USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 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 49 THR OG1 : rot 54:sc= -3.24! USER MOD Set 1.2: B 51 THR OG1 : rot 81:sc= -0.829 USER MOD Set 2.1: B 28 LYS NZ :NH3+ -124:sc= -0.326 (180deg=-0.495) USER MOD Set 2.2: B 32 GLN : amide:sc= -0.846 K(o=-1.2,f=-0.34) USER MOD Set 3.1: B 8 ASN : amide:sc= -1.27! X(o=-1.3!,f=-0.85) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0.0143 USER MOD Set 4.1: B 1 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 4.2: B 1 MET N :NH3+ 168:sc= -0.0746! (180deg=-0.593!) USER MOD Set 4.3: B 3 TYR OH : rot 166:sc= -0.503 USER MOD Set 5.1: A 49 THR OG1 : rot 57:sc= -3.08! USER MOD Set 5.2: A 51 THR OG1 : rot 79:sc= -0.542 USER MOD Set 6.1: A 28 LYS NZ :NH3+ -151:sc= -0.0436 (180deg=-0.48) USER MOD Set 6.2: A 32 GLN : amide:sc= -0.849 K(o=-0.89,f=-0.19) USER MOD Set 7.1: A 8 ASN : amide:sc= -1.28! X(o=-1.3!,f=-0.84) USER MOD Set 7.2: A 55 THR OG1 : rot 180:sc= 0.0205 USER MOD Set 8.1: A 1 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 8.2: A 1 MET N :NH3+ 166:sc= -0.0782! (180deg=-0.416!) USER MOD Set 8.3: A 3 TYR OH : rot 168:sc= -0.809 USER MOD Single : A 2 GLN : amide:sc= -3.69 K(o=-3.7,f=-2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= 0.315 (180deg=-4.09!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -113:sc= -2.55! USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0.0741 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.18) USER MOD Single : A 37 ASN : amide:sc= -5.54! C(o=-5.5!,f=-6.9!) USER MOD Single : A 44 THR OG1 : rot 46:sc=-0.00143 USER MOD Single : A 45 TYR OH : rot -13:sc= -3.3! USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.231) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 GLN : amide:sc= -3.78 K(o=-3.8,f=-2.3) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -124:sc= 0.24 (180deg=-4.13!) USER MOD Single : B 16 THR OG1 : rot 180:sc= -1.05 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.215 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -113:sc= -2.62! USER MOD Single : B 31 LYS NZ :NH3+ -151:sc= 0.11 (180deg=0.0016) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -3.61! C(o=-3.6!,f=-7.7!) USER MOD Single : B 37 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.3!) USER MOD Single : B 44 THR OG1 : rot 49:sc= 0.132 USER MOD Single : B 45 TYR OH : rot -4:sc= -3.27! USER MOD Single : B 50 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.186) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.219 5.724 -18.458 1.00 0.00 N ATOM 2 CA MET A 1 -5.386 6.241 -17.688 1.00 0.00 C ATOM 3 C MET A 1 -5.225 5.869 -16.221 1.00 0.00 C ATOM 4 O MET A 1 -4.121 5.567 -15.764 1.00 0.00 O ATOM 5 CB MET A 1 -6.680 5.640 -18.261 1.00 0.00 C ATOM 6 CG MET A 1 -6.880 4.183 -17.805 1.00 0.00 C ATOM 7 SD MET A 1 -5.298 3.301 -17.783 1.00 0.00 S ATOM 8 CE MET A 1 -5.252 2.838 -19.532 1.00 0.00 C ATOM 0 H1 MET A 1 -4.430 5.762 -19.476 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.383 6.309 -18.256 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.028 4.740 -18.181 1.00 0.00 H new ATOM 0 HA MET A 1 -5.438 7.327 -17.771 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.532 6.241 -17.944 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.649 5.680 -19.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.327 4.165 -16.811 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.575 3.678 -18.476 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.387 2.201 -19.717 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.163 2.297 -19.789 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.179 3.737 -20.144 1.00 0.00 H new ATOM 20 N GLN A 2 -6.334 5.853 -15.495 1.00 0.00 N ATOM 21 CA GLN A 2 -6.297 5.473 -14.103 1.00 0.00 C ATOM 22 C GLN A 2 -6.022 3.994 -14.054 1.00 0.00 C ATOM 23 O GLN A 2 -6.754 3.218 -14.649 1.00 0.00 O ATOM 24 CB GLN A 2 -7.648 5.741 -13.422 1.00 0.00 C ATOM 25 CG GLN A 2 -7.494 5.584 -11.903 1.00 0.00 C ATOM 26 CD GLN A 2 -6.808 6.814 -11.344 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.273 7.923 -11.572 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.676 6.687 -10.692 1.00 0.00 N ATOM 0 H GLN A 2 -7.259 6.097 -15.849 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.531 6.051 -13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.995 6.746 -13.661 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.400 5.046 -13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.471 5.454 -11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.911 4.692 -11.674 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.296 5.759 -10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.177 7.516 -10.371 1.00 0.00 H new ATOM 37 N TYR A 3 -5.013 3.596 -13.306 1.00 0.00 N ATOM 38 CA TYR A 3 -4.697 2.187 -13.150 1.00 0.00 C ATOM 39 C TYR A 3 -5.093 1.811 -11.754 1.00 0.00 C ATOM 40 O TYR A 3 -5.322 2.701 -10.940 1.00 0.00 O ATOM 41 CB TYR A 3 -3.217 1.937 -13.381 1.00 0.00 C ATOM 42 CG TYR A 3 -2.918 2.245 -14.824 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.089 1.251 -15.807 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.454 3.520 -15.196 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.842 1.550 -17.161 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.193 3.811 -16.547 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.410 2.834 -17.530 1.00 0.00 C ATOM 48 OH TYR A 3 -2.151 3.115 -18.852 1.00 0.00 O ATOM 0 H TYR A 3 -4.396 4.228 -12.795 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.234 1.583 -13.882 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.616 2.566 -12.724 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.964 0.902 -13.151 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.409 0.260 -15.523 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.298 4.277 -14.442 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.985 0.791 -17.916 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.825 4.787 -16.828 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.058 4.084 -18.968 1.00 0.00 H new ATOM 58 N LYS A 4 -5.179 0.530 -11.430 1.00 0.00 N ATOM 59 CA LYS A 4 -5.548 0.132 -10.086 1.00 0.00 C ATOM 60 C LYS A 4 -4.659 -1.013 -9.670 1.00 0.00 C ATOM 61 O LYS A 4 -4.132 -1.723 -10.522 1.00 0.00 O ATOM 62 CB LYS A 4 -7.013 -0.291 -10.046 1.00 0.00 C ATOM 63 CG LYS A 4 -7.401 -0.635 -8.608 1.00 0.00 C ATOM 64 CD LYS A 4 -8.912 -0.875 -8.516 1.00 0.00 C ATOM 65 CE LYS A 4 -9.282 -2.224 -9.133 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.699 -2.547 -8.794 1.00 0.00 N ATOM 0 H LYS A 4 -5.000 -0.242 -12.073 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.420 0.969 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.646 0.512 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.172 -1.153 -10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.863 -1.524 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.112 0.177 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.227 -0.848 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.445 -0.075 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.153 -2.190 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.619 -3.003 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.955 -3.464 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.806 -2.595 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.324 -1.807 -9.173 1.00 0.00 H new ATOM 80 N LEU A 5 -4.471 -1.188 -8.371 1.00 0.00 N ATOM 81 CA LEU A 5 -3.614 -2.265 -7.884 1.00 0.00 C ATOM 82 C LEU A 5 -4.287 -3.056 -6.796 1.00 0.00 C ATOM 83 O LEU A 5 -4.854 -2.505 -5.857 1.00 0.00 O ATOM 84 CB LEU A 5 -2.284 -1.692 -7.395 1.00 0.00 C ATOM 85 CG LEU A 5 -1.291 -2.836 -7.044 1.00 0.00 C ATOM 86 CD1 LEU A 5 0.126 -2.466 -7.498 1.00 0.00 C ATOM 87 CD2 LEU A 5 -1.276 -3.067 -5.525 1.00 0.00 C ATOM 0 H LEU A 5 -4.891 -0.610 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.423 -2.949 -8.711 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.853 -1.052 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.452 -1.067 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.615 -3.742 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.812 -3.275 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.133 -2.307 -8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.443 -1.553 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.578 -3.870 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.963 -2.152 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.276 -3.343 -5.189 1.00 0.00 H new ATOM 99 N ILE A 6 -4.218 -4.365 -6.967 1.00 0.00 N ATOM 100 CA ILE A 6 -4.813 -5.308 -6.046 1.00 0.00 C ATOM 101 C ILE A 6 -3.706 -5.964 -5.262 1.00 0.00 C ATOM 102 O ILE A 6 -2.730 -6.440 -5.845 1.00 0.00 O ATOM 103 CB ILE A 6 -5.583 -6.336 -6.859 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.561 -5.576 -7.762 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.332 -7.276 -5.915 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.290 -6.545 -8.689 1.00 0.00 C ATOM 0 H ILE A 6 -3.743 -4.803 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.495 -4.818 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.910 -6.939 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.283 -5.033 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.021 -4.835 -8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.884 -8.013 -6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.619 -7.786 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.028 -6.700 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.981 -5.991 -9.324 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.564 -7.068 -9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.846 -7.269 -8.094 1.00 0.00 H new ATOM 118 N LEU A 7 -3.822 -5.964 -3.938 1.00 0.00 N ATOM 119 CA LEU A 7 -2.789 -6.531 -3.088 1.00 0.00 C ATOM 120 C LEU A 7 -3.208 -7.896 -2.540 1.00 0.00 C ATOM 121 O LEU A 7 -4.189 -8.021 -1.808 1.00 0.00 O ATOM 122 CB LEU A 7 -2.525 -5.535 -1.950 1.00 0.00 C ATOM 123 CG LEU A 7 -1.343 -5.972 -1.078 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.055 -6.066 -1.917 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.153 -4.945 0.049 1.00 0.00 C ATOM 0 H LEU A 7 -4.620 -5.578 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.878 -6.695 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.324 -4.549 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.418 -5.443 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.551 -6.956 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.772 -6.378 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.193 -6.795 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.168 -5.091 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.314 -5.245 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.951 -3.965 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.059 -4.896 0.653 1.00 0.00 H new ATOM 137 N ASN A 8 -2.390 -8.896 -2.854 1.00 0.00 N ATOM 138 CA ASN A 8 -2.599 -10.250 -2.338 1.00 0.00 C ATOM 139 C ASN A 8 -1.354 -10.705 -1.610 1.00 0.00 C ATOM 140 O ASN A 8 -0.249 -10.658 -2.147 1.00 0.00 O ATOM 141 CB ASN A 8 -2.970 -11.251 -3.434 1.00 0.00 C ATOM 142 CG ASN A 8 -3.856 -10.596 -4.460 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.052 -10.438 -4.240 1.00 0.00 O ATOM 144 ND2 ASN A 8 -3.311 -10.224 -5.595 1.00 0.00 N ATOM 0 H ASN A 8 -1.577 -8.797 -3.462 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.445 -10.215 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.066 -11.629 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.481 -12.108 -2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.885 -9.792 -6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.313 -10.367 -5.753 1.00 0.00 H new ATOM 151 N GLY A 9 -1.542 -11.141 -0.386 1.00 0.00 N ATOM 152 CA GLY A 9 -0.422 -11.606 0.413 1.00 0.00 C ATOM 153 C GLY A 9 -0.867 -12.117 1.773 1.00 0.00 C ATOM 154 O GLY A 9 -2.052 -12.349 2.003 1.00 0.00 O ATOM 0 H GLY A 9 -2.449 -11.185 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.099 -12.401 -0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.291 -10.792 0.547 1.00 0.00 H new ATOM 158 N LYS A 10 0.103 -12.316 2.668 1.00 0.00 N ATOM 159 CA LYS A 10 -0.179 -12.832 4.010 1.00 0.00 C ATOM 160 C LYS A 10 -0.024 -11.734 5.057 1.00 0.00 C ATOM 161 O LYS A 10 -0.910 -11.518 5.885 1.00 0.00 O ATOM 162 CB LYS A 10 0.798 -13.972 4.334 1.00 0.00 C ATOM 163 CG LYS A 10 1.001 -14.875 3.108 1.00 0.00 C ATOM 164 CD LYS A 10 -0.316 -15.552 2.707 1.00 0.00 C ATOM 165 CE LYS A 10 -0.061 -16.474 1.512 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.331 -17.150 1.116 1.00 0.00 N ATOM 0 H LYS A 10 1.089 -12.128 2.489 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.206 -13.196 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.756 -13.559 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.414 -14.561 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.380 -14.284 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.752 -15.633 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.715 -16.124 3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.062 -14.800 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.332 -15.898 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.693 -17.218 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.153 -17.775 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.688 -17.713 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.038 -16.434 0.853 1.00 0.00 H new ATOM 180 N THR A 11 1.119 -11.062 5.021 1.00 0.00 N ATOM 181 CA THR A 11 1.409 -9.998 5.973 1.00 0.00 C ATOM 182 C THR A 11 0.763 -8.689 5.539 1.00 0.00 C ATOM 183 O THR A 11 0.778 -7.706 6.280 1.00 0.00 O ATOM 184 CB THR A 11 2.932 -9.797 6.072 1.00 0.00 C ATOM 185 OG1 THR A 11 3.561 -11.060 6.242 1.00 0.00 O ATOM 186 CG2 THR A 11 3.296 -8.888 7.267 1.00 0.00 C ATOM 0 H THR A 11 1.861 -11.235 4.343 1.00 0.00 H new ATOM 0 HA THR A 11 1.003 -10.286 6.943 1.00 0.00 H new ATOM 0 HB THR A 11 3.276 -9.320 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.531 -10.937 6.304 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.378 -8.763 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.823 -7.914 7.140 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.944 -9.345 8.192 1.00 0.00 H new ATOM 194 N LEU A 12 0.215 -8.666 4.325 1.00 0.00 N ATOM 195 CA LEU A 12 -0.407 -7.445 3.816 1.00 0.00 C ATOM 196 C LEU A 12 -1.508 -7.754 2.796 1.00 0.00 C ATOM 197 O LEU A 12 -1.379 -8.669 1.982 1.00 0.00 O ATOM 198 CB LEU A 12 0.693 -6.566 3.180 1.00 0.00 C ATOM 199 CG LEU A 12 0.395 -5.061 3.411 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.817 -4.660 4.839 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.149 -4.172 2.376 1.00 0.00 C ATOM 0 H LEU A 12 0.188 -9.461 3.687 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.882 -6.915 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.662 -6.820 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.755 -6.770 2.111 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.676 -4.903 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.606 -3.602 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.259 -5.254 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.884 -4.840 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.921 -3.123 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.223 -4.332 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.831 -4.438 1.368 1.00 0.00 H new ATOM 213 N LYS A 13 -2.561 -6.939 2.814 1.00 0.00 N ATOM 214 CA LYS A 13 -3.663 -7.064 1.859 1.00 0.00 C ATOM 215 C LYS A 13 -4.281 -5.688 1.633 1.00 0.00 C ATOM 216 O LYS A 13 -4.197 -4.829 2.507 1.00 0.00 O ATOM 217 CB LYS A 13 -4.731 -8.040 2.353 1.00 0.00 C ATOM 218 CG LYS A 13 -4.227 -9.477 2.201 1.00 0.00 C ATOM 219 CD LYS A 13 -5.318 -10.437 2.668 1.00 0.00 C ATOM 220 CE LYS A 13 -4.798 -11.872 2.629 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.367 -12.214 1.246 1.00 0.00 N ATOM 0 H LYS A 13 -2.675 -6.179 3.485 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.266 -7.459 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.968 -7.836 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.651 -7.905 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.969 -9.678 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.320 -9.622 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.631 -10.181 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.196 -10.342 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.962 -11.984 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.577 -12.560 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.810 -13.109 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.657 -11.457 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.332 -12.315 1.220 1.00 0.00 H new ATOM 235 N GLY A 14 -4.906 -5.471 0.479 1.00 0.00 N ATOM 236 CA GLY A 14 -5.526 -4.166 0.209 1.00 0.00 C ATOM 237 C GLY A 14 -5.614 -3.858 -1.287 1.00 0.00 C ATOM 238 O GLY A 14 -5.446 -4.738 -2.134 1.00 0.00 O ATOM 0 H GLY A 14 -4.999 -6.158 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.527 -4.147 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.950 -3.384 0.704 1.00 0.00 H new ATOM 242 N GLU A 15 -5.895 -2.589 -1.600 1.00 0.00 N ATOM 243 CA GLU A 15 -6.016 -2.137 -2.987 1.00 0.00 C ATOM 244 C GLU A 15 -5.556 -0.678 -3.099 1.00 0.00 C ATOM 245 O GLU A 15 -6.119 0.199 -2.445 1.00 0.00 O ATOM 246 CB GLU A 15 -7.483 -2.219 -3.454 1.00 0.00 C ATOM 247 CG GLU A 15 -7.971 -3.671 -3.516 1.00 0.00 C ATOM 248 CD GLU A 15 -9.474 -3.681 -3.779 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.891 -3.442 -4.934 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.231 -3.819 -2.793 1.00 0.00 O ATOM 0 H GLU A 15 -6.043 -1.855 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.395 -2.780 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.115 -1.650 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.579 -1.759 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.447 -4.210 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.750 -4.183 -2.579 1.00 0.00 H new ATOM 257 N THR A 16 -4.565 -0.404 -3.959 1.00 0.00 N ATOM 258 CA THR A 16 -4.091 0.977 -4.164 1.00 0.00 C ATOM 259 C THR A 16 -4.554 1.418 -5.542 1.00 0.00 C ATOM 260 O THR A 16 -4.955 0.576 -6.346 1.00 0.00 O ATOM 261 CB THR A 16 -2.553 1.088 -4.060 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.956 0.729 -5.293 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.023 0.174 -2.948 1.00 0.00 C ATOM 0 H THR A 16 -4.081 -1.107 -4.518 1.00 0.00 H new ATOM 0 HA THR A 16 -4.502 1.617 -3.383 1.00 0.00 H new ATOM 0 HB THR A 16 -2.297 2.120 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.982 0.804 -5.219 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.938 0.265 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.464 0.467 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.289 -0.860 -3.169 1.00 0.00 H new ATOM 271 N THR A 17 -4.494 2.713 -5.853 1.00 0.00 N ATOM 272 CA THR A 17 -4.912 3.177 -7.169 1.00 0.00 C ATOM 273 C THR A 17 -4.071 4.379 -7.567 1.00 0.00 C ATOM 274 O THR A 17 -3.924 5.323 -6.793 1.00 0.00 O ATOM 275 CB THR A 17 -6.409 3.551 -7.149 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.104 2.662 -6.287 1.00 0.00 O ATOM 277 CG2 THR A 17 -7.006 3.446 -8.557 1.00 0.00 C ATOM 0 H THR A 17 -4.166 3.445 -5.223 1.00 0.00 H new ATOM 0 HA THR A 17 -4.767 2.380 -7.899 1.00 0.00 H new ATOM 0 HB THR A 17 -6.509 4.577 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.055 2.898 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.062 3.713 -8.525 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.480 4.126 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.901 2.424 -8.921 1.00 0.00 H new ATOM 285 N THR A 18 -3.522 4.353 -8.775 1.00 0.00 N ATOM 286 CA THR A 18 -2.701 5.466 -9.251 1.00 0.00 C ATOM 287 C THR A 18 -2.947 5.677 -10.729 1.00 0.00 C ATOM 288 O THR A 18 -3.260 4.728 -11.452 1.00 0.00 O ATOM 289 CB THR A 18 -1.197 5.177 -9.002 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.507 6.411 -8.894 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.569 4.359 -10.157 1.00 0.00 C ATOM 0 H THR A 18 -3.626 3.585 -9.438 1.00 0.00 H new ATOM 0 HA THR A 18 -2.975 6.368 -8.703 1.00 0.00 H new ATOM 0 HB THR A 18 -1.112 4.594 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.445 6.241 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.485 4.178 -9.944 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.089 3.406 -10.252 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.660 4.917 -11.089 1.00 0.00 H new ATOM 299 N GLU A 19 -2.749 6.899 -11.206 1.00 0.00 N ATOM 300 CA GLU A 19 -2.882 7.205 -12.608 1.00 0.00 C ATOM 301 C GLU A 19 -1.521 7.682 -13.029 1.00 0.00 C ATOM 302 O GLU A 19 -0.976 8.611 -12.432 1.00 0.00 O ATOM 303 CB GLU A 19 -3.903 8.327 -12.825 1.00 0.00 C ATOM 304 CG GLU A 19 -3.943 8.721 -14.302 1.00 0.00 C ATOM 305 CD GLU A 19 -5.054 9.733 -14.545 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.231 10.666 -13.729 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.807 9.507 -15.519 1.00 0.00 O ATOM 0 H GLU A 19 -2.493 7.698 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.225 6.341 -13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.891 7.999 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.639 9.192 -12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.984 9.145 -14.599 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.105 7.836 -14.918 1.00 0.00 H new ATOM 314 N ALA A 20 -0.942 7.031 -14.006 1.00 0.00 N ATOM 315 CA ALA A 20 0.397 7.381 -14.442 1.00 0.00 C ATOM 316 C ALA A 20 0.310 8.055 -15.787 1.00 0.00 C ATOM 317 O ALA A 20 -0.776 8.165 -16.356 1.00 0.00 O ATOM 318 CB ALA A 20 1.236 6.104 -14.507 1.00 0.00 C ATOM 0 H ALA A 20 -1.370 6.258 -14.516 1.00 0.00 H new ATOM 0 HA ALA A 20 0.871 8.072 -13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.247 6.349 -14.833 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.275 5.644 -13.520 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.785 5.408 -15.214 1.00 0.00 H new ATOM 324 N VAL A 21 1.435 8.490 -16.314 1.00 0.00 N ATOM 325 CA VAL A 21 1.392 9.128 -17.601 1.00 0.00 C ATOM 326 C VAL A 21 0.874 8.123 -18.602 1.00 0.00 C ATOM 327 O VAL A 21 0.172 8.488 -19.548 1.00 0.00 O ATOM 328 CB VAL A 21 2.761 9.678 -18.006 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.800 8.567 -17.970 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.670 10.252 -19.422 1.00 0.00 C ATOM 0 H VAL A 21 2.358 8.416 -15.885 1.00 0.00 H new ATOM 0 HA VAL A 21 0.724 9.989 -17.564 1.00 0.00 H new ATOM 0 HB VAL A 21 3.058 10.461 -17.308 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.771 8.968 -18.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.862 8.159 -16.961 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.512 7.777 -18.663 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.642 10.646 -19.718 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.371 9.465 -20.115 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.932 11.054 -19.443 1.00 0.00 H new ATOM 340 N ASP A 22 1.197 6.841 -18.406 1.00 0.00 N ATOM 341 CA ASP A 22 0.730 5.814 -19.296 1.00 0.00 C ATOM 342 C ASP A 22 1.025 4.437 -18.663 1.00 0.00 C ATOM 343 O ASP A 22 1.617 4.322 -17.589 1.00 0.00 O ATOM 344 CB ASP A 22 1.423 5.939 -20.658 1.00 0.00 C ATOM 345 CG ASP A 22 0.840 4.942 -21.662 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.232 4.352 -21.379 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.479 4.709 -22.711 1.00 0.00 O ATOM 0 H ASP A 22 1.778 6.507 -17.638 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.343 5.920 -19.452 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.306 6.954 -21.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.493 5.763 -20.544 1.00 0.00 H new ATOM 352 N ALA A 23 0.511 3.442 -19.325 1.00 0.00 N ATOM 353 CA ALA A 23 0.588 2.057 -18.868 1.00 0.00 C ATOM 354 C ALA A 23 1.985 1.676 -18.405 1.00 0.00 C ATOM 355 O ALA A 23 2.097 1.062 -17.360 1.00 0.00 O ATOM 356 CB ALA A 23 0.135 1.118 -19.992 1.00 0.00 C ATOM 0 H ALA A 23 0.017 3.555 -20.210 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.074 1.958 -18.008 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.193 0.085 -19.649 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.893 1.351 -20.269 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.782 1.249 -20.859 1.00 0.00 H new ATOM 362 N ALA A 24 3.021 2.037 -19.158 1.00 0.00 N ATOM 363 CA ALA A 24 4.398 1.705 -18.800 1.00 0.00 C ATOM 364 C ALA A 24 4.791 2.334 -17.473 1.00 0.00 C ATOM 365 O ALA A 24 5.429 1.704 -16.630 1.00 0.00 O ATOM 366 CB ALA A 24 5.343 2.208 -19.891 1.00 0.00 C ATOM 0 H ALA A 24 2.932 2.564 -20.027 1.00 0.00 H new ATOM 0 HA ALA A 24 4.471 0.622 -18.704 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.371 1.961 -19.625 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.090 1.733 -20.839 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.244 3.289 -19.988 1.00 0.00 H new ATOM 372 N THR A 25 4.391 3.578 -17.300 1.00 0.00 N ATOM 373 CA THR A 25 4.699 4.276 -16.065 1.00 0.00 C ATOM 374 C THR A 25 3.970 3.603 -14.899 1.00 0.00 C ATOM 375 O THR A 25 4.586 3.245 -13.899 1.00 0.00 O ATOM 376 CB THR A 25 4.343 5.759 -16.194 1.00 0.00 C ATOM 377 OG1 THR A 25 4.972 6.271 -17.360 1.00 0.00 O ATOM 378 CG2 THR A 25 4.832 6.537 -14.961 1.00 0.00 C ATOM 0 H THR A 25 3.862 4.119 -17.984 1.00 0.00 H new ATOM 0 HA THR A 25 5.769 4.220 -15.864 1.00 0.00 H new ATOM 0 HB THR A 25 3.261 5.871 -16.265 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.660 6.920 -17.103 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.571 7.590 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.358 6.135 -14.066 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.914 6.438 -14.874 1.00 0.00 H new ATOM 386 N ALA A 26 2.658 3.447 -15.012 1.00 0.00 N ATOM 387 CA ALA A 26 1.901 2.826 -13.930 1.00 0.00 C ATOM 388 C ALA A 26 2.521 1.483 -13.550 1.00 0.00 C ATOM 389 O ALA A 26 2.518 1.105 -12.384 1.00 0.00 O ATOM 390 CB ALA A 26 0.441 2.641 -14.339 1.00 0.00 C ATOM 0 H ALA A 26 2.105 3.733 -15.820 1.00 0.00 H new ATOM 0 HA ALA A 26 1.937 3.483 -13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.110 2.177 -13.521 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.001 3.612 -14.568 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.388 2.002 -15.221 1.00 0.00 H new ATOM 396 N GLU A 27 3.164 0.831 -14.513 1.00 0.00 N ATOM 397 CA GLU A 27 3.891 -0.409 -14.154 1.00 0.00 C ATOM 398 C GLU A 27 5.140 -0.018 -13.418 1.00 0.00 C ATOM 399 O GLU A 27 5.527 -0.669 -12.455 1.00 0.00 O ATOM 400 CB GLU A 27 4.307 -1.386 -15.319 1.00 0.00 C ATOM 401 CG GLU A 27 3.789 -0.947 -16.684 1.00 0.00 C ATOM 402 CD GLU A 27 2.445 -1.618 -16.999 1.00 0.00 C ATOM 403 OE1 GLU A 27 1.804 -2.119 -16.049 1.00 0.00 O ATOM 404 OE2 GLU A 27 2.085 -1.712 -18.195 1.00 0.00 O ATOM 0 H GLU A 27 3.206 1.107 -15.494 1.00 0.00 H new ATOM 0 HA GLU A 27 3.169 -0.979 -13.568 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.394 -1.456 -15.355 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.931 -2.385 -15.099 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.673 0.137 -16.702 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.517 -1.203 -17.454 1.00 0.00 H new ATOM 411 N LYS A 28 5.755 1.060 -13.862 1.00 0.00 N ATOM 412 CA LYS A 28 6.987 1.525 -13.230 1.00 0.00 C ATOM 413 C LYS A 28 6.782 1.924 -11.773 1.00 0.00 C ATOM 414 O LYS A 28 7.535 1.474 -10.909 1.00 0.00 O ATOM 415 CB LYS A 28 7.564 2.700 -14.024 1.00 0.00 C ATOM 416 CG LYS A 28 8.924 3.099 -13.441 1.00 0.00 C ATOM 417 CD LYS A 28 9.533 4.217 -14.291 1.00 0.00 C ATOM 418 CE LYS A 28 10.908 4.599 -13.734 1.00 0.00 C ATOM 419 NZ LYS A 28 10.764 5.106 -12.340 1.00 0.00 N ATOM 0 H LYS A 28 5.433 1.628 -14.646 1.00 0.00 H new ATOM 0 HA LYS A 28 7.691 0.693 -13.235 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.674 2.424 -15.073 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.879 3.547 -13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.806 3.434 -12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.591 2.237 -13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.628 3.889 -15.326 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.876 5.086 -14.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.570 3.733 -13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.366 5.362 -14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.523 5.788 -12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.841 5.573 -12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.828 4.311 -11.673 1.00 0.00 H new ATOM 433 N VAL A 29 5.814 2.787 -11.480 1.00 0.00 N ATOM 434 CA VAL A 29 5.637 3.214 -10.095 1.00 0.00 C ATOM 435 C VAL A 29 5.377 2.018 -9.191 1.00 0.00 C ATOM 436 O VAL A 29 6.117 1.770 -8.245 1.00 0.00 O ATOM 437 CB VAL A 29 4.455 4.175 -10.006 1.00 0.00 C ATOM 438 CG1 VAL A 29 4.227 4.583 -8.545 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.742 5.419 -10.851 1.00 0.00 C ATOM 0 H VAL A 29 5.163 3.192 -12.153 1.00 0.00 H new ATOM 0 HA VAL A 29 6.550 3.711 -9.767 1.00 0.00 H new ATOM 0 HB VAL A 29 3.559 3.681 -10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.382 5.269 -8.486 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.016 3.696 -7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.121 5.074 -8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.897 6.105 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.640 5.913 -10.479 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.894 5.126 -11.890 1.00 0.00 H new ATOM 449 N PHE A 30 4.289 1.319 -9.452 1.00 0.00 N ATOM 450 CA PHE A 30 3.922 0.200 -8.598 1.00 0.00 C ATOM 451 C PHE A 30 5.102 -0.775 -8.447 1.00 0.00 C ATOM 452 O PHE A 30 5.259 -1.402 -7.392 1.00 0.00 O ATOM 453 CB PHE A 30 2.717 -0.555 -9.173 1.00 0.00 C ATOM 454 CG PHE A 30 1.416 0.237 -9.076 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.957 0.783 -7.861 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.646 0.404 -10.246 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.259 1.488 -7.814 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.568 1.114 -10.197 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.012 1.661 -8.986 1.00 0.00 C ATOM 0 H PHE A 30 3.654 1.498 -10.230 1.00 0.00 H new ATOM 0 HA PHE A 30 3.657 0.604 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.912 -0.797 -10.218 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.601 -1.500 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.542 0.660 -6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.989 -0.014 -11.181 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.613 1.895 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.158 1.237 -11.093 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.937 2.218 -8.954 1.00 0.00 H new ATOM 469 N LYS A 31 5.939 -0.900 -9.489 1.00 0.00 N ATOM 470 CA LYS A 31 7.087 -1.810 -9.401 1.00 0.00 C ATOM 471 C LYS A 31 7.937 -1.382 -8.227 1.00 0.00 C ATOM 472 O LYS A 31 8.312 -2.178 -7.381 1.00 0.00 O ATOM 473 CB LYS A 31 7.933 -1.736 -10.692 1.00 0.00 C ATOM 474 CG LYS A 31 8.675 -3.065 -10.932 1.00 0.00 C ATOM 475 CD LYS A 31 7.780 -4.003 -11.750 1.00 0.00 C ATOM 476 CE LYS A 31 8.516 -5.321 -12.012 1.00 0.00 C ATOM 477 NZ LYS A 31 7.642 -6.237 -12.800 1.00 0.00 N ATOM 0 H LYS A 31 5.847 -0.400 -10.373 1.00 0.00 H new ATOM 0 HA LYS A 31 6.734 -2.833 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.289 -1.514 -11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.652 -0.921 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.610 -2.882 -11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.933 -3.528 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.851 -4.195 -11.213 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.511 -3.532 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.442 -5.130 -12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.791 -5.789 -11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.891 -7.224 -12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.647 -6.069 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.778 -6.058 -13.815 1.00 0.00 H new ATOM 491 N GLN A 32 8.215 -0.094 -8.227 1.00 0.00 N ATOM 492 CA GLN A 32 9.037 0.532 -7.196 1.00 0.00 C ATOM 493 C GLN A 32 8.638 -0.008 -5.804 1.00 0.00 C ATOM 494 O GLN A 32 9.498 -0.340 -4.989 1.00 0.00 O ATOM 495 CB GLN A 32 8.841 2.081 -7.274 1.00 0.00 C ATOM 496 CG GLN A 32 10.176 2.870 -7.132 1.00 0.00 C ATOM 497 CD GLN A 32 10.830 3.145 -8.496 1.00 0.00 C ATOM 498 OE1 GLN A 32 12.043 2.982 -8.489 1.00 0.00 O ATOM 499 NE2 GLN A 32 10.151 2.978 -9.611 1.00 0.00 N ATOM 0 H GLN A 32 7.880 0.554 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 32 10.089 0.296 -7.357 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.374 2.335 -8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.154 2.395 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.986 3.815 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.867 2.305 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.140 3.114 -9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.636 2.713 -10.468 1.00 0.00 H new ATOM 508 N TYR A 33 7.335 -0.027 -5.522 1.00 0.00 N ATOM 509 CA TYR A 33 6.844 -0.451 -4.203 1.00 0.00 C ATOM 510 C TYR A 33 6.907 -1.975 -3.977 1.00 0.00 C ATOM 511 O TYR A 33 7.475 -2.433 -2.988 1.00 0.00 O ATOM 512 CB TYR A 33 5.370 -0.005 -4.057 1.00 0.00 C ATOM 513 CG TYR A 33 5.245 1.515 -3.980 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.656 2.324 -5.060 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.703 2.130 -2.832 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.545 3.725 -4.991 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.583 3.535 -2.766 1.00 0.00 C ATOM 518 CZ TYR A 33 5.002 4.328 -3.848 1.00 0.00 C ATOM 519 OH TYR A 33 4.882 5.702 -3.786 1.00 0.00 O ATOM 0 H TYR A 33 6.604 0.243 -6.180 1.00 0.00 H new ATOM 0 HA TYR A 33 7.496 0.013 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.792 -0.375 -4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.942 -0.451 -3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.060 1.863 -5.949 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.378 1.523 -2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.878 4.335 -5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.169 4.001 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 33 4.486 5.957 -2.927 1.00 0.00 H new ATOM 529 N PHE A 34 6.266 -2.745 -4.860 1.00 0.00 N ATOM 530 CA PHE A 34 6.209 -4.212 -4.663 1.00 0.00 C ATOM 531 C PHE A 34 7.373 -4.964 -5.268 1.00 0.00 C ATOM 532 O PHE A 34 7.214 -6.057 -5.810 1.00 0.00 O ATOM 533 CB PHE A 34 4.867 -4.778 -5.109 1.00 0.00 C ATOM 534 CG PHE A 34 3.820 -3.964 -4.405 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.586 -4.215 -3.038 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.123 -2.924 -5.049 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.684 -3.413 -2.316 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.221 -2.124 -4.327 1.00 0.00 C ATOM 539 CZ PHE A 34 2.005 -2.365 -2.958 1.00 0.00 C ATOM 0 H PHE A 34 5.791 -2.401 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 34 6.304 -4.370 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.754 -4.707 -6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.782 -5.833 -4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.101 -5.025 -2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.282 -2.740 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.513 -3.603 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.693 -1.323 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.318 -1.745 -2.402 1.00 0.00 H new ATOM 549 N ASN A 35 8.549 -4.366 -5.166 1.00 0.00 N ATOM 550 CA ASN A 35 9.758 -4.948 -5.692 1.00 0.00 C ATOM 551 C ASN A 35 10.604 -5.593 -4.560 1.00 0.00 C ATOM 552 O ASN A 35 11.649 -6.171 -4.859 1.00 0.00 O ATOM 553 CB ASN A 35 10.469 -3.804 -6.464 1.00 0.00 C ATOM 554 CG ASN A 35 11.906 -3.617 -6.118 1.00 0.00 C ATOM 555 OD1 ASN A 35 12.076 -2.925 -5.122 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.895 -3.845 -6.953 1.00 0.00 N ATOM 0 H ASN A 35 8.685 -3.462 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 35 9.571 -5.777 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.390 -4.002 -7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.939 -2.871 -6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.816 -3.444 -6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.742 -4.423 -7.779 1.00 0.00 H new ATOM 563 N ASP A 36 10.148 -5.538 -3.261 1.00 0.00 N ATOM 564 CA ASP A 36 10.962 -6.184 -2.180 1.00 0.00 C ATOM 565 C ASP A 36 10.446 -6.118 -0.723 1.00 0.00 C ATOM 566 O ASP A 36 10.988 -6.801 0.074 1.00 0.00 O ATOM 567 CB ASP A 36 12.316 -5.529 -2.212 1.00 0.00 C ATOM 568 CG ASP A 36 13.126 -5.562 -0.889 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.664 -4.559 -0.295 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.358 -5.710 -1.079 1.00 0.00 O ATOM 0 H ASP A 36 9.285 -5.087 -2.956 1.00 0.00 H new ATOM 0 HA ASP A 36 10.934 -7.248 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.910 -6.009 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.186 -4.488 -2.508 1.00 0.00 H new ATOM 575 N ASN A 37 9.386 -5.441 -0.422 1.00 0.00 N ATOM 576 CA ASN A 37 8.779 -5.435 0.948 1.00 0.00 C ATOM 577 C ASN A 37 8.496 -6.906 1.415 1.00 0.00 C ATOM 578 O ASN A 37 7.469 -7.214 2.016 1.00 0.00 O ATOM 579 CB ASN A 37 7.471 -4.627 0.867 1.00 0.00 C ATOM 580 CG ASN A 37 7.023 -4.644 -0.562 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.701 -5.785 -0.864 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.465 -3.647 -1.209 1.00 0.00 N ATOM 0 H ASN A 37 8.885 -4.861 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 37 9.456 -4.984 1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.709 -5.063 1.513 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.630 -3.604 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.782 -3.834 -1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.715 -2.685 -0.978 1.00 0.00 H new ATOM 589 N GLY A 38 9.445 -7.784 1.121 1.00 0.00 N ATOM 590 CA GLY A 38 9.371 -9.198 1.456 1.00 0.00 C ATOM 591 C GLY A 38 8.298 -9.873 0.614 1.00 0.00 C ATOM 592 O GLY A 38 8.352 -11.077 0.360 1.00 0.00 O ATOM 0 H GLY A 38 10.304 -7.528 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.336 -9.673 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.144 -9.319 2.515 1.00 0.00 H new ATOM 596 N VAL A 39 7.318 -9.082 0.183 1.00 0.00 N ATOM 597 CA VAL A 39 6.237 -9.604 -0.621 1.00 0.00 C ATOM 598 C VAL A 39 6.772 -10.114 -1.944 1.00 0.00 C ATOM 599 O VAL A 39 6.427 -11.224 -2.349 1.00 0.00 O ATOM 600 CB VAL A 39 5.201 -8.505 -0.877 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.050 -9.036 -1.737 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.646 -8.010 0.460 1.00 0.00 C ATOM 0 H VAL A 39 7.258 -8.083 0.381 1.00 0.00 H new ATOM 0 HA VAL A 39 5.766 -10.427 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 39 5.686 -7.685 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.325 -8.240 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.440 -9.382 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.564 -9.865 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.908 -7.228 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.175 -8.839 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.459 -7.610 1.066 1.00 0.00 H new ATOM 612 N ASP A 40 7.606 -9.280 -2.611 1.00 0.00 N ATOM 613 CA ASP A 40 8.193 -9.620 -3.924 1.00 0.00 C ATOM 614 C ASP A 40 7.291 -10.619 -4.644 1.00 0.00 C ATOM 615 O ASP A 40 7.742 -11.587 -5.256 1.00 0.00 O ATOM 616 CB ASP A 40 9.611 -10.180 -3.758 1.00 0.00 C ATOM 617 CG ASP A 40 9.586 -11.590 -3.178 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.634 -11.940 -2.438 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.525 -12.375 -3.463 1.00 0.00 O ATOM 0 H ASP A 40 7.886 -8.365 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 40 8.266 -8.714 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.115 -10.191 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.188 -9.526 -3.105 1.00 0.00 H new ATOM 624 N GLY A 41 5.997 -10.377 -4.471 1.00 0.00 N ATOM 625 CA GLY A 41 4.951 -11.235 -4.990 1.00 0.00 C ATOM 626 C GLY A 41 4.926 -11.338 -6.503 1.00 0.00 C ATOM 627 O GLY A 41 5.579 -10.574 -7.210 1.00 0.00 O ATOM 0 H GLY A 41 5.645 -9.568 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.074 -12.234 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.986 -10.862 -4.646 1.00 0.00 H new ATOM 631 N GLU A 42 4.131 -12.296 -6.982 1.00 0.00 N ATOM 632 CA GLU A 42 3.974 -12.516 -8.406 1.00 0.00 C ATOM 633 C GLU A 42 3.274 -11.324 -9.030 1.00 0.00 C ATOM 634 O GLU A 42 2.173 -10.946 -8.630 1.00 0.00 O ATOM 635 CB GLU A 42 3.143 -13.795 -8.667 1.00 0.00 C ATOM 636 CG GLU A 42 4.040 -15.013 -8.906 1.00 0.00 C ATOM 637 CD GLU A 42 4.603 -15.534 -7.585 1.00 0.00 C ATOM 638 OE1 GLU A 42 4.398 -14.880 -6.539 1.00 0.00 O ATOM 639 OE2 GLU A 42 5.218 -16.623 -7.601 1.00 0.00 O ATOM 0 H GLU A 42 3.587 -12.930 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 42 4.961 -12.639 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.490 -13.985 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.500 -13.641 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.470 -15.800 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.857 -14.744 -9.575 1.00 0.00 H new ATOM 646 N TRP A 43 3.930 -10.743 -10.010 1.00 0.00 N ATOM 647 CA TRP A 43 3.385 -9.592 -10.705 1.00 0.00 C ATOM 648 C TRP A 43 2.412 -9.939 -11.792 1.00 0.00 C ATOM 649 O TRP A 43 2.575 -10.903 -12.536 1.00 0.00 O ATOM 650 CB TRP A 43 4.517 -8.709 -11.243 1.00 0.00 C ATOM 651 CG TRP A 43 4.681 -7.617 -10.313 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.980 -7.738 -9.001 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.553 -6.180 -10.556 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.014 -6.492 -8.407 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.744 -5.496 -9.316 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.280 -5.383 -11.692 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.644 -4.103 -9.203 1.00 0.00 C ATOM 658 CZ3 TRP A 43 4.199 -3.980 -11.591 1.00 0.00 C ATOM 659 CH2 TRP A 43 4.373 -3.345 -10.351 1.00 0.00 C ATOM 0 H TRP A 43 4.844 -11.048 -10.346 1.00 0.00 H new ATOM 0 HA TRP A 43 2.809 -9.036 -9.966 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.441 -9.280 -11.334 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.274 -8.335 -12.238 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.165 -8.672 -8.492 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.214 -6.331 -7.420 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.131 -5.857 -12.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.774 -3.620 -8.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.002 -3.389 -12.473 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.298 -2.270 -10.281 1.00 0.00 H new ATOM 670 N THR A 44 1.422 -9.063 -11.905 1.00 0.00 N ATOM 671 CA THR A 44 0.416 -9.161 -12.940 1.00 0.00 C ATOM 672 C THR A 44 -0.063 -7.766 -13.301 1.00 0.00 C ATOM 673 O THR A 44 -0.002 -6.849 -12.480 1.00 0.00 O ATOM 674 CB THR A 44 -0.737 -10.069 -12.495 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.615 -10.337 -11.105 1.00 0.00 O ATOM 676 CG2 THR A 44 -0.671 -11.374 -13.269 1.00 0.00 C ATOM 0 H THR A 44 1.299 -8.267 -11.279 1.00 0.00 H new ATOM 0 HA THR A 44 0.847 -9.618 -13.830 1.00 0.00 H new ATOM 0 HB THR A 44 -1.690 -9.576 -12.688 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.429 -9.502 -10.626 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.488 -12.024 -12.957 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.758 -11.169 -14.336 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.281 -11.867 -13.070 1.00 0.00 H new ATOM 684 N TYR A 45 -0.540 -7.601 -14.524 1.00 0.00 N ATOM 685 CA TYR A 45 -1.021 -6.295 -14.935 1.00 0.00 C ATOM 686 C TYR A 45 -2.012 -6.346 -16.074 1.00 0.00 C ATOM 687 O TYR A 45 -1.984 -7.245 -16.910 1.00 0.00 O ATOM 688 CB TYR A 45 0.184 -5.436 -15.240 1.00 0.00 C ATOM 689 CG TYR A 45 -0.168 -4.214 -16.069 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.670 -3.057 -15.439 1.00 0.00 C ATOM 691 CD2 TYR A 45 0.081 -4.192 -17.452 1.00 0.00 C ATOM 692 CE1 TYR A 45 -0.944 -1.905 -16.198 1.00 0.00 C ATOM 693 CE2 TYR A 45 -0.183 -3.035 -18.210 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.705 -1.896 -17.582 1.00 0.00 C ATOM 695 OH TYR A 45 -0.951 -0.754 -18.313 1.00 0.00 O ATOM 0 H TYR A 45 -0.604 -8.333 -15.231 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.594 -5.853 -14.120 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.644 -5.116 -14.305 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.925 -6.032 -15.773 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.844 -3.055 -14.373 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.479 -5.071 -17.938 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.340 -1.024 -15.715 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.016 -3.025 -19.271 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.474 -0.126 -17.772 1.00 0.00 H new ATOM 705 N ASP A 46 -2.847 -5.315 -16.129 1.00 0.00 N ATOM 706 CA ASP A 46 -3.819 -5.146 -17.193 1.00 0.00 C ATOM 707 C ASP A 46 -3.687 -3.719 -17.729 1.00 0.00 C ATOM 708 O ASP A 46 -3.731 -2.764 -16.951 1.00 0.00 O ATOM 709 CB ASP A 46 -5.240 -5.434 -16.650 1.00 0.00 C ATOM 710 CG ASP A 46 -6.069 -4.159 -16.549 1.00 0.00 C ATOM 711 OD1 ASP A 46 -6.076 -3.359 -17.516 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.708 -3.936 -15.491 1.00 0.00 O ATOM 0 H ASP A 46 -2.866 -4.571 -15.431 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.639 -5.846 -18.009 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.743 -6.145 -17.305 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.167 -5.901 -15.668 1.00 0.00 H new ATOM 717 N ASP A 47 -3.576 -3.555 -19.028 1.00 0.00 N ATOM 718 CA ASP A 47 -3.505 -2.211 -19.591 1.00 0.00 C ATOM 719 C ASP A 47 -4.910 -1.655 -19.829 1.00 0.00 C ATOM 720 O ASP A 47 -5.263 -0.567 -19.375 1.00 0.00 O ATOM 721 CB ASP A 47 -2.756 -2.324 -20.918 1.00 0.00 C ATOM 722 CG ASP A 47 -2.669 -1.001 -21.670 1.00 0.00 C ATOM 723 OD1 ASP A 47 -3.233 0.028 -21.231 1.00 0.00 O ATOM 724 OD2 ASP A 47 -2.035 -1.011 -22.752 1.00 0.00 O ATOM 0 H ASP A 47 -3.533 -4.313 -19.709 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.994 -1.534 -18.907 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.749 -2.695 -20.729 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.254 -3.061 -21.548 1.00 0.00 H new ATOM 729 N ALA A 48 -5.643 -2.389 -20.646 1.00 0.00 N ATOM 730 CA ALA A 48 -6.990 -2.008 -21.125 1.00 0.00 C ATOM 731 C ALA A 48 -8.105 -2.218 -20.120 1.00 0.00 C ATOM 732 O ALA A 48 -9.265 -1.928 -20.407 1.00 0.00 O ATOM 733 CB ALA A 48 -7.327 -2.826 -22.368 1.00 0.00 C ATOM 0 H ALA A 48 -5.326 -3.287 -21.011 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.937 -0.937 -21.323 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.319 -2.551 -22.727 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.591 -2.625 -23.146 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.313 -3.887 -22.120 1.00 0.00 H new ATOM 739 N THR A 49 -7.759 -2.689 -18.954 1.00 0.00 N ATOM 740 CA THR A 49 -8.737 -2.909 -17.895 1.00 0.00 C ATOM 741 C THR A 49 -8.210 -2.248 -16.639 1.00 0.00 C ATOM 742 O THR A 49 -8.688 -2.503 -15.534 1.00 0.00 O ATOM 743 CB THR A 49 -9.013 -4.419 -17.678 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.596 -4.816 -16.383 1.00 0.00 O ATOM 745 CG2 THR A 49 -8.274 -5.259 -18.729 1.00 0.00 C ATOM 0 H THR A 49 -6.802 -2.933 -18.700 1.00 0.00 H new ATOM 0 HA THR A 49 -9.695 -2.469 -18.172 1.00 0.00 H new ATOM 0 HB THR A 49 -10.086 -4.584 -17.778 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.054 -4.270 -15.710 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.480 -6.316 -18.560 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.615 -4.977 -19.725 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.202 -5.081 -18.649 1.00 0.00 H new ATOM 753 N LYS A 50 -7.212 -1.368 -16.828 1.00 0.00 N ATOM 754 CA LYS A 50 -6.597 -0.633 -15.742 1.00 0.00 C ATOM 755 C LYS A 50 -6.547 -1.450 -14.469 1.00 0.00 C ATOM 756 O LYS A 50 -7.391 -1.304 -13.584 1.00 0.00 O ATOM 757 CB LYS A 50 -7.310 0.727 -15.524 1.00 0.00 C ATOM 758 CG LYS A 50 -8.742 0.741 -16.095 1.00 0.00 C ATOM 759 CD LYS A 50 -8.731 0.809 -17.648 1.00 0.00 C ATOM 760 CE LYS A 50 -9.868 1.715 -18.136 1.00 0.00 C ATOM 761 NZ LYS A 50 -11.168 1.186 -17.638 1.00 0.00 N ATOM 0 H LYS A 50 -6.818 -1.156 -17.745 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.564 -0.426 -16.023 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.345 0.948 -14.457 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.727 1.519 -15.994 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.273 -0.154 -15.772 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.287 1.596 -15.695 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.772 1.193 -17.998 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.846 -0.191 -18.066 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.716 2.733 -17.778 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.873 1.757 -19.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.948 1.632 -18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.201 0.156 -17.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.265 1.400 -16.625 1.00 0.00 H new ATOM 775 N THR A 51 -5.494 -2.251 -14.348 1.00 0.00 N ATOM 776 CA THR A 51 -5.299 -3.017 -13.111 1.00 0.00 C ATOM 777 C THR A 51 -3.855 -3.499 -12.913 1.00 0.00 C ATOM 778 O THR A 51 -3.098 -3.693 -13.865 1.00 0.00 O ATOM 779 CB THR A 51 -6.295 -4.179 -13.002 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.587 -3.721 -13.380 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.362 -4.686 -11.553 1.00 0.00 C ATOM 0 H THR A 51 -4.780 -2.389 -15.063 1.00 0.00 H new ATOM 0 HA THR A 51 -5.500 -2.321 -12.297 1.00 0.00 H new ATOM 0 HB THR A 51 -5.968 -4.988 -13.656 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.645 -3.677 -14.357 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.072 -5.510 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.376 -5.031 -11.242 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.686 -3.876 -10.899 1.00 0.00 H new ATOM 789 N PHE A 52 -3.544 -3.766 -11.650 1.00 0.00 N ATOM 790 CA PHE A 52 -2.262 -4.329 -11.221 1.00 0.00 C ATOM 791 C PHE A 52 -2.586 -5.403 -10.206 1.00 0.00 C ATOM 792 O PHE A 52 -3.577 -5.280 -9.488 1.00 0.00 O ATOM 793 CB PHE A 52 -1.302 -3.293 -10.617 1.00 0.00 C ATOM 794 CG PHE A 52 -0.595 -2.555 -11.709 1.00 0.00 C ATOM 795 CD1 PHE A 52 0.576 -3.085 -12.282 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.104 -1.325 -12.167 1.00 0.00 C ATOM 797 CE1 PHE A 52 1.238 -2.389 -13.311 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.436 -0.624 -13.188 1.00 0.00 C ATOM 799 CZ PHE A 52 0.737 -1.153 -13.755 1.00 0.00 C ATOM 0 H PHE A 52 -4.187 -3.595 -10.877 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.737 -4.723 -12.092 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.856 -2.592 -9.992 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.576 -3.789 -9.973 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.968 -4.028 -11.931 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.007 -0.920 -11.735 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.129 -2.804 -13.758 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.825 0.321 -13.537 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.253 -0.609 -14.532 1.00 0.00 H new ATOM 809 N THR A 53 -1.763 -6.440 -10.108 1.00 0.00 N ATOM 810 CA THR A 53 -2.030 -7.481 -9.121 1.00 0.00 C ATOM 811 C THR A 53 -0.749 -8.016 -8.487 1.00 0.00 C ATOM 812 O THR A 53 0.050 -8.695 -9.131 1.00 0.00 O ATOM 813 CB THR A 53 -2.838 -8.606 -9.769 1.00 0.00 C ATOM 814 OG1 THR A 53 -4.134 -8.123 -10.096 1.00 0.00 O ATOM 815 CG2 THR A 53 -2.965 -9.778 -8.802 1.00 0.00 C ATOM 0 H THR A 53 -0.930 -6.582 -10.680 1.00 0.00 H new ATOM 0 HA THR A 53 -2.613 -7.041 -8.312 1.00 0.00 H new ATOM 0 HB THR A 53 -2.329 -8.941 -10.673 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.655 -8.841 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.542 -10.575 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.972 -10.149 -8.548 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.472 -9.448 -7.895 1.00 0.00 H new ATOM 823 N VAL A 54 -0.594 -7.725 -7.197 1.00 0.00 N ATOM 824 CA VAL A 54 0.558 -8.189 -6.429 1.00 0.00 C ATOM 825 C VAL A 54 0.179 -9.492 -5.731 1.00 0.00 C ATOM 826 O VAL A 54 -0.896 -9.588 -5.131 1.00 0.00 O ATOM 827 CB VAL A 54 0.960 -7.139 -5.390 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.115 -7.667 -4.537 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.394 -5.858 -6.103 1.00 0.00 C ATOM 0 H VAL A 54 -1.257 -7.166 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 54 1.405 -8.353 -7.096 1.00 0.00 H new ATOM 0 HB VAL A 54 0.107 -6.927 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.396 -6.915 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.803 -8.578 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.970 -7.885 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.680 -5.110 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.244 -6.072 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.567 -5.478 -6.703 1.00 0.00 H new ATOM 839 N THR A 55 1.087 -10.472 -5.754 1.00 0.00 N ATOM 840 CA THR A 55 0.813 -11.732 -5.048 1.00 0.00 C ATOM 841 C THR A 55 2.033 -12.331 -4.352 1.00 0.00 C ATOM 842 O THR A 55 2.893 -12.946 -4.974 1.00 0.00 O ATOM 843 CB THR A 55 0.171 -12.732 -6.015 1.00 0.00 C ATOM 844 OG1 THR A 55 -1.111 -12.247 -6.393 1.00 0.00 O ATOM 845 CG2 THR A 55 0.017 -14.094 -5.337 1.00 0.00 C ATOM 0 H THR A 55 1.986 -10.426 -6.234 1.00 0.00 H new ATOM 0 HA THR A 55 0.117 -11.501 -4.242 1.00 0.00 H new ATOM 0 HB THR A 55 0.805 -12.844 -6.894 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.530 -12.879 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.440 -14.797 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.998 -14.465 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.616 -13.992 -4.456 1.00 0.00 H new ATOM 853 N GLU A 56 2.067 -12.124 -3.039 1.00 0.00 N ATOM 854 CA GLU A 56 3.159 -12.612 -2.194 1.00 0.00 C ATOM 855 C GLU A 56 3.686 -13.950 -2.710 1.00 0.00 C ATOM 856 O GLU A 56 4.894 -14.111 -2.750 1.00 0.00 O ATOM 857 CB GLU A 56 2.683 -12.765 -0.746 1.00 0.00 C ATOM 858 CG GLU A 56 3.869 -13.076 0.171 1.00 0.00 C ATOM 859 CD GLU A 56 4.331 -14.518 -0.018 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.468 -15.395 -0.248 1.00 0.00 O ATOM 861 OE2 GLU A 56 5.556 -14.763 0.028 1.00 0.00 O ATOM 862 OXT GLU A 56 2.874 -14.790 -3.059 1.00 0.00 O ATOM 0 H GLU A 56 1.344 -11.616 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 56 3.968 -11.882 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.191 -11.849 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.944 -13.564 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.691 -12.394 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.584 -12.913 1.210 1.00 0.00 H new ATOM 870 N MET B 1 -4.751 -6.982 19.142 1.00 0.00 N ATOM 871 CA MET B 1 -5.863 -7.496 18.290 1.00 0.00 C ATOM 872 C MET B 1 -5.651 -7.037 16.856 1.00 0.00 C ATOM 873 O MET B 1 -4.538 -6.678 16.469 1.00 0.00 O ATOM 874 CB MET B 1 -7.206 -6.985 18.836 1.00 0.00 C ATOM 875 CG MET B 1 -7.447 -5.510 18.460 1.00 0.00 C ATOM 876 SD MET B 1 -5.900 -4.569 18.570 1.00 0.00 S ATOM 877 CE MET B 1 -5.966 -4.215 20.349 1.00 0.00 C ATOM 0 H1 MET B 1 -4.992 -7.116 20.145 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.877 -7.502 18.923 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.608 -5.969 18.953 1.00 0.00 H new ATOM 0 HA MET B 1 -5.875 -8.586 18.309 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.016 -7.598 18.442 1.00 0.00 H new ATOM 0 HB3 MET B 1 -7.223 -7.092 19.921 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.848 -5.447 17.448 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.193 -5.075 19.126 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.171 -3.517 20.611 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.932 -3.775 20.597 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.835 -5.141 20.909 1.00 0.00 H new ATOM 889 N GLN B 2 -6.728 -7.000 16.086 1.00 0.00 N ATOM 890 CA GLN B 2 -6.641 -6.533 14.724 1.00 0.00 C ATOM 891 C GLN B 2 -6.423 -5.046 14.780 1.00 0.00 C ATOM 892 O GLN B 2 -7.214 -4.340 15.381 1.00 0.00 O ATOM 893 CB GLN B 2 -7.944 -6.807 13.960 1.00 0.00 C ATOM 894 CG GLN B 2 -7.721 -6.553 12.464 1.00 0.00 C ATOM 895 CD GLN B 2 -6.975 -7.730 11.873 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.409 -8.861 12.056 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.836 -7.548 11.246 1.00 0.00 N ATOM 0 H GLN B 2 -7.661 -7.286 16.383 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.830 -7.049 14.211 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.263 -7.837 14.122 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.740 -6.164 14.335 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.677 -6.420 11.958 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.152 -5.635 12.318 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.481 -6.603 11.097 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.306 -8.351 10.908 1.00 0.00 H new ATOM 906 N TYR B 3 -5.397 -4.567 14.112 1.00 0.00 N ATOM 907 CA TYR B 3 -5.124 -3.142 14.055 1.00 0.00 C ATOM 908 C TYR B 3 -5.495 -2.695 12.673 1.00 0.00 C ATOM 909 O TYR B 3 -5.666 -3.548 11.805 1.00 0.00 O ATOM 910 CB TYR B 3 -3.659 -2.865 14.350 1.00 0.00 C ATOM 911 CG TYR B 3 -3.405 -3.240 15.786 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.665 -2.301 16.803 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.946 -4.527 16.128 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.483 -2.660 18.152 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.769 -4.884 17.477 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.046 -3.950 18.489 1.00 0.00 C ATOM 917 OH TYR B 3 -2.860 -4.297 19.810 1.00 0.00 O ATOM 0 H TYR B 3 -4.733 -5.145 13.597 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.699 -2.597 14.804 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.018 -3.443 13.684 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.427 -1.813 14.182 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.003 -1.307 16.548 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.729 -5.244 15.350 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.681 -1.939 18.931 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.421 -5.874 17.734 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.771 -5.270 19.883 1.00 0.00 H new ATOM 927 N LYS B 4 -5.615 -1.400 12.400 1.00 0.00 N ATOM 928 CA LYS B 4 -5.950 -0.957 11.063 1.00 0.00 C ATOM 929 C LYS B 4 -5.089 0.249 10.758 1.00 0.00 C ATOM 930 O LYS B 4 -4.632 0.927 11.678 1.00 0.00 O ATOM 931 CB LYS B 4 -7.428 -0.585 10.985 1.00 0.00 C ATOM 932 CG LYS B 4 -7.765 -0.158 9.555 1.00 0.00 C ATOM 933 CD LYS B 4 -9.280 0.030 9.407 1.00 0.00 C ATOM 934 CE LYS B 4 -9.731 1.324 10.085 1.00 0.00 C ATOM 935 NZ LYS B 4 -11.146 1.610 9.706 1.00 0.00 N ATOM 0 H LYS B 4 -5.486 -0.652 13.081 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.769 -1.751 10.338 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.045 -1.434 11.279 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.649 0.225 11.681 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.250 0.771 9.313 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.413 -0.911 8.849 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.547 0.054 8.351 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.802 -0.819 9.848 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.644 1.231 11.168 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.087 2.150 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.457 2.490 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.214 1.715 8.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.754 0.825 10.015 1.00 0.00 H new ATOM 949 N LEU B 5 -4.850 0.518 9.483 1.00 0.00 N ATOM 950 CA LEU B 5 -4.017 1.658 9.110 1.00 0.00 C ATOM 951 C LEU B 5 -4.669 2.497 8.045 1.00 0.00 C ATOM 952 O LEU B 5 -5.163 1.991 7.040 1.00 0.00 O ATOM 953 CB LEU B 5 -2.645 1.175 8.649 1.00 0.00 C ATOM 954 CG LEU B 5 -1.689 2.380 8.415 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.279 2.045 8.913 1.00 0.00 C ATOM 956 CD2 LEU B 5 -1.615 2.710 6.916 1.00 0.00 C ATOM 0 H LEU B 5 -5.212 -0.025 8.699 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.895 2.288 9.991 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.219 0.506 9.397 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.746 0.600 7.728 1.00 0.00 H new ATOM 0 HG LEU B 5 -2.078 3.237 8.965 1.00 0.00 H new ATOM 0 HD11 LEU B 5 0.379 2.897 8.743 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.313 1.820 9.979 1.00 0.00 H new ATOM 0 HD13 LEU B 5 0.102 1.179 8.372 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -0.944 3.555 6.762 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.240 1.844 6.371 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.609 2.966 6.550 1.00 0.00 H new ATOM 968 N ILE B 6 -4.662 3.795 8.306 1.00 0.00 N ATOM 969 CA ILE B 6 -5.251 4.775 7.419 1.00 0.00 C ATOM 970 C ILE B 6 -4.140 5.536 6.728 1.00 0.00 C ATOM 971 O ILE B 6 -3.215 6.031 7.375 1.00 0.00 O ATOM 972 CB ILE B 6 -6.110 5.714 8.250 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.097 4.857 9.054 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.858 6.676 7.326 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.907 5.736 10.005 1.00 0.00 C ATOM 0 H ILE B 6 -4.244 4.196 9.145 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.872 4.297 6.661 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.496 6.306 8.929 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.767 4.329 8.376 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.555 4.100 9.620 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.474 7.349 7.923 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.140 7.258 6.748 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.494 6.108 6.647 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.603 5.116 10.569 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.233 6.244 10.694 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.464 6.476 9.431 1.00 0.00 H new ATOM 987 N LEU B 7 -4.209 5.586 5.405 1.00 0.00 N ATOM 988 CA LEU B 7 -3.176 6.244 4.616 1.00 0.00 C ATOM 989 C LEU B 7 -3.628 7.618 4.129 1.00 0.00 C ATOM 990 O LEU B 7 -4.578 7.750 3.358 1.00 0.00 O ATOM 991 CB LEU B 7 -2.815 5.330 3.440 1.00 0.00 C ATOM 992 CG LEU B 7 -1.616 5.873 2.653 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.371 5.969 3.554 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.329 4.929 1.475 1.00 0.00 C ATOM 0 H LEU B 7 -4.967 5.180 4.856 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.297 6.413 5.238 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.586 4.331 3.811 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.674 5.234 2.776 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.851 6.872 2.287 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.468 6.356 2.976 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.577 6.639 4.389 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.122 4.979 3.937 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.478 5.304 0.907 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.101 3.933 1.854 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.204 4.879 0.827 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.871 8.631 4.545 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.115 10.005 4.101 1.00 0.00 C ATOM 1008 C ASN B 8 -1.857 10.559 3.469 1.00 0.00 C ATOM 1009 O ASN B 8 -0.778 10.521 4.059 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.582 10.919 5.234 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.472 10.171 6.199 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.668 10.026 5.973 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.930 9.779 7.328 1.00 0.00 N ATOM 0 H ASN B 8 -2.085 8.529 5.187 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.923 9.975 3.370 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.717 11.317 5.765 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.122 11.771 4.820 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.507 9.340 8.046 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.932 9.913 7.488 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.006 11.070 2.270 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.872 11.636 1.559 1.00 0.00 C ATOM 1022 C GLY B 9 -1.275 12.210 0.211 1.00 0.00 C ATOM 1023 O GLY B 9 -2.458 12.404 -0.060 1.00 0.00 O ATOM 0 H GLY B 9 -2.891 11.108 1.765 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.418 12.420 2.166 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.114 10.866 1.413 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.275 12.501 -0.622 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.520 13.083 -1.943 1.00 0.00 C ATOM 1029 C LYS B 10 -0.271 12.059 -3.046 1.00 0.00 C ATOM 1030 O LYS B 10 -1.106 11.864 -3.929 1.00 0.00 O ATOM 1031 CB LYS B 10 0.416 14.282 -2.153 1.00 0.00 C ATOM 1032 CG LYS B 10 0.527 15.113 -0.864 1.00 0.00 C ATOM 1033 CD LYS B 10 -0.832 15.714 -0.488 1.00 0.00 C ATOM 1034 CE LYS B 10 -0.671 16.567 0.772 1.00 0.00 C ATOM 1035 NZ LYS B 10 -1.984 17.163 1.150 1.00 0.00 N ATOM 0 H LYS B 10 0.710 12.344 -0.407 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.561 13.402 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.404 13.931 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.040 14.906 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.890 14.485 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.257 15.910 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.214 16.323 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.559 14.921 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.290 15.955 1.590 1.00 0.00 H new ATOM 0 HE3 LYS B 10 0.060 17.356 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.869 17.741 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.331 17.761 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -2.670 16.403 1.335 1.00 0.00 H new ATOM 1049 N THR B 11 0.896 11.428 -2.994 1.00 0.00 N ATOM 1050 CA THR B 11 1.275 10.438 -3.998 1.00 0.00 C ATOM 1051 C THR B 11 0.692 9.071 -3.663 1.00 0.00 C ATOM 1052 O THR B 11 0.809 8.129 -4.444 1.00 0.00 O ATOM 1053 CB THR B 11 2.807 10.319 -4.044 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.379 11.617 -4.105 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.261 9.506 -5.275 1.00 0.00 C ATOM 0 H THR B 11 1.596 11.583 -2.269 1.00 0.00 H new ATOM 0 HA THR B 11 0.886 10.764 -4.962 1.00 0.00 H new ATOM 0 HB THR B 11 3.140 9.803 -3.144 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.356 11.543 -4.133 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.349 9.437 -5.284 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.834 8.504 -5.227 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.921 10.002 -6.184 1.00 0.00 H new ATOM 1063 N LEU B 12 0.062 8.969 -2.499 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.527 7.697 -2.085 1.00 0.00 C ATOM 1065 C LEU B 12 -1.694 7.912 -1.117 1.00 0.00 C ATOM 1066 O LEU B 12 -1.645 8.792 -0.257 1.00 0.00 O ATOM 1067 CB LEU B 12 0.576 6.826 -1.450 1.00 0.00 C ATOM 1068 CG LEU B 12 0.349 5.326 -1.786 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.848 5.026 -3.216 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.090 4.402 -0.773 1.00 0.00 C ATOM 0 H LEU B 12 -0.054 9.734 -1.835 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.935 7.186 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.553 7.143 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.580 6.966 -0.369 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.720 5.124 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.686 3.973 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.299 5.641 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.912 5.252 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.912 3.359 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.160 4.608 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.717 4.592 0.233 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.699 7.040 -1.216 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.850 7.061 -0.310 1.00 0.00 C ATOM 1084 C LYS B 13 -4.412 5.650 -0.195 1.00 0.00 C ATOM 1085 O LYS B 13 -4.252 4.849 -1.115 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.938 8.021 -0.797 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.507 9.466 -0.535 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.618 10.409 -0.993 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.160 11.857 -0.837 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.800 12.124 0.583 1.00 0.00 N ATOM 0 H LYS B 13 -2.739 6.304 -1.921 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.517 7.416 0.665 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.117 7.872 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.877 7.813 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.304 9.611 0.526 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.583 9.686 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.873 10.208 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.520 10.237 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.301 12.047 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.953 12.535 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.355 12.929 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.007 11.282 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.786 12.347 0.648 1.00 0.00 H new ATOM 1104 N GLY B 14 -5.079 5.331 0.913 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.650 3.986 1.068 1.00 0.00 C ATOM 1106 C GLY B 14 -5.794 3.577 2.535 1.00 0.00 C ATOM 1107 O GLY B 14 -5.707 4.409 3.441 1.00 0.00 O ATOM 0 H GLY B 14 -5.237 5.962 1.699 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.628 3.952 0.587 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.016 3.264 0.553 1.00 0.00 H new ATOM 1111 N GLU B 15 -6.033 2.278 2.755 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.205 1.736 4.108 1.00 0.00 C ATOM 1113 C GLU B 15 -5.707 0.284 4.177 1.00 0.00 C ATOM 1114 O GLU B 15 -6.227 -0.583 3.476 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.693 1.743 4.499 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.235 3.170 4.623 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.742 3.104 4.853 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.163 2.865 6.007 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.495 3.207 3.858 1.00 0.00 O ATOM 0 H GLU B 15 -6.112 1.583 2.013 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.629 2.361 4.790 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.269 1.198 3.751 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.824 1.220 5.446 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.749 3.688 5.450 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -8.016 3.737 3.718 1.00 0.00 H new ATOM 1126 N THR B 16 -4.713 0.018 5.033 1.00 0.00 N ATOM 1127 CA THR B 16 -4.183 -1.354 5.185 1.00 0.00 C ATOM 1128 C THR B 16 -4.697 -1.904 6.503 1.00 0.00 C ATOM 1129 O THR B 16 -5.188 -1.137 7.335 1.00 0.00 O ATOM 1130 CB THR B 16 -2.642 -1.391 5.147 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.113 -1.081 6.423 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.107 -0.392 4.115 1.00 0.00 C ATOM 0 H THR B 16 -4.262 0.717 5.624 1.00 0.00 H new ATOM 0 HA THR B 16 -4.524 -1.965 4.349 1.00 0.00 H new ATOM 0 HB THR B 16 -2.331 -2.396 4.863 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.134 -1.109 6.387 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.018 -0.431 4.101 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.492 -0.648 3.128 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.430 0.614 4.381 1.00 0.00 H new ATOM 1140 N THR B 17 -4.582 -3.213 6.743 1.00 0.00 N ATOM 1141 CA THR B 17 -5.046 -3.776 8.002 1.00 0.00 C ATOM 1142 C THR B 17 -4.184 -4.976 8.368 1.00 0.00 C ATOM 1143 O THR B 17 -3.989 -5.878 7.555 1.00 0.00 O ATOM 1144 CB THR B 17 -6.527 -4.198 7.890 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.218 -3.277 7.058 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.187 -4.211 9.275 1.00 0.00 C ATOM 0 H THR B 17 -4.179 -3.887 6.092 1.00 0.00 H new ATOM 0 HA THR B 17 -4.963 -3.020 8.783 1.00 0.00 H new ATOM 0 HB THR B 17 -6.574 -5.200 7.463 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.158 -3.544 6.984 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.231 -4.511 9.178 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.665 -4.918 9.920 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.135 -3.214 9.712 1.00 0.00 H new ATOM 1154 N THR B 18 -3.671 -4.987 9.589 1.00 0.00 N ATOM 1155 CA THR B 18 -2.830 -6.095 10.045 1.00 0.00 C ATOM 1156 C THR B 18 -3.148 -6.407 11.489 1.00 0.00 C ATOM 1157 O THR B 18 -3.551 -5.516 12.242 1.00 0.00 O ATOM 1158 CB THR B 18 -1.329 -5.732 9.894 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.579 -6.928 9.743 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.795 -4.963 11.128 1.00 0.00 C ATOM 0 H THR B 18 -3.817 -4.251 10.280 1.00 0.00 H new ATOM 0 HA THR B 18 -3.034 -6.973 9.433 1.00 0.00 H new ATOM 0 HB THR B 18 -1.224 -5.089 9.020 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.371 -6.708 9.645 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.259 -4.728 10.982 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.359 -4.039 11.253 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.909 -5.581 12.019 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.903 -7.641 11.917 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.094 -8.024 13.295 1.00 0.00 C ATOM 1170 C GLU B 19 -1.734 -8.486 13.753 1.00 0.00 C ATOM 1171 O GLU B 19 -1.137 -9.361 13.131 1.00 0.00 O ATOM 1172 CB GLU B 19 -4.087 -9.189 13.405 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.217 -9.657 14.858 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.144 -10.863 14.909 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.614 -11.965 14.646 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.378 -10.713 15.050 1.00 0.00 O ATOM 0 H GLU B 19 -2.569 -8.394 11.316 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.492 -7.202 13.890 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.062 -8.878 13.030 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.754 -10.017 12.780 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.237 -9.918 15.259 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.611 -8.853 15.479 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.219 -7.873 14.785 1.00 0.00 N ATOM 1184 CA ALA B 20 0.109 -8.206 15.255 1.00 0.00 C ATOM 1185 C ALA B 20 -0.015 -8.947 16.565 1.00 0.00 C ATOM 1186 O ALA B 20 -1.119 -9.112 17.084 1.00 0.00 O ATOM 1187 CB ALA B 20 0.895 -6.904 15.426 1.00 0.00 C ATOM 0 H ALA B 20 -1.692 -7.143 15.318 1.00 0.00 H new ATOM 0 HA ALA B 20 0.635 -8.845 14.546 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.901 -7.130 15.780 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.955 -6.387 14.468 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.390 -6.267 16.151 1.00 0.00 H new ATOM 1193 N VAL B 21 1.098 -9.394 17.105 1.00 0.00 N ATOM 1194 CA VAL B 21 1.025 -10.110 18.354 1.00 0.00 C ATOM 1195 C VAL B 21 0.423 -9.193 19.395 1.00 0.00 C ATOM 1196 O VAL B 21 -0.293 -9.643 20.287 1.00 0.00 O ATOM 1197 CB VAL B 21 2.401 -10.626 18.784 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.394 -9.471 18.861 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.284 -11.293 20.151 1.00 0.00 C ATOM 0 H VAL B 21 2.033 -9.279 16.714 1.00 0.00 H new ATOM 0 HA VAL B 21 0.392 -10.990 18.236 1.00 0.00 H new ATOM 0 HB VAL B 21 2.758 -11.349 18.051 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.369 -9.849 19.168 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.479 -8.999 17.882 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.044 -8.738 19.588 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.262 -11.662 20.461 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.922 -10.568 20.880 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.584 -12.127 20.090 1.00 0.00 H new ATOM 1209 N ASP B 22 0.686 -7.895 19.270 1.00 0.00 N ATOM 1210 CA ASP B 22 0.144 -6.930 20.194 1.00 0.00 C ATOM 1211 C ASP B 22 0.392 -5.514 19.651 1.00 0.00 C ATOM 1212 O ASP B 22 1.001 -5.318 18.600 1.00 0.00 O ATOM 1213 CB ASP B 22 0.785 -7.118 21.573 1.00 0.00 C ATOM 1214 CG ASP B 22 0.156 -6.198 22.620 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.913 -5.596 22.360 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.806 -6.000 23.675 1.00 0.00 O ATOM 0 H ASP B 22 1.271 -7.497 18.535 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.931 -7.076 20.300 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.674 -8.156 21.887 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.854 -6.917 21.508 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.160 -4.570 20.361 1.00 0.00 N ATOM 1222 CA ALA B 23 -0.109 -3.163 19.980 1.00 0.00 C ATOM 1223 C ALA B 23 1.292 -2.718 19.590 1.00 0.00 C ATOM 1224 O ALA B 23 1.427 -2.070 18.569 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.637 -2.306 21.139 1.00 0.00 C ATOM 0 H ALA B 23 -0.665 -4.744 21.230 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.738 -3.031 19.099 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.601 -1.253 20.859 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.667 -2.588 21.360 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -0.019 -2.468 22.022 1.00 0.00 H new ATOM 1231 N ALA B 24 2.303 -3.049 20.388 1.00 0.00 N ATOM 1232 CA ALA B 24 3.683 -2.649 20.115 1.00 0.00 C ATOM 1233 C ALA B 24 4.167 -3.188 18.774 1.00 0.00 C ATOM 1234 O ALA B 24 4.825 -2.492 18.001 1.00 0.00 O ATOM 1235 CB ALA B 24 4.592 -3.185 21.223 1.00 0.00 C ATOM 0 H ALA B 24 2.191 -3.600 21.239 1.00 0.00 H new ATOM 0 HA ALA B 24 3.719 -1.560 20.081 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.622 -2.889 21.024 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.276 -2.776 22.183 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.526 -4.273 21.253 1.00 0.00 H new ATOM 1241 N THR B 25 3.804 -4.424 18.517 1.00 0.00 N ATOM 1242 CA THR B 25 4.184 -5.052 17.265 1.00 0.00 C ATOM 1243 C THR B 25 3.482 -4.356 16.097 1.00 0.00 C ATOM 1244 O THR B 25 4.129 -3.943 15.134 1.00 0.00 O ATOM 1245 CB THR B 25 3.892 -6.552 17.293 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.499 -7.108 18.449 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.468 -7.229 16.035 1.00 0.00 C ATOM 0 H THR B 25 3.254 -5.010 19.145 1.00 0.00 H new ATOM 0 HA THR B 25 5.259 -4.941 17.126 1.00 0.00 H new ATOM 0 HB THR B 25 2.814 -6.715 17.315 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.224 -7.710 18.180 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.254 -8.297 16.066 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.012 -6.793 15.146 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.547 -7.076 16.001 1.00 0.00 H new ATOM 1255 N ALA B 26 2.167 -4.221 16.174 1.00 0.00 N ATOM 1256 CA ALA B 26 1.436 -3.570 15.094 1.00 0.00 C ATOM 1257 C ALA B 26 2.033 -2.198 14.812 1.00 0.00 C ATOM 1258 O ALA B 26 2.076 -1.765 13.665 1.00 0.00 O ATOM 1259 CB ALA B 26 -0.045 -3.452 15.447 1.00 0.00 C ATOM 0 H ALA B 26 1.593 -4.544 16.953 1.00 0.00 H new ATOM 0 HA ALA B 26 1.523 -4.178 14.194 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.576 -2.964 14.630 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.461 -4.447 15.607 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.156 -2.861 16.356 1.00 0.00 H new ATOM 1265 N GLU B 27 2.587 -1.557 15.838 1.00 0.00 N ATOM 1266 CA GLU B 27 3.274 -0.273 15.579 1.00 0.00 C ATOM 1267 C GLU B 27 4.563 -0.580 14.866 1.00 0.00 C ATOM 1268 O GLU B 27 4.958 0.134 13.953 1.00 0.00 O ATOM 1269 CB GLU B 27 3.602 0.645 16.820 1.00 0.00 C ATOM 1270 CG GLU B 27 3.049 0.103 18.137 1.00 0.00 C ATOM 1271 CD GLU B 27 1.668 0.702 18.441 1.00 0.00 C ATOM 1272 OE1 GLU B 27 1.016 1.186 17.491 1.00 0.00 O ATOM 1273 OE2 GLU B 27 1.284 0.750 19.631 1.00 0.00 O ATOM 0 H GLU B 27 2.583 -1.873 16.808 1.00 0.00 H new ATOM 0 HA GLU B 27 2.560 0.311 14.998 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.683 0.755 16.906 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.193 1.640 16.645 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.975 -0.983 18.085 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.738 0.337 18.949 1.00 0.00 H new ATOM 1280 N LYS B 28 5.213 -1.642 15.298 1.00 0.00 N ATOM 1281 CA LYS B 28 6.494 -2.024 14.704 1.00 0.00 C ATOM 1282 C LYS B 28 6.387 -2.355 13.217 1.00 0.00 C ATOM 1283 O LYS B 28 7.177 -1.851 12.420 1.00 0.00 O ATOM 1284 CB LYS B 28 7.082 -3.220 15.455 1.00 0.00 C ATOM 1285 CG LYS B 28 8.482 -3.531 14.912 1.00 0.00 C ATOM 1286 CD LYS B 28 9.100 -4.673 15.721 1.00 0.00 C ATOM 1287 CE LYS B 28 10.511 -4.962 15.203 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.449 -5.387 13.775 1.00 0.00 N ATOM 0 H LYS B 28 4.888 -2.253 16.047 1.00 0.00 H new ATOM 0 HA LYS B 28 7.152 -1.160 14.794 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.135 -3.002 16.522 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.435 -4.089 15.339 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.422 -3.807 13.859 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.113 -2.644 14.974 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.137 -4.406 16.777 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.481 -5.567 15.639 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.133 -4.072 15.300 1.00 0.00 H new ATOM 0 HE3 LYS B 28 10.976 -5.743 15.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.907 -6.315 13.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.455 -5.455 13.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.941 -4.688 13.183 1.00 0.00 H new ATOM 1302 N VAL B 29 5.448 -3.209 12.829 1.00 0.00 N ATOM 1303 CA VAL B 29 5.348 -3.571 11.417 1.00 0.00 C ATOM 1304 C VAL B 29 5.073 -2.349 10.555 1.00 0.00 C ATOM 1305 O VAL B 29 5.837 -2.033 9.648 1.00 0.00 O ATOM 1306 CB VAL B 29 4.214 -4.571 11.219 1.00 0.00 C ATOM 1307 CG1 VAL B 29 4.066 -4.899 9.726 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.518 -5.850 11.999 1.00 0.00 C ATOM 0 H VAL B 29 4.766 -3.652 13.445 1.00 0.00 H new ATOM 0 HA VAL B 29 6.299 -4.011 11.117 1.00 0.00 H new ATOM 0 HB VAL B 29 3.283 -4.137 11.584 1.00 0.00 H new ATOM 0 HG11 VAL B 29 3.255 -5.614 9.589 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.843 -3.986 9.173 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.996 -5.330 9.354 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.707 -6.564 11.857 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.451 -6.283 11.638 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.613 -5.616 13.059 1.00 0.00 H new ATOM 1318 N PHE B 30 3.960 -1.693 10.818 1.00 0.00 N ATOM 1319 CA PHE B 30 3.582 -0.542 10.016 1.00 0.00 C ATOM 1320 C PHE B 30 4.729 0.482 9.964 1.00 0.00 C ATOM 1321 O PHE B 30 4.911 1.157 8.943 1.00 0.00 O ATOM 1322 CB PHE B 30 2.323 0.125 10.581 1.00 0.00 C ATOM 1323 CG PHE B 30 1.059 -0.707 10.380 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.673 -1.203 9.120 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.247 -0.967 11.505 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.511 -1.950 8.983 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.942 -1.709 11.367 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.311 -2.212 10.109 1.00 0.00 C ATOM 0 H PHE B 30 3.310 -1.930 11.567 1.00 0.00 H new ATOM 0 HA PHE B 30 3.372 -0.893 9.006 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.464 0.308 11.646 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.190 1.097 10.105 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.289 -1.009 8.254 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.539 -0.595 12.476 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -0.805 -2.322 8.013 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.569 -1.891 12.227 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.210 -2.801 10.006 1.00 0.00 H new ATOM 1338 N LYS B 31 5.497 0.618 11.056 1.00 0.00 N ATOM 1339 CA LYS B 31 6.598 1.588 11.067 1.00 0.00 C ATOM 1340 C LYS B 31 7.507 1.277 9.902 1.00 0.00 C ATOM 1341 O LYS B 31 7.897 2.138 9.117 1.00 0.00 O ATOM 1342 CB LYS B 31 7.399 1.446 12.386 1.00 0.00 C ATOM 1343 CG LYS B 31 8.076 2.776 12.759 1.00 0.00 C ATOM 1344 CD LYS B 31 7.107 3.619 13.596 1.00 0.00 C ATOM 1345 CE LYS B 31 7.776 4.943 13.973 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.830 5.771 14.775 1.00 0.00 N ATOM 0 H LYS B 31 5.381 0.085 11.918 1.00 0.00 H new ATOM 0 HA LYS B 31 6.208 2.603 10.991 1.00 0.00 H new ATOM 0 HB2 LYS B 31 6.732 1.134 13.190 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.153 0.667 12.277 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.991 2.587 13.321 1.00 0.00 H new ATOM 0 HG3 LYS B 31 8.362 3.317 11.857 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.193 3.809 13.033 1.00 0.00 H new ATOM 0 HD3 LYS B 31 6.820 3.075 14.496 1.00 0.00 H new ATOM 0 HE2 LYS B 31 8.684 4.753 14.545 1.00 0.00 H new ATOM 0 HE3 LYS B 31 8.073 5.481 13.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 7.036 6.779 14.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.854 5.568 14.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 6.940 5.544 15.784 1.00 0.00 H new ATOM 1360 N GLN B 32 7.848 0.024 9.867 1.00 0.00 N ATOM 1361 CA GLN B 32 8.752 -0.483 8.862 1.00 0.00 C ATOM 1362 C GLN B 32 8.395 0.072 7.468 1.00 0.00 C ATOM 1363 O GLN B 32 9.280 0.458 6.704 1.00 0.00 O ATOM 1364 CB GLN B 32 8.712 -2.020 8.862 1.00 0.00 C ATOM 1365 CG GLN B 32 10.150 -2.617 8.764 1.00 0.00 C ATOM 1366 CD GLN B 32 10.628 -3.267 10.076 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.425 -4.162 9.820 1.00 0.00 O ATOM 1368 NE2 GLN B 32 9.803 -3.370 11.096 1.00 0.00 N ATOM 0 H GLN B 32 7.513 -0.678 10.527 1.00 0.00 H new ATOM 0 HA GLN B 32 9.763 -0.153 9.100 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.228 -2.375 9.772 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.111 -2.372 8.024 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.174 -3.361 7.968 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.846 -1.827 8.483 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.145 -2.617 11.298 1.00 0.00 H new ATOM 0 HE22 GLN B 32 9.822 -4.202 11.685 1.00 0.00 H new ATOM 1377 N TYR B 33 7.106 0.065 7.133 1.00 0.00 N ATOM 1378 CA TYR B 33 6.662 0.521 5.816 1.00 0.00 C ATOM 1379 C TYR B 33 6.658 2.054 5.677 1.00 0.00 C ATOM 1380 O TYR B 33 7.259 2.583 4.746 1.00 0.00 O ATOM 1381 CB TYR B 33 5.227 0.013 5.548 1.00 0.00 C ATOM 1382 CG TYR B 33 5.182 -1.501 5.380 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.594 -2.340 6.439 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.658 -2.087 4.209 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.516 -3.739 6.314 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.581 -3.489 4.086 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.015 -4.316 5.135 1.00 0.00 C ATOM 1388 OH TYR B 33 4.929 -5.690 5.014 1.00 0.00 O ATOM 0 H TYR B 33 6.356 -0.248 7.749 1.00 0.00 H new ATOM 0 HA TYR B 33 7.373 0.118 5.095 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.578 0.306 6.373 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.835 0.490 4.650 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.972 -1.904 7.352 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.314 -1.458 3.402 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.842 -4.371 7.127 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.187 -3.929 3.182 1.00 0.00 H new ATOM 0 HH TYR B 33 4.560 -5.919 4.135 1.00 0.00 H new ATOM 1398 N PHE B 34 5.951 2.764 6.574 1.00 0.00 N ATOM 1399 CA PHE B 34 5.854 4.243 6.449 1.00 0.00 C ATOM 1400 C PHE B 34 6.982 5.005 7.140 1.00 0.00 C ATOM 1401 O PHE B 34 6.774 6.079 7.707 1.00 0.00 O ATOM 1402 CB PHE B 34 4.461 4.745 6.865 1.00 0.00 C ATOM 1403 CG PHE B 34 3.472 3.921 6.077 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.281 4.182 4.704 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.842 2.811 6.669 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.474 3.332 3.928 1.00 0.00 C ATOM 1407 CE2 PHE B 34 2.038 1.959 5.890 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.854 2.220 4.521 1.00 0.00 C ATOM 0 H PHE B 34 5.452 2.363 7.368 1.00 0.00 H new ATOM 0 HA PHE B 34 5.987 4.464 5.390 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.306 4.622 7.937 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.347 5.807 6.646 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.756 5.038 4.248 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.976 2.613 7.722 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.331 3.534 2.877 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.561 1.103 6.344 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.236 1.565 3.925 1.00 0.00 H new ATOM 1418 N ASN B 35 8.177 4.421 7.086 1.00 0.00 N ATOM 1419 CA ASN B 35 9.370 4.984 7.683 1.00 0.00 C ATOM 1420 C ASN B 35 10.184 5.787 6.675 1.00 0.00 C ATOM 1421 O ASN B 35 11.121 6.500 7.037 1.00 0.00 O ATOM 1422 CB ASN B 35 10.147 3.771 8.190 1.00 0.00 C ATOM 1423 CG ASN B 35 11.654 3.974 8.345 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.345 4.689 7.626 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.069 3.593 9.533 1.00 0.00 N ATOM 0 H ASN B 35 8.338 3.530 6.617 1.00 0.00 H new ATOM 0 HA ASN B 35 9.135 5.689 8.480 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.736 3.476 9.156 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.978 2.941 7.504 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.983 3.892 9.874 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.477 2.998 10.113 1.00 0.00 H new ATOM 1432 N ASP B 36 9.821 5.661 5.416 1.00 0.00 N ATOM 1433 CA ASP B 36 10.514 6.348 4.348 1.00 0.00 C ATOM 1434 C ASP B 36 9.493 6.459 3.192 1.00 0.00 C ATOM 1435 O ASP B 36 8.708 7.357 3.253 1.00 0.00 O ATOM 1436 CB ASP B 36 11.838 5.571 4.117 1.00 0.00 C ATOM 1437 CG ASP B 36 12.750 6.328 3.186 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.529 6.265 1.956 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.302 7.313 3.730 1.00 0.00 O ATOM 0 H ASP B 36 9.041 5.082 5.105 1.00 0.00 H new ATOM 0 HA ASP B 36 10.839 7.373 4.527 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.340 5.408 5.071 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.620 4.588 3.699 1.00 0.00 H new ATOM 1444 N ASN B 37 9.533 5.763 2.078 1.00 0.00 N ATOM 1445 CA ASN B 37 8.563 5.996 0.955 1.00 0.00 C ATOM 1446 C ASN B 37 8.332 7.462 0.664 1.00 0.00 C ATOM 1447 O ASN B 37 7.334 7.823 0.048 1.00 0.00 O ATOM 1448 CB ASN B 37 7.183 5.288 1.147 1.00 0.00 C ATOM 1449 CG ASN B 37 7.274 4.382 2.320 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.229 3.623 2.204 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.291 4.106 3.151 1.00 0.00 N ATOM 0 H ASN B 37 10.214 5.026 1.896 1.00 0.00 H new ATOM 0 HA ASN B 37 9.056 5.539 0.097 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.397 6.027 1.300 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.920 4.723 0.253 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.319 3.252 3.708 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.502 4.746 3.238 1.00 0.00 H new ATOM 1458 N GLY B 38 9.242 8.300 1.091 1.00 0.00 N ATOM 1459 CA GLY B 38 9.094 9.725 0.849 1.00 0.00 C ATOM 1460 C GLY B 38 7.939 10.276 1.675 1.00 0.00 C ATOM 1461 O GLY B 38 7.918 11.459 2.014 1.00 0.00 O ATOM 0 H GLY B 38 10.084 8.033 1.601 1.00 0.00 H new ATOM 0 HA2 GLY B 38 10.017 10.244 1.108 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.913 9.906 -0.211 1.00 0.00 H new ATOM 1465 N VAL B 39 6.974 9.412 1.993 1.00 0.00 N ATOM 1466 CA VAL B 39 5.828 9.830 2.771 1.00 0.00 C ATOM 1467 C VAL B 39 6.276 10.277 4.148 1.00 0.00 C ATOM 1468 O VAL B 39 5.864 11.343 4.604 1.00 0.00 O ATOM 1469 CB VAL B 39 4.830 8.672 2.907 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.624 9.099 3.753 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.343 8.260 1.518 1.00 0.00 C ATOM 0 H VAL B 39 6.971 8.429 1.722 1.00 0.00 H new ATOM 0 HA VAL B 39 5.342 10.661 2.261 1.00 0.00 H new ATOM 0 HB VAL B 39 5.329 7.835 3.396 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.927 8.266 3.839 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.962 9.393 4.747 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.125 9.942 3.275 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.634 7.437 1.610 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.855 9.108 1.037 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.193 7.940 0.915 1.00 0.00 H new ATOM 1481 N ASP B 40 7.116 9.438 4.802 1.00 0.00 N ATOM 1482 CA ASP B 40 7.624 9.713 6.161 1.00 0.00 C ATOM 1483 C ASP B 40 6.644 10.626 6.899 1.00 0.00 C ATOM 1484 O ASP B 40 7.023 11.570 7.590 1.00 0.00 O ATOM 1485 CB ASP B 40 9.017 10.348 6.102 1.00 0.00 C ATOM 1486 CG ASP B 40 8.964 11.784 5.587 1.00 0.00 C ATOM 1487 OD1 ASP B 40 8.030 12.140 4.828 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.907 12.558 5.888 1.00 0.00 O ATOM 0 H ASP B 40 7.455 8.562 4.404 1.00 0.00 H new ATOM 0 HA ASP B 40 7.710 8.772 6.704 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.465 10.334 7.096 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.661 9.753 5.454 1.00 0.00 H new ATOM 1493 N GLY B 41 5.368 10.347 6.652 1.00 0.00 N ATOM 1494 CA GLY B 41 4.264 11.133 7.176 1.00 0.00 C ATOM 1495 C GLY B 41 4.170 11.144 8.691 1.00 0.00 C ATOM 1496 O GLY B 41 4.838 10.377 9.381 1.00 0.00 O ATOM 0 H GLY B 41 5.072 9.559 6.076 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.364 12.159 6.822 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.331 10.744 6.768 1.00 0.00 H new ATOM 1500 N GLU B 42 3.305 12.029 9.187 1.00 0.00 N ATOM 1501 CA GLU B 42 3.076 12.162 10.615 1.00 0.00 C ATOM 1502 C GLU B 42 2.390 10.916 11.153 1.00 0.00 C ATOM 1503 O GLU B 42 1.304 10.535 10.717 1.00 0.00 O ATOM 1504 CB GLU B 42 2.192 13.398 10.912 1.00 0.00 C ATOM 1505 CG GLU B 42 3.038 14.632 11.255 1.00 0.00 C ATOM 1506 CD GLU B 42 3.622 15.230 9.979 1.00 0.00 C ATOM 1507 OE1 GLU B 42 3.470 14.591 8.913 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.167 16.354 10.032 1.00 0.00 O ATOM 0 H GLU B 42 2.752 12.665 8.613 1.00 0.00 H new ATOM 0 HA GLU B 42 4.042 12.288 11.104 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.567 13.615 10.046 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.521 13.175 11.742 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.425 15.373 11.767 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.841 14.355 11.938 1.00 0.00 H new ATOM 1515 N TRP B 43 3.063 10.288 12.090 1.00 0.00 N ATOM 1516 CA TRP B 43 2.553 9.074 12.698 1.00 0.00 C ATOM 1517 C TRP B 43 1.499 9.324 13.738 1.00 0.00 C ATOM 1518 O TRP B 43 1.572 10.259 14.533 1.00 0.00 O ATOM 1519 CB TRP B 43 3.698 8.211 13.246 1.00 0.00 C ATOM 1520 CG TRP B 43 3.950 7.188 12.256 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.267 7.410 10.961 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.862 5.733 12.396 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.359 6.210 10.287 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.104 5.142 11.117 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.594 4.850 13.467 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.066 3.756 10.908 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.557 3.456 13.268 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.783 2.911 11.992 1.00 0.00 C ATOM 0 H TRP B 43 3.966 10.596 12.450 1.00 0.00 H new ATOM 0 HA TRP B 43 2.055 8.518 11.904 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.590 8.813 13.417 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.425 7.766 14.203 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.425 8.383 10.519 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.588 6.125 9.297 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.415 5.251 14.454 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.252 3.345 9.927 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 3.353 2.801 14.102 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.739 1.842 11.846 1.00 0.00 H new ATOM 1539 N THR B 44 0.556 8.389 13.765 1.00 0.00 N ATOM 1540 CA THR B 44 -0.502 8.384 14.752 1.00 0.00 C ATOM 1541 C THR B 44 -0.915 6.942 15.013 1.00 0.00 C ATOM 1542 O THR B 44 -0.750 6.074 14.154 1.00 0.00 O ATOM 1543 CB THR B 44 -1.680 9.263 14.309 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.513 9.624 12.946 1.00 0.00 O ATOM 1545 CG2 THR B 44 -1.709 10.522 15.164 1.00 0.00 C ATOM 0 H THR B 44 0.509 7.616 13.101 1.00 0.00 H new ATOM 0 HA THR B 44 -0.143 8.817 15.685 1.00 0.00 H new ATOM 0 HB THR B 44 -2.614 8.714 14.427 1.00 0.00 H new ATOM 0 HG1 THR B 44 -1.313 8.823 12.418 1.00 0.00 H new ATOM 0 HG21 THR B 44 -2.543 11.152 14.856 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.830 10.247 16.212 1.00 0.00 H new ATOM 0 HG23 THR B 44 -0.775 11.069 15.038 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.467 6.693 16.185 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.903 5.344 16.502 1.00 0.00 C ATOM 1555 C TYR B 45 -2.965 5.287 17.573 1.00 0.00 C ATOM 1556 O TYR B 45 -3.039 6.147 18.449 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.671 4.517 16.808 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.998 3.230 17.540 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.464 2.104 16.833 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -0.799 3.138 18.930 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.733 0.901 17.517 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -1.063 1.936 19.611 1.00 0.00 C ATOM 1563 CZ TYR B 45 -1.529 0.818 18.903 1.00 0.00 C ATOM 1564 OH TYR B 45 -1.769 -0.371 19.560 1.00 0.00 O ATOM 0 H TYR B 45 -1.622 7.386 16.917 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.413 4.915 15.639 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.157 4.280 15.877 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.018 5.108 17.411 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.615 2.163 15.765 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -0.441 3.997 19.478 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.097 0.042 16.973 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -0.907 1.874 20.678 1.00 0.00 H new ATOM 0 HH TYR B 45 -2.129 -1.027 18.928 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.737 4.205 17.537 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.755 3.934 18.533 1.00 0.00 C ATOM 1576 C ASP B 46 -4.588 2.481 19.000 1.00 0.00 C ATOM 1577 O ASP B 46 -4.554 1.566 18.174 1.00 0.00 O ATOM 1578 CB ASP B 46 -6.158 4.201 17.937 1.00 0.00 C ATOM 1579 CG ASP B 46 -6.930 2.902 17.742 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -6.944 2.075 18.690 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.536 2.692 16.663 1.00 0.00 O ATOM 0 H ASP B 46 -3.670 3.492 16.811 1.00 0.00 H new ATOM 0 HA ASP B 46 -4.648 4.593 19.395 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.717 4.863 18.598 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -6.058 4.715 16.981 1.00 0.00 H new ATOM 1586 N ASP B 47 -4.531 2.262 20.294 1.00 0.00 N ATOM 1587 CA ASP B 47 -4.424 0.895 20.806 1.00 0.00 C ATOM 1588 C ASP B 47 -5.803 0.247 20.966 1.00 0.00 C ATOM 1589 O ASP B 47 -6.075 -0.840 20.455 1.00 0.00 O ATOM 1590 CB ASP B 47 -3.724 0.955 22.159 1.00 0.00 C ATOM 1591 CG ASP B 47 -3.639 -0.410 22.832 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.220 -1.403 22.336 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -3.032 -0.471 23.926 1.00 0.00 O ATOM 0 H ASP B 47 -4.556 2.990 21.008 1.00 0.00 H new ATOM 0 HA ASP B 47 -3.858 0.289 20.099 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -2.719 1.355 22.027 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -4.259 1.646 22.811 1.00 0.00 H new ATOM 1598 N ALA B 48 -6.617 0.916 21.762 1.00 0.00 N ATOM 1599 CA ALA B 48 -7.966 0.452 22.152 1.00 0.00 C ATOM 1600 C ALA B 48 -9.040 0.673 21.103 1.00 0.00 C ATOM 1601 O ALA B 48 -10.199 0.317 21.313 1.00 0.00 O ATOM 1602 CB ALA B 48 -8.392 1.177 23.422 1.00 0.00 C ATOM 0 H ALA B 48 -6.368 1.816 22.172 1.00 0.00 H new ATOM 0 HA ALA B 48 -7.879 -0.626 22.292 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.386 0.841 23.717 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -7.683 0.959 24.221 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.412 2.251 23.238 1.00 0.00 H new ATOM 1608 N THR B 49 -8.660 1.231 19.984 1.00 0.00 N ATOM 1609 CA THR B 49 -9.598 1.475 18.893 1.00 0.00 C ATOM 1610 C THR B 49 -8.995 0.906 17.625 1.00 0.00 C ATOM 1611 O THR B 49 -9.443 1.198 16.517 1.00 0.00 O ATOM 1612 CB THR B 49 -9.927 2.984 18.752 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.471 3.474 17.503 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.274 3.787 19.884 1.00 0.00 C ATOM 0 H THR B 49 -7.704 1.531 19.793 1.00 0.00 H new ATOM 0 HA THR B 49 -10.548 0.982 19.100 1.00 0.00 H new ATOM 0 HB THR B 49 -11.009 3.101 18.811 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.842 2.925 16.781 1.00 0.00 H new ATOM 0 HG21 THR B 49 -9.516 4.843 19.768 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.648 3.433 20.844 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.193 3.657 19.846 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.962 0.071 17.811 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.267 -0.576 16.715 1.00 0.00 C ATOM 1624 C LYS B 50 -7.199 0.322 15.494 1.00 0.00 C ATOM 1625 O LYS B 50 -8.000 0.202 14.568 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.909 -1.947 16.379 1.00 0.00 C ATOM 1627 CG LYS B 50 -9.365 -2.057 16.878 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.423 -2.219 18.423 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.541 -3.198 18.801 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.839 -2.690 18.277 1.00 0.00 N ATOM 0 H LYS B 50 -7.593 -0.168 18.731 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.242 -0.762 17.036 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.886 -2.101 15.300 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -7.314 -2.743 16.827 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.921 -1.167 16.583 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -9.851 -2.909 16.403 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -8.466 -2.584 18.796 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.600 -1.252 18.893 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -10.331 -4.185 18.389 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -10.592 -3.309 19.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -12.622 -3.175 18.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -11.906 -1.667 18.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -11.896 -2.873 17.255 1.00 0.00 H new ATOM 1644 N THR B 51 -6.176 1.168 15.469 1.00 0.00 N ATOM 1645 CA THR B 51 -5.963 2.019 14.293 1.00 0.00 C ATOM 1646 C THR B 51 -4.532 2.558 14.186 1.00 0.00 C ATOM 1647 O THR B 51 -3.824 2.710 15.180 1.00 0.00 O ATOM 1648 CB THR B 51 -7.002 3.146 14.210 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.288 2.612 14.496 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.027 3.743 12.793 1.00 0.00 C ATOM 0 H THR B 51 -5.497 1.286 16.221 1.00 0.00 H new ATOM 0 HA THR B 51 -6.106 1.373 13.427 1.00 0.00 H new ATOM 0 HB THR B 51 -6.739 3.923 14.928 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.403 2.538 15.466 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.768 4.541 12.747 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.044 4.146 12.551 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.287 2.965 12.075 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.185 2.929 12.959 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.910 3.565 12.625 1.00 0.00 C ATOM 1660 C PHE B 52 -3.230 4.700 11.672 1.00 0.00 C ATOM 1661 O PHE B 52 -4.184 4.595 10.903 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.889 2.602 12.001 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.198 1.829 13.078 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.063 2.371 13.715 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -1.689 0.571 13.473 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.590 1.647 14.729 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -1.032 -0.153 14.481 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.113 0.380 15.099 1.00 0.00 C ATOM 0 H PHE B 52 -4.792 2.795 12.150 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.436 3.920 13.540 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.391 1.919 11.316 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.159 3.161 11.416 1.00 0.00 H new ATOM 0 HD1 PHE B 52 0.306 3.344 13.424 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.571 0.163 13.001 1.00 0.00 H new ATOM 0 HE1 PHE B 52 1.456 2.065 15.221 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.407 -1.120 14.782 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.627 -0.187 15.861 1.00 0.00 H new ATOM 1678 N THR B 53 -2.436 5.769 11.679 1.00 0.00 N ATOM 1679 CA THR B 53 -2.700 6.863 10.744 1.00 0.00 C ATOM 1680 C THR B 53 -1.429 7.515 10.196 1.00 0.00 C ATOM 1681 O THR B 53 -0.703 8.214 10.903 1.00 0.00 O ATOM 1682 CB THR B 53 -3.599 7.903 11.415 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.885 7.342 11.642 1.00 0.00 O ATOM 1684 CG2 THR B 53 -3.736 9.126 10.516 1.00 0.00 C ATOM 0 H THR B 53 -1.634 5.901 12.296 1.00 0.00 H new ATOM 0 HA THR B 53 -3.208 6.433 9.881 1.00 0.00 H new ATOM 0 HB THR B 53 -3.154 8.200 12.365 1.00 0.00 H new ATOM 0 HG1 THR B 53 -5.461 8.007 12.073 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.377 9.863 10.999 1.00 0.00 H new ATOM 0 HG22 THR B 53 -2.752 9.561 10.341 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.177 8.830 9.564 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.200 7.272 8.911 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.046 7.828 8.204 1.00 0.00 C ATOM 1694 C VAL B 54 -0.442 9.159 7.572 1.00 0.00 C ATOM 1695 O VAL B 54 -1.489 9.251 6.926 1.00 0.00 O ATOM 1696 CB VAL B 54 0.444 6.861 7.125 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.615 7.487 6.363 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.900 5.560 7.783 1.00 0.00 C ATOM 0 H VAL B 54 -1.803 6.689 8.331 1.00 0.00 H new ATOM 0 HA VAL B 54 0.766 7.984 8.914 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.368 6.654 6.428 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.961 6.795 5.595 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.289 8.416 5.894 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.430 7.697 7.056 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.250 4.868 7.017 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.711 5.770 8.480 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.065 5.113 8.322 1.00 0.00 H new ATOM 1708 N THR B 55 0.424 10.173 7.704 1.00 0.00 N ATOM 1709 CA THR B 55 0.125 11.467 7.067 1.00 0.00 C ATOM 1710 C THR B 55 1.338 12.185 6.464 1.00 0.00 C ATOM 1711 O THR B 55 2.132 12.817 7.155 1.00 0.00 O ATOM 1712 CB THR B 55 -0.602 12.370 8.065 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.873 11.803 8.357 1.00 0.00 O ATOM 1714 CG2 THR B 55 -0.796 13.764 7.464 1.00 0.00 C ATOM 0 H THR B 55 1.301 10.131 8.222 1.00 0.00 H new ATOM 0 HA THR B 55 -0.515 11.245 6.213 1.00 0.00 H new ATOM 0 HB THR B 55 -0.010 12.455 8.976 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.347 12.374 8.997 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.314 14.400 8.181 1.00 0.00 H new ATOM 0 HG22 THR B 55 0.176 14.198 7.230 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.388 13.688 6.552 1.00 0.00 H new ATOM 1722 N GLU B 56 1.443 12.026 5.149 1.00 0.00 N ATOM 1723 CA GLU B 56 2.542 12.607 4.370 1.00 0.00 C ATOM 1724 C GLU B 56 2.997 13.930 4.988 1.00 0.00 C ATOM 1725 O GLU B 56 4.196 14.130 5.093 1.00 0.00 O ATOM 1726 CB GLU B 56 2.112 12.838 2.923 1.00 0.00 C ATOM 1727 CG GLU B 56 3.318 13.247 2.077 1.00 0.00 C ATOM 1728 CD GLU B 56 3.741 14.682 2.375 1.00 0.00 C ATOM 1729 OE1 GLU B 56 2.868 15.536 2.641 1.00 0.00 O ATOM 1730 OE2 GLU B 56 4.964 14.946 2.346 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.141 14.717 5.354 1.00 0.00 O ATOM 0 H GLU B 56 0.775 11.494 4.591 1.00 0.00 H new ATOM 0 HA GLU B 56 3.374 11.903 4.384 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.665 11.930 2.519 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.348 13.615 2.882 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.150 12.571 2.275 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.073 13.150 1.019 1.00 0.00 H new