1798 CB GLU B 31 3.235 2.932 12.285 1.00 0.00 C ATOM 1799 CG GLU B 31 4.251 3.284 13.361 1.00 0.00 C ATOM 1800 CD GLU B 31 3.955 4.614 14.024 1.00 0.00 C ATOM 1801 OE1 GLU B 31 3.101 4.659 14.940 1.00 0.00 O ATOM 1802 OE2 GLU B 31 4.573 5.621 13.637 1.00 0.00 O ATOM 0 H GLU B 31 4.421 5.145 11.996 1.00 0.00 H new ATOM 0 HA GLU B 31 4.027 2.933 10.296 1.00 0.00 H new ATOM 0 HB2 GLU B 31 2.241 3.193 12.648 1.00 0.00 H new ATOM 0 HB3 GLU B 31 3.247 1.852 12.137 1.00 0.00 H new ATOM 0 HG2 GLU B 31 4.262 2.499 14.117 1.00 0.00 H new ATOM 0 HG3 GLU B 31 5.247 3.315 12.920 1.00 0.00 H new ATOM 1809 N LEU B 32 1.495 5.015 10.729 1.00 0.00 N ATOM 1810 CA LEU B 32 0.218 5.456 10.190 1.00 0.00 C ATOM 1811 C LEU B 32 0.345 5.749 8.702 1.00 0.00 C ATOM 1812 O LEU B 32 -0.518 5.380 7.911 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.269 6.702 10.934 1.00 0.00 C ATOM 1814 CG LEU B 32 -1.547 7.333 10.382 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -2.691 6.333 10.419 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -1.902 8.583 11.172 1.00 0.00 C ATOM 0 H LEU B 32 1.875 5.621 11.456 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.512 4.658 10.327 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.435 6.440 11.979 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.524 7.450 10.915 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.375 7.618 9.344 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.594 6.798 10.023 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.434 5.464 9.813 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.867 6.019 11.448 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.814 9.022 10.768 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.058 8.320 12.218 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.088 9.304 11.097 1.00 0.00 H new ATOM 1828 N THR B 33 1.443 6.398 8.339 1.00 0.00 N ATOM 1829 CA THR B 33 1.738 6.725 6.952 1.00 0.00 C ATOM 1830 C THR B 33 1.667 5.477 6.075 1.00 0.00 C ATOM 1831 O THR B 33 1.047 5.481 5.010 1.00 0.00 O ATOM 1832 CB THR B 33 3.148 7.348 6.830 1.00 0.00 C ATOM 1833 OG1 THR B 33 3.230 8.555 7.598 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.496 7.644 5.382 1.00 0.00 C ATOM 0 H THR B 33 2.154 6.713 8.999 1.00 0.00 H new ATOM 0 HA THR B 33 0.992 7.444 6.614 1.00 0.00 H new ATOM 0 HB THR B 33 3.863 6.623 7.217 1.00 0.00 H new ATOM 0 HG1 THR B 33 3.247 8.335 8.553 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.493 8.081 5.329 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.475 6.719 4.806 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.770 8.345 4.969 1.00 0.00 H new ATOM 1842 N LEU B 34 2.278 4.401 6.548 1.00 0.00 N ATOM 1843 CA LEU B 34 2.337 3.170 5.785 1.00 0.00 C ATOM 1844 C LEU B 34 0.990 2.447 5.822 1.00 0.00 C ATOM 1845 O LEU B 34 0.578 1.837 4.832 1.00 0.00 O ATOM 1846 CB LEU B 34 3.466 2.282 6.317 1.00 0.00 C ATOM 1847 CG LEU B 34 3.899 1.151 5.383 1.00 0.00 C ATOM 1848 CD1 LEU B 34 5.392 0.904 5.509 1.00 0.00 C ATOM 1849 CD2 LEU B 34 3.134 -0.125 5.692 1.00 0.00 C ATOM 0 H LEU B 34 2.739 4.359 7.457 1.00 0.00 H new ATOM 0 HA LEU B 34 2.551 3.406 4.743 1.00 0.00 H new ATOM 0 HB2 LEU B 34 4.332 2.910 6.528 1.00 0.00 H new ATOM 0 HB3 LEU B 34 3.149 1.848 7.265 1.00 0.00 H new ATOM 0 HG LEU B 34 3.675 1.451 4.359 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.685 0.096 4.838 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.935 1.811 5.243 1.00 0.00 H new ATOM 0 HD13 LEU B 34 5.630 0.627 6.536 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.458 -0.916 5.016 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.328 -0.425 6.722 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.066 0.050 5.561 1.00 0.00 H new ATOM 1861 N MET B 35 0.287 2.533 6.950 1.00 0.00 N ATOM 1862 CA MET B 35 -1.041 1.934 7.054 1.00 0.00 C ATOM 1863 C MET B 35 -2.023 2.654 6.133 1.00 0.00 C ATOM 1864 O MET B 35 -2.948 2.046 5.595 1.00 0.00 O ATOM 1865 CB MET B 35 -1.553 1.946 8.502 1.00 0.00 C ATOM 1866 CG MET B 35 -2.917 1.287 8.662 1.00 0.00 C ATOM 1867 SD MET B 35 -3.327 0.911 10.375 1.00 0.00 S ATOM 1868 CE MET B 35 -3.373 2.549 11.092 1.00 0.00 C ATOM 0 H MET B 35 0.610 3.005 7.794 1.00 0.00 H new ATOM 0 HA MET B 35 -0.962 0.893 6.740 1.00 0.00 H new ATOM 0 HB2 MET B 35 -0.832 1.434 9.140 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.612 2.977 8.851 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.682 1.944 8.248 1.00 0.00 H new ATOM 0 HG3 MET B 35 -2.939 0.366 8.079 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.702 2.483 12.129 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.377 2.991 11.054 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.068 3.173 10.530 1.00 0.00 H new ATOM 1878 N ILE B 36 -1.813 3.951 5.941 1.00 0.00 N ATOM 1879 CA ILE B 36 -2.619 4.726 5.008 1.00 0.00 C ATOM 1880 C ILE B 36 -2.396 4.233 3.581 1.00 0.00 C ATOM 1881 O ILE B 36 -3.349 4.073 2.815 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.306 6.237 5.118 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -2.861 6.781 6.437 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.872 7.009 3.931 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -2.604 8.255 6.648 1.00 0.00 C ATOM 0 H ILE B 36 -1.090 4.488 6.420 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.668 4.585 5.268 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.224 6.370 5.104 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -3.936 6.601 6.469 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.420 6.223 7.263 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.635 8.067 4.039 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.432 6.631 3.008 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.954 6.881 3.896 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -3.027 8.565 7.604 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -1.530 8.441 6.649 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -3.069 8.824 5.843 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.140 3.959 3.240 1.00 0.00 N ATOM 1898 CA ALA B 37 -0.810 3.384 1.939 1.00 0.00 C ATOM 1899 C ALA B 37 -1.495 2.031 1.770 1.00 0.00 C ATOM 1900 O ALA B 37 -1.942 1.676 0.677 1.00 0.00 O ATOM 1901 CB ALA B 37 0.696 3.244 1.786 1.00 0.00 C ATOM 0 H ALA B 37 -0.336 4.125 3.845 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.172 4.055 1.160 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.924 2.814 0.811 1.00 0.00 H new ATOM 0 HB2 ALA B 37 1.163 4.226 1.868 1.00 0.00 H new ATOM 0 HB3 ALA B 37 1.082 2.592 2.569 1.00 0.00 H new ATOM 1907 N GLY B 38 -1.583 1.290 2.868 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.298 0.028 2.866 1.00 0.00 C ATOM 1909 C GLY B 38 -3.776 0.212 2.595 1.00 0.00 C ATOM 1910 O GLY B 38 -4.372 -0.554 1.841 1.00 0.00 O ATOM 0 H GLY B 38 -1.169 1.543 3.765 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -1.870 -0.630 2.109 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.165 -0.465 3.829 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.365 1.236 3.205 1.00 0.00 N ATOM 1915 CA ASN B 39 -5.764 1.570 2.963 1.00 0.00 C ATOM 1916 C ASN B 39 -5.979 1.921 1.499 1.00 0.00 C ATOM 1917 O ASN B 39 -6.978 1.523 0.899 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.212 2.733 3.853 1.00 0.00 C ATOM 1919 CG ASN B 39 -6.629 2.284 5.241 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -7.794 1.976 5.480 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -5.684 2.243 6.168 1.00 0.00 N ATOM 0 H ASN B 39 -3.895 1.849 3.871 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.367 0.696 3.210 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -5.399 3.454 3.938 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.046 3.249 3.377 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -5.913 1.948 7.117 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -4.727 2.506 5.933 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.025 2.654 0.923 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.068 2.982 -0.496 1.00 0.00 C ATOM 1930 C ILE B 40 -5.168 1.706 -1.325 1.00 0.00 C ATOM 1931 O ILE B 40 -6.129 1.522 -2.072 1.00 0.00 O ATOM 1932 CB ILE B 40 -3.824 3.784 -0.949 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -3.723 5.110 -0.186 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -3.879 4.044 -2.449 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -2.456 5.887 -0.476 1.00 0.00 C ATOM 0 H ILE B 40 -4.217 3.029 1.419 1.00 0.00 H new ATOM 0 HA ILE B 40 -5.948 3.605 -0.654 1.00 0.00 H new ATOM 0 HB ILE B 40 -2.937 3.191 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -4.584 5.730 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -3.777 4.908 0.884 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -2.998 4.609 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -3.903 3.094 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -4.776 4.616 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -2.457 6.812 0.100 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -1.590 5.287 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -2.408 6.122 -1.539 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.184 0.819 -1.169 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.160 -0.442 -1.895 1.00 0.00 C ATOM 1949 C ALA B 41 -5.434 -1.247 -1.659 1.00 0.00 C ATOM 1950 O ALA B 41 -6.035 -1.738 -2.606 1.00 0.00 O ATOM 1951 CB ALA B 41 -2.936 -1.254 -1.501 1.00 0.00 C ATOM 0 H ALA B 41 -3.391 0.956 -0.542 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.105 -0.214 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.931 -2.195 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.034 -0.690 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -2.965 -1.460 -0.431 1.00 0.00 H new ATOM 1957 N THR B 42 -5.854 -1.355 -0.401 1.00 0.00 N ATOM 1958 CA THR B 42 -7.052 -2.114 -0.046 1.00 0.00 C ATOM 1959 C THR B 42 -8.276 -1.602 -0.807 1.00 0.00 C ATOM 1960 O THR B 42 -8.966 -2.367 -1.488 1.00 0.00 O ATOM 1961 CB THR B 42 -7.329 -2.042 1.472 1.00 0.00 C ATOM 1962 OG1 THR B 42 -6.190 -2.511 2.201 1.00 0.00 O ATOM 1963 CG2 THR B 42 -8.550 -2.871 1.847 1.00 0.00 C ATOM 0 H THR B 42 -5.381 -0.925 0.393 1.00 0.00 H new ATOM 0 HA THR B 42 -6.868 -3.151 -0.325 1.00 0.00 H new ATOM 0 HB THR B 42 -7.525 -1.001 1.729 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.524 -1.795 2.263 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.721 -2.802 2.921 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.423 -2.493 1.315 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.381 -3.912 1.573 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.526 -0.303 -0.706 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.685 0.303 -1.349 1.00 0.00 C ATOM 1973 C ASN B 43 -9.593 0.174 -2.865 1.00 0.00 C ATOM 1974 O ASN B 43 -10.600 -0.049 -3.542 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.816 1.781 -0.956 1.00 0.00 C ATOM 1976 CG ASN B 43 -10.233 1.980 0.493 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -9.939 1.158 1.361 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -10.920 3.077 0.764 1.00 0.00 N ATOM 0 H ASN B 43 -7.942 0.351 -0.185 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.572 -0.230 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.862 2.281 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -10.547 2.260 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -11.225 3.265 1.719 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -11.145 3.735 0.018 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.384 0.300 -3.396 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.167 0.155 -4.828 1.00 0.00 C ATOM 1987 C VAL B 44 -8.396 -1.287 -5.268 1.00 0.00 C ATOM 1988 O VAL B 44 -9.063 -1.530 -6.265 1.00 0.00 O ATOM 1989 CB VAL B 44 -6.751 0.611 -5.244 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -6.468 0.266 -6.700 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -6.595 2.106 -5.020 1.00 0.00 C ATOM 0 H VAL B 44 -7.541 0.502 -2.858 1.00 0.00 H new ATOM 0 HA VAL B 44 -8.890 0.800 -5.327 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.029 0.080 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -5.464 0.599 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -6.541 -0.813 -6.839 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -7.196 0.764 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -5.593 2.416 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -7.332 2.642 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -6.748 2.334 -3.965 1.00 0.00 H new ATOM 2001 N LEU B 45 -7.873 -2.239 -4.514 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.011 -3.647 -4.869 1.00 0.00 C ATOM 2003 C LEU B 45 -9.474 -4.077 -4.878 1.00 0.00 C ATOM 2004 O LEU B 45 -9.933 -4.735 -5.811 1.00 0.00 O ATOM 2005 CB LEU B 45 -7.223 -4.535 -3.904 1.00 0.00 C ATOM 2006 CG LEU B 45 -5.703 -4.369 -3.953 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -5.039 -5.239 -2.900 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -5.170 -4.713 -5.335 1.00 0.00 C ATOM 0 H LEU B 45 -7.350 -2.067 -3.655 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.606 -3.766 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.562 -4.329 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -7.465 -5.577 -4.116 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.466 -3.326 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -3.958 -5.108 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.395 -4.949 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.287 -6.285 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.087 -4.588 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -5.419 -5.747 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -5.621 -4.051 -6.074 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.210 -3.680 -3.856 1.00 0.00 N ATOM 2021 CA ASN B 46 -11.574 -4.160 -3.671 1.00 0.00 C ATOM 2022 C ASN B 46 -12.583 -3.407 -4.537 1.00 0.00 C ATOM 2023 O ASN B 46 -13.657 -3.932 -4.827 1.00 0.00 O ATOM 2024 CB ASN B 46 -11.981 -4.061 -2.199 1.00 0.00 C ATOM 2025 CG ASN B 46 -11.098 -4.900 -1.294 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -10.566 -5.932 -1.703 1.00 0.00 O ATOM 2027 ND2 ASN B 46 -10.945 -4.470 -0.052 1.00 0.00 N ATOM 0 H ASN B 46 -9.890 -3.027 -3.140 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.585 -5.203 -3.987 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.935 -3.019 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.017 -4.382 -2.089 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -10.370 -4.999 0.604 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -11.402 -3.610 0.250 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.254 -2.187 -4.953 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.229 -1.352 -5.658 1.00 0.00 C ATOM 2036 C GLN B 47 -12.727 -0.837 -7.011 1.00 0.00 C ATOM 2037 O GLN B 47 -13.532 -0.514 -7.883 1.00 0.00 O ATOM 2038 CB GLN B 47 -13.638 -0.165 -4.776 1.00 0.00 C ATOM 2039 CG GLN B 47 -14.374 -0.563 -3.504 1.00 0.00 C ATOM 2040 CD GLN B 47 -14.696 0.625 -2.618 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -15.755 1.242 -2.739 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -13.784 0.951 -1.717 1.00 0.00 N ATOM 0 H GLN B 47 -11.338 -1.758 -4.819 1.00 0.00 H new ATOM 0 HA GLN B 47 -14.089 -1.990 -5.863 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -12.745 0.398 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -14.273 0.504 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -15.299 -1.074 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -13.766 -1.274 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -12.919 0.414 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -13.945 1.739 -1.090 1.00 0.00 H new ATOM 2051 N ARG B 48 -11.417 -0.757 -7.206 1.00 0.00 N ATOM 2052 CA ARG B 48 -10.883 -0.097 -8.399 1.00 0.00 C ATOM 2053 C ARG B 48 -10.054 -1.024 -9.292 1.00 0.00 C ATOM 2054 O ARG B 48 -9.660 -0.625 -10.386 1.00 0.00 O ATOM 2055 CB ARG B 48 -10.051 1.130 -8.006 1.00 0.00 C ATOM 2056 CG ARG B 48 -10.889 2.333 -7.597 1.00 0.00 C ATOM 2057 CD ARG B 48 -10.024 3.524 -7.208 1.00 0.00 C ATOM 2058 NE ARG B 48 -10.811 4.751 -7.085 1.00 0.00 N ATOM 2059 CZ ARG B 48 -10.509 5.773 -6.281 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -9.432 5.720 -5.503 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -11.290 6.849 -6.263 1.00 0.00 N ATOM 0 H ARG B 48 -10.713 -1.132 -6.570 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.748 0.211 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -9.391 0.861 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.415 1.410 -8.845 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -11.545 2.615 -8.421 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.529 2.061 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -9.524 3.316 -6.262 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -9.244 3.666 -7.956 1.00 0.00 H new ATOM 0 HE ARG B 48 -11.653 4.832 -7.656 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -8.832 4.896 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -9.206 6.504 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -12.115 6.890 -6.861 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.064 7.633 -5.651 1.00 0.00 H new ATOM 2075 N VAL B 49 -9.786 -2.245 -8.850 1.00 0.00 N ATOM 2076 CA VAL B 49 -8.995 -3.167 -9.659 1.00 0.00 C ATOM 2077 C VAL B 49 -9.803 -4.423 -9.990 1.00 0.00 C ATOM 2078 O VAL B 49 -10.820 -4.706 -9.350 1.00 0.00 O ATOM 2079 CB VAL B 49 -7.660 -3.550 -8.965 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -7.829 -4.747 -8.047 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -6.565 -3.809 -9.990 1.00 0.00 C ATOM 0 H VAL B 49 -10.097 -2.617 -7.953 1.00 0.00 H new ATOM 0 HA VAL B 49 -8.746 -2.652 -10.587 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.360 -2.701 -8.350 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -6.873 -4.985 -7.580 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -8.562 -4.513 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -8.173 -5.604 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -5.641 -4.075 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -6.865 -4.628 -10.644 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.403 -2.910 -10.585 1.00 0.00 H new ATOM 2091 N ALA B 50 -9.342 -5.168 -10.992 1.00 0.00 N ATOM 2092 CA ALA B 50 -10.038 -6.359 -11.459 1.00 0.00 C ATOM 2093 C ALA B 50 -10.060 -7.444 -10.394 1.00 0.00 C ATOM 2094 O ALA B 50 -9.057 -7.678 -9.721 1.00 0.00 O ATOM 2095 CB ALA B 50 -9.391 -6.881 -12.733 1.00 0.00 C ATOM 0 H ALA B 50 -8.481 -4.963 -11.499 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.070 -6.081 -11.672 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -9.921 -7.771 -13.072 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -9.439 -6.114 -13.506 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -8.349 -7.132 -12.535 1.00 0.00 H new ATOM 2101 N ALA B 51 -11.203 -8.110 -10.258 1.00 0.00 N ATOM 2102 CA ALA B 51 -11.380 -9.160 -9.263 1.00 0.00 C ATOM 2103 C ALA B 51 -10.391 -10.300 -9.482 1.00 0.00 C ATOM 2104 O ALA B 51 -9.807 -10.815 -8.525 1.00 0.00 O ATOM 2105 CB ALA B 51 -12.809 -9.682 -9.290 1.00 0.00 C ATOM 0 H ALA B 51 -12.028 -7.937 -10.832 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.183 -8.729 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -12.924 -10.466 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -13.498 -8.867 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -13.029 -10.088 -10.277 1.00 0.00 H new ATOM 2111 N SER B 52 -10.194 -10.676 -10.742 1.00 0.00 N ATOM 2112 CA SER B 52 -9.250 -11.732 -11.096 1.00 0.00 C ATOM 2113 C SER B 52 -7.825 -11.302 -10.786 1.00 0.00 C ATOM 2114 O SER B 52 -6.947 -12.128 -10.533 1.00 0.00 O ATOM 2115 CB SER B 52 -9.356 -12.050 -12.588 1.00 0.00 C ATOM 2116 OG SER B 52 -10.710 -12.170 -12.989 1.00 0.00 O ATOM 0 H SER B 52 -10.678 -10.263 -11.539 1.00 0.00 H new ATOM 0 HA SER B 52 -9.495 -12.617 -10.509 1.00 0.00 H new ATOM 0 HB2 SER B 52 -8.871 -11.264 -13.166 1.00 0.00 H new ATOM 0 HB3 SER B 52 -8.826 -12.978 -12.804 1.00 0.00 H new ATOM 0 HG SER B 52 -10.751 -12.372 -13.947 1.00 0.00 H new ATOM 2122 N GLN B 53 -7.605 -9.999 -10.798 1.00 0.00 N ATOM 2123 CA GLN B 53 -6.268 -9.460 -10.691 1.00 0.00 C ATOM 2124 C GLN B 53 -5.907 -9.153 -9.248 1.00 0.00 C ATOM 2125 O GLN B 53 -4.736 -9.024 -8.926 1.00 0.00 O ATOM 2126 CB GLN B 53 -6.148 -8.195 -11.538 1.00 0.00 C ATOM 2127 CG GLN B 53 -4.816 -8.090 -12.255 1.00 0.00 C ATOM 2128 CD GLN B 53 -4.631 -9.214 -13.258 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -5.595 -9.702 -13.847 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -3.400 -9.651 -13.446 1.00 0.00 N ATOM 0 H GLN B 53 -8.339 -9.296 -10.881 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.571 -10.213 -11.059 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.953 -8.178 -12.273 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -6.281 -7.322 -10.899 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.753 -7.130 -12.768 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.006 -8.116 -11.526 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.624 -9.223 -12.941 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.224 -10.417 -14.097 1.00 0.00 H new ATOM 2139 N ARG B 54 -6.914 -9.066 -8.385 1.00 0.00 N ATOM 2140 CA ARG B 54 -6.728 -8.612 -7.004 1.00 0.00 C ATOM 2141 C ARG B 54 -5.591 -9.338 -6.288 1.00 0.00 C ATOM 2142 O ARG B 54 -4.622 -8.711 -5.864 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.028 -8.765 -6.214 1.00 0.00 C ATOM 2144 CG ARG B 54 -9.117 -7.815 -6.677 1.00 0.00 C ATOM 2145 CD ARG B 54 -10.411 -7.997 -5.904 1.00 0.00 C ATOM 2146 NE ARG B 54 -11.445 -7.077 -6.379 1.00 0.00 N ATOM 2147 CZ ARG B 54 -12.753 -7.319 -6.320 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -13.197 -8.445 -5.777 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -13.614 -6.432 -6.802 1.00 0.00 N ATOM 0 H ARG B 54 -7.878 -9.306 -8.617 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.451 -7.559 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.385 -9.791 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.827 -8.591 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -8.771 -6.788 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -9.306 -7.973 -7.739 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.759 -9.025 -6.009 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.230 -7.828 -4.842 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.143 -6.190 -6.783 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.536 -9.127 -5.404 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -14.199 -8.629 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.274 -5.565 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.616 -6.617 -6.757 1.00 0.00 H new ATOM 2163 N LYS B 55 -5.698 -10.655 -6.171 1.00 0.00 N ATOM 2164 CA LYS B 55 -4.716 -11.433 -5.418 1.00 0.00 C ATOM 2165 C LYS B 55 -3.371 -11.442 -6.144 1.00 0.00 C ATOM 2166 O LYS B 55 -2.313 -11.408 -5.518 1.00 0.00 O ATOM 2167 CB LYS B 55 -5.231 -12.866 -5.209 1.00 0.00 C ATOM 2168 CG LYS B 55 -4.714 -13.545 -3.940 1.00 0.00 C ATOM 2169 CD LYS B 55 -3.259 -13.976 -4.054 1.00 0.00 C ATOM 2170 CE LYS B 55 -2.747 -14.553 -2.743 1.00 0.00 C ATOM 2171 NZ LYS B 55 -1.351 -15.052 -2.857 1.00 0.00 N ATOM 0 H LYS B 55 -6.450 -11.207 -6.584 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.571 -10.969 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.320 -12.846 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -4.948 -13.470 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.821 -12.861 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -5.331 -14.417 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.159 -14.720 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.646 -13.122 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.796 -13.788 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.398 -15.368 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -1.055 -15.467 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -1.301 -15.776 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -0.719 -14.262 -3.099 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.427 -11.451 -7.469 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.229 -11.549 -8.290 1.00 0.00 C ATOM 2187 C LEU B 56 -1.421 -10.249 -8.232 1.00 0.00 C ATOM 2188 O LEU B 56 -0.208 -10.271 -8.016 1.00 0.00 O ATOM 2189 CB LEU B 56 -2.631 -11.885 -9.739 1.00 0.00 C ATOM 2190 CG LEU B 56 -1.508 -12.375 -10.674 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -0.609 -11.230 -11.113 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -0.687 -13.464 -9.999 1.00 0.00 C ATOM 0 H LEU B 56 -4.296 -11.391 -8.000 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.594 -12.346 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -3.406 -12.651 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -3.079 -10.996 -10.183 1.00 0.00 H new ATOM 0 HG LEU B 56 -1.979 -12.791 -11.565 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.171 -11.612 -11.771 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.201 -10.486 -11.646 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -0.152 -10.770 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.101 -13.797 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -0.240 -13.070 -9.087 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.333 -14.306 -9.752 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.097 -9.124 -8.407 1.00 0.00 N ATOM 2205 CA ILE B 57 -1.432 -7.831 -8.457 1.00 0.00 C ATOM 2206 C ILE B 57 -0.963 -7.412 -7.065 1.00 0.00 C ATOM 2207 O ILE B 57 0.071 -6.763 -6.923 1.00 0.00 O ATOM 2208 CB ILE B 57 -2.345 -6.742 -9.080 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -1.527 -5.507 -9.460 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -3.474 -6.353 -8.133 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -2.314 -4.483 -10.250 1.00 0.00 C ATOM 0 H ILE B 57 -3.110 -9.081 -8.517 1.00 0.00 H new ATOM 0 HA ILE B 57 -0.558 -7.934 -9.101 1.00 0.00 H new ATOM 0 HB ILE B 57 -2.790 -7.162 -9.982 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -1.146 -5.040 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -0.662 -5.819 -10.045 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.094 -5.588 -8.601 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.083 -7.230 -7.913 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.053 -5.962 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -1.673 -3.634 -10.486 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -2.673 -4.934 -11.175 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -3.164 -4.142 -9.659 1.00 0.00 H new ATOM 2223 N ALA B 58 -1.712 -7.812 -6.039 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.319 -7.550 -4.660 1.00 0.00 C ATOM 2225 C ALA B 58 -0.074 -8.349 -4.314 1.00 0.00 C ATOM 2226 O ALA B 58 0.789 -7.891 -3.565 1.00 0.00 O ATOM 2227 CB ALA B 58 -2.454 -7.892 -3.706 1.00 0.00 C ATOM 0 H ALA B 58 -2.592 -8.318 -6.138 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.095 -6.488 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.142 -7.690 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.327 -7.284 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.708 -8.947 -3.806 1.00 0.00 H new ATOM 2233 N GLU B 59 0.011 -9.547 -4.879 1.00 0.00 N ATOM 2234 CA GLU B 59 1.177 -10.397 -4.708 1.00 0.00 C ATOM 2235 C GLU B 59 2.397 -9.729 -5.338 1.00 0.00 C ATOM 2236 O GLU B 59 3.447 -9.607 -4.708 1.00 0.00 O ATOM 2237 CB GLU B 59 0.938 -11.766 -5.353 1.00 0.00 C ATOM 2238 CG GLU B 59 2.004 -12.796 -5.022 1.00 0.00 C ATOM 2239 CD GLU B 59 1.990 -13.194 -3.561 1.00 0.00 C ATOM 2240 OE1 GLU B 59 1.160 -14.047 -3.183 1.00 0.00 O ATOM 2241 OE2 GLU B 59 2.817 -12.670 -2.784 1.00 0.00 O ATOM 0 H GLU B 59 -0.721 -9.952 -5.463 1.00 0.00 H new ATOM 0 HA GLU B 59 1.356 -10.541 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -0.032 -12.145 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.888 -11.643 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.853 -13.682 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU B 59 2.985 -12.394 -5.277 1.00 0.00 H new ATOM 2248 N LYS B 60 2.245 -9.287 -6.583 1.00 0.00 N ATOM 2249 CA LYS B 60 3.315 -8.582 -7.280 1.00 0.00 C ATOM 2250 C LYS B 60 3.719 -7.327 -6.514 1.00 0.00 C ATOM 2251 O LYS B 60 4.905 -7.033 -6.370 1.00 0.00 O ATOM 2252 CB LYS B 60 2.883 -8.213 -8.702 1.00 0.00 C ATOM 2253 CG LYS B 60 2.754 -9.412 -9.629 1.00 0.00 C ATOM 2254 CD LYS B 60 2.353 -9.000 -11.038 1.00 0.00 C ATOM 2255 CE LYS B 60 3.294 -7.948 -11.606 1.00 0.00 C ATOM 2256 NZ LYS B 60 3.100 -7.749 -13.066 1.00 0.00 N ATOM 0 H LYS B 60 1.392 -9.405 -7.129 1.00 0.00 H new ATOM 0 HA LYS B 60 4.176 -9.248 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.926 -7.693 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.606 -7.515 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.703 -9.948 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.012 -10.103 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.352 -9.876 -11.687 1.00 0.00 H new ATOM 0 HD3 LYS B 60 1.335 -8.610 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.134 -7.002 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.325 -8.245 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 3.762 -7.024 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 3.278 -8.644 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 2.124 -7.440 -13.248 1.00 0.00 H new ATOM 2270 N PHE B 61 2.724 -6.607 -6.011 1.00 0.00 N ATOM 2271 CA PHE B 61 2.958 -5.411 -5.211 1.00 0.00 C ATOM 2272 C PHE B 61 3.828 -5.731 -3.997 1.00 0.00 C ATOM 2273 O PHE B 61 4.806 -5.036 -3.723 1.00 0.00 O ATOM 2274 CB PHE B 61 1.618 -4.813 -4.765 1.00 0.00 C ATOM 2275 CG PHE B 61 1.744 -3.661 -3.809 1.00 0.00 C ATOM 2276 CD1 PHE B 61 2.181 -2.424 -4.249 1.00 0.00 C ATOM 2277 CD2 PHE B 61 1.420 -3.815 -2.471 1.00 0.00 C ATOM 2278 CE1 PHE B 61 2.295 -1.363 -3.375 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.532 -2.756 -1.591 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.970 -1.528 -2.044 1.00 0.00 C ATOM 0 H PHE B 61 1.738 -6.833 -6.145 1.00 0.00 H new ATOM 0 HA PHE B 61 3.488 -4.681 -5.823 1.00 0.00 H new ATOM 0 HB2 PHE B 61 1.070 -4.480 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE B 61 1.022 -5.596 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.436 -2.288 -5.290 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.076 -4.774 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.639 -0.403 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.277 -2.889 -0.550 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.058 -0.698 -1.358 1.00 0.00 H new ATOM 2290 N ALA B 62 3.473 -6.795 -3.285 1.00 0.00 N ATOM 2291 CA ALA B 62 4.212 -7.197 -2.097 1.00 0.00 C ATOM 2292 C ALA B 62 5.639 -7.610 -2.446 1.00 0.00 C ATOM 2293 O ALA B 62 6.587 -7.196 -1.782 1.00 0.00 O ATOM 2294 CB ALA B 62 3.489 -8.330 -1.381 1.00 0.00 C ATOM 0 H ALA B 62 2.678 -7.393 -3.511 1.00 0.00 H new ATOM 0 HA ALA B 62 4.267 -6.338 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA B 62 4.054 -8.619 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.494 -7.997 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.401 -9.186 -2.050 1.00 0.00 H new ATOM 2300 N GLN B 63 5.791 -8.411 -3.497 1.00 0.00 N ATOM 2301 CA GLN B 63 7.113 -8.858 -3.930 1.00 0.00 C ATOM 2302 C GLN B 63 7.985 -7.668 -4.322 1.00 0.00 C ATOM 2303 O GLN B 63 9.152 -7.584 -3.933 1.00 0.00 O ATOM 2304 CB GLN B 63 7.008 -9.833 -5.107 1.00 0.00 C ATOM 2305 CG GLN B 63 7.366 -11.270 -4.750 1.00 0.00 C ATOM 2306 CD GLN B 63 6.372 -11.928 -3.805 1.00 0.00 C ATOM 2307 OE1 GLN B 63 6.743 -12.773 -2.989 1.00 0.00 O ATOM 2308 NE2 GLN B 63 5.104 -11.571 -3.923 1.00 0.00 N ATOM 0 H GLN B 63 5.019 -8.763 -4.063 1.00 0.00 H new ATOM 0 HA GLN B 63 7.576 -9.376 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.991 -9.808 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN B 63 7.665 -9.493 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN B 63 7.428 -11.858 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN B 63 8.355 -11.286 -4.292 1.00 0.00 H new ATOM 0 HE21 GLN B 63 4.834 -10.867 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN B 63 4.396 -11.999 -3.327 1.00 0.00 H new ATOM 2317 N ALA B 64 7.409 -6.744 -5.080 1.00 0.00 N ATOM 2318 CA ALA B 64 8.122 -5.546 -5.497 1.00 0.00 C ATOM 2319 C ALA B 64 8.516 -4.705 -4.290 1.00 0.00 C ATOM 2320 O ALA B 64 9.636 -4.200 -4.215 1.00 0.00 O ATOM 2321 CB ALA B 64 7.274 -4.728 -6.458 1.00 0.00 C ATOM 0 H ALA B 64 6.449 -6.802 -5.418 1.00 0.00 H new ATOM 0 HA ALA B 64 9.032 -5.854 -6.012 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.823 -3.836 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA B 64 7.043 -5.327 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA B 64 6.347 -4.434 -5.966 1.00 0.00 H new ATOM 2327 N LEU B 65 7.596 -4.585 -3.338 1.00 0.00 N ATOM 2328 CA LEU B 65 7.827 -3.800 -2.130 1.00 0.00 C ATOM 2329 C LEU B 65 8.974 -4.388 -1.308 1.00 0.00 C ATOM 2330 O LEU B 65 9.778 -3.656 -0.733 1.00 0.00 O ATOM 2331 CB LEU B 65 6.550 -3.734 -1.287 1.00 0.00 C ATOM 2332 CG LEU B 65 6.606 -2.767 -0.105 1.00 0.00 C ATOM 2333 CD1 LEU B 65 6.896 -1.360 -0.590 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.301 -2.796 0.670 1.00 0.00 C ATOM 0 H LEU B 65 6.677 -5.025 -3.381 1.00 0.00 H new ATOM 0 HA LEU B 65 8.105 -2.789 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.720 -3.447 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.329 -4.733 -0.910 1.00 0.00 H new ATOM 0 HG LEU B 65 7.410 -3.082 0.560 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.933 -0.682 0.262 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.855 -1.344 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU B 65 6.109 -1.041 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.360 -2.101 1.508 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.481 -2.504 0.013 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.123 -3.804 1.046 1.00 0.00 H new ATOM 2346 N MET B 66 9.052 -5.712 -1.264 1.00 0.00 N ATOM 2347 CA MET B 66 10.128 -6.388 -0.543 1.00 0.00 C ATOM 2348 C MET B 66 11.447 -6.235 -1.285 1.00 0.00 C ATOM 2349 O MET B 66 12.520 -6.306 -0.691 1.00 0.00 O ATOM 2350 CB MET B 66 9.809 -7.873 -0.352 1.00 0.00 C ATOM 2351 CG MET B 66 8.517 -8.117 0.398 1.00 0.00 C ATOM 2352 SD MET B 66 8.502 -7.333 2.020 1.00 0.00 S ATOM 2353 CE MET B 66 6.779 -7.539 2.458 1.00 0.00 C ATOM 0 H MET B 66 8.387 -6.339 -1.717 1.00 0.00 H new ATOM 0 HA MET B 66 10.217 -5.922 0.438 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.750 -8.353 -1.329 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.629 -8.347 0.187 1.00 0.00 H new ATOM 0 HG2 MET B 66 7.682 -7.740 -0.192 1.00 0.00 H new ATOM 0 HG3 MET B 66 8.366 -9.190 0.515 1.00 0.00 H new ATOM 0 HE1 MET B 66 6.697 -7.744 3.525 1.00 0.00 H new ATOM 0 HE2 MET B 66 6.232 -6.627 2.221 1.00 0.00 H new ATOM 0 HE3 MET B 66 6.358 -8.372 1.895 1.00 0.00 H new ATOM 2363 N SER B 67 11.358 -6.012 -2.586 1.00 0.00 N ATOM 2364 CA SER B 67 12.539 -5.867 -3.420 1.00 0.00 C ATOM 2365 C SER B 67 13.094 -4.441 -3.336 1.00 0.00 C ATOM 2366 O SER B 67 14.289 -4.220 -3.532 1.00 0.00 O ATOM 2367 CB SER B 67 12.193 -6.243 -4.861 1.00 0.00 C ATOM 2368 OG SER B 67 11.639 -7.552 -4.914 1.00 0.00 O ATOM 0 H SER B 67 10.475 -5.927 -3.089 1.00 0.00 H new ATOM 0 HA SER B 67 13.317 -6.539 -3.059 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.483 -5.524 -5.270 1.00 0.00 H new ATOM 0 HB3 SER B 67 13.088 -6.195 -5.481 1.00 0.00 H new ATOM 0 HG SER B 67 10.691 -7.516 -4.669 1.00 0.00 H new ATOM 2374 N SER B 68 12.226 -3.483 -3.027 1.00 0.00 N ATOM 2375 CA SER B 68 12.645 -2.100 -2.837 1.00 0.00 C ATOM 2376 C SER B 68 12.873 -1.814 -1.351 1.00 0.00 C ATOM 2377 O SER B 68 13.178 -0.686 -0.951 1.00 0.00 O ATOM 2378 CB SER B 68 11.595 -1.149 -3.422 1.00 0.00 C ATOM 2379 OG SER B 68 10.292 -1.468 -2.956 1.00 0.00 O ATOM 0 H SER B 68 11.226 -3.640 -2.903 1.00 0.00 H new ATOM 0 HA SER B 68 13.587 -1.938 -3.362 1.00 0.00 H new ATOM 0 HB2 SER B 68 11.840 -0.122 -3.150 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.618 -1.204 -4.510 1.00 0.00 H new ATOM 0 HG SER B 68 9.959 -2.257 -3.432 1.00 0.00 H new ATOM 2385 N LEU B 69 12.730 -2.852 -0.537 1.00 0.00 N ATOM 2386 CA LEU B 69 12.914 -2.738 0.900 1.00 0.00 C ATOM 2387 C LEU B 69 14.368 -3.018 1.267 1.00 0.00 C ATOM 2388 O LEU B 69 14.830 -4.157 1.187 1.00 0.00 O ATOM 2389 CB LEU B 69 11.961 -3.705 1.627 1.00 0.00 C ATOM 2390 CG LEU B 69 11.998 -3.675 3.160 1.00 0.00 C ATOM 2391 CD1 LEU B 69 10.615 -3.960 3.715 1.00 0.00 C ATOM 2392 CD2 LEU B 69 12.980 -4.702 3.703 1.00 0.00 C ATOM 0 H LEU B 69 12.485 -3.790 -0.854 1.00 0.00 H new ATOM 0 HA LEU B 69 12.677 -1.722 1.215 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.943 -3.487 1.306 1.00 0.00 H new ATOM 0 HB3 LEU B 69 12.188 -4.719 1.300 1.00 0.00 H new ATOM 0 HG LEU B 69 12.324 -2.683 3.471 1.00 0.00 H new ATOM 0 HD11 LEU B 69 10.648 -3.937 4.804 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.916 -3.204 3.357 1.00 0.00 H new ATOM 0 HD13 LEU B 69 10.285 -4.944 3.383 1.00 0.00 H new ATOM 0 HD21 LEU B 69 12.986 -4.659 4.792 1.00 0.00 H new ATOM 0 HD22 LEU B 69 12.679 -5.699 3.381 1.00 0.00 H new ATOM 0 HD23 LEU B 69 13.979 -4.485 3.326 1.00 0.00 H new