USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HD1:sc= 0.938 K(o=2.2,f=-5.8!) USER MOD Set 1.2: A 86 THR OG1 : rot -76:sc= 1.26 USER MOD Set 2.1: A 57 SER OG : rot -142:sc= 0.369 USER MOD Set 2.2: A 61 SER OG : rot -160:sc= 0.342 USER MOD Set 3.1: A 52 SER OG : rot -164:sc= 0.477 USER MOD Set 3.2: A 55 SER OG : rot 85:sc= 0.331 USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 19 LYS NZ :NH3+ 161:sc= 0.872 (180deg=0.652) USER MOD Set 5.2: A 21 ASN : amide:sc= -0.016 K(o=0.86,f=-0.65) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -169:sc= 0 (180deg=-0.17) USER MOD Single : A 2 GLN : amide:sc=-0.000501 X(o=-0.0005,f=-0.49) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.1 X(o=0.1,f=-0.083) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.948 X(o=-0.95,f=-0.54) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0.552 K(o=0.55,f=-1.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= 0.39 (180deg=-0.0547) USER MOD Single : A 42 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.033) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.0067) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.0646 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -130:sc=-0.00324 USER MOD Single : A 73 THR OG1 : rot 180:sc=0.000607 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.351 (180deg=0.329) USER MOD Single : A 78 TYR OH : rot -150:sc= 0.356 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.898 -1.355 -1.893 1.00 53.43 N ATOM 2 CA MET A 0 -0.156 -1.363 -0.619 1.00 34.53 C ATOM 3 C MET A 0 1.101 -2.231 -0.715 1.00 4.11 C ATOM 4 O MET A 0 2.196 -1.763 -0.409 1.00 1.23 O ATOM 5 CB MET A 0 -1.043 -1.802 0.556 1.00 74.32 C ATOM 6 CG MET A 0 -2.234 -0.858 0.760 1.00 53.13 C ATOM 7 SD MET A 0 -3.214 -1.207 2.246 1.00 0.14 S ATOM 8 CE MET A 0 -4.518 0.040 2.053 1.00 24.34 C ATOM 0 H1 MET A 0 -1.634 -0.621 -1.862 1.00 53.43 H new ATOM 0 H2 MET A 0 -0.243 -1.155 -2.675 1.00 53.43 H new ATOM 0 H3 MET A 0 -1.342 -2.284 -2.042 1.00 53.43 H new ATOM 0 HA MET A 0 0.158 -0.338 -0.423 1.00 34.53 H new ATOM 0 HB2 MET A 0 -1.408 -2.813 0.377 1.00 74.32 H new ATOM 0 HB3 MET A 0 -0.447 -1.836 1.468 1.00 74.32 H new ATOM 0 HG2 MET A 0 -1.866 0.167 0.814 1.00 53.13 H new ATOM 0 HG3 MET A 0 -2.884 -0.918 -0.113 1.00 53.13 H new ATOM 0 HE1 MET A 0 -5.216 -0.032 2.887 1.00 24.34 H new ATOM 0 HE2 MET A 0 -4.071 1.034 2.038 1.00 24.34 H new ATOM 0 HE3 MET A 0 -5.051 -0.133 1.118 1.00 24.34 H new ATOM 20 N ILE A 1 0.938 -3.489 -1.149 1.00 20.20 N ATOM 21 CA ILE A 1 2.022 -4.447 -1.321 1.00 33.24 C ATOM 22 C ILE A 1 1.613 -5.498 -2.358 1.00 40.51 C ATOM 23 O ILE A 1 0.727 -6.313 -2.104 1.00 24.10 O ATOM 24 CB ILE A 1 2.436 -5.056 0.038 1.00 0.01 C ATOM 25 CG1 ILE A 1 3.603 -6.041 -0.157 1.00 53.01 C ATOM 26 CG2 ILE A 1 1.277 -5.729 0.793 1.00 3.30 C ATOM 27 CD1 ILE A 1 4.235 -6.471 1.170 1.00 54.03 C ATOM 0 H ILE A 1 0.024 -3.870 -1.394 1.00 20.20 H new ATOM 0 HA ILE A 1 2.909 -3.943 -1.704 1.00 33.24 H new ATOM 0 HB ILE A 1 2.757 -4.224 0.665 1.00 0.01 H new ATOM 0 HG12 ILE A 1 3.245 -6.923 -0.688 1.00 53.01 H new ATOM 0 HG13 ILE A 1 4.364 -5.578 -0.785 1.00 53.01 H new ATOM 0 HG21 ILE A 1 1.643 -6.133 1.737 1.00 3.30 H new ATOM 0 HG22 ILE A 1 0.497 -4.994 0.991 1.00 3.30 H new ATOM 0 HG23 ILE A 1 0.868 -6.537 0.187 1.00 3.30 H new ATOM 0 HD11 ILE A 1 5.053 -7.165 0.976 1.00 54.03 H new ATOM 0 HD12 ILE A 1 4.620 -5.594 1.691 1.00 54.03 H new ATOM 0 HD13 ILE A 1 3.483 -6.960 1.789 1.00 54.03 H new ATOM 39 N GLN A 2 2.262 -5.471 -3.531 1.00 13.15 N ATOM 40 CA GLN A 2 2.048 -6.433 -4.603 1.00 22.11 C ATOM 41 C GLN A 2 3.015 -7.601 -4.393 1.00 40.33 C ATOM 42 O GLN A 2 4.123 -7.602 -4.927 1.00 3.42 O ATOM 43 CB GLN A 2 2.247 -5.739 -5.962 1.00 13.23 C ATOM 44 CG GLN A 2 1.679 -6.562 -7.127 1.00 22.12 C ATOM 45 CD GLN A 2 0.171 -6.369 -7.285 1.00 62.44 C ATOM 46 OE1 GLN A 2 -0.619 -7.024 -6.611 1.00 52.44 O ATOM 47 NE2 GLN A 2 -0.230 -5.464 -8.182 1.00 2.11 N ATOM 0 H GLN A 2 2.961 -4.764 -3.758 1.00 13.15 H new ATOM 0 HA GLN A 2 1.030 -6.824 -4.592 1.00 22.11 H new ATOM 0 HB2 GLN A 2 1.765 -4.762 -5.942 1.00 13.23 H new ATOM 0 HB3 GLN A 2 3.311 -5.567 -6.127 1.00 13.23 H new ATOM 0 HG2 GLN A 2 2.180 -6.275 -8.052 1.00 22.12 H new ATOM 0 HG3 GLN A 2 1.894 -7.618 -6.963 1.00 22.12 H new ATOM 0 HE21 GLN A 2 0.459 -4.941 -8.722 1.00 2.11 H new ATOM 0 HE22 GLN A 2 -1.226 -5.296 -8.327 1.00 2.11 H new ATOM 56 N ARG A 3 2.600 -8.586 -3.588 1.00 15.12 N ATOM 57 CA ARG A 3 3.417 -9.742 -3.233 1.00 15.21 C ATOM 58 C ARG A 3 3.764 -10.571 -4.477 1.00 14.55 C ATOM 59 O ARG A 3 3.006 -10.583 -5.447 1.00 40.05 O ATOM 60 CB ARG A 3 2.675 -10.596 -2.193 1.00 0.21 C ATOM 61 CG ARG A 3 2.466 -9.851 -0.868 1.00 60.15 C ATOM 62 CD ARG A 3 1.643 -10.666 0.138 1.00 20.12 C ATOM 63 NE ARG A 3 2.366 -11.849 0.624 1.00 0.42 N ATOM 64 CZ ARG A 3 1.917 -12.681 1.581 1.00 1.23 C ATOM 65 NH1 ARG A 3 0.709 -12.510 2.139 1.00 13.11 N ATOM 66 NH2 ARG A 3 2.690 -13.696 1.988 1.00 13.24 N ATOM 0 H ARG A 3 1.674 -8.598 -3.161 1.00 15.12 H new ATOM 0 HA ARG A 3 4.355 -9.393 -2.800 1.00 15.21 H new ATOM 0 HB2 ARG A 3 1.707 -10.895 -2.596 1.00 0.21 H new ATOM 0 HB3 ARG A 3 3.239 -11.510 -2.008 1.00 0.21 H new ATOM 0 HG2 ARG A 3 3.436 -9.613 -0.431 1.00 60.15 H new ATOM 0 HG3 ARG A 3 1.963 -8.904 -1.062 1.00 60.15 H new ATOM 0 HD2 ARG A 3 1.378 -10.032 0.984 1.00 20.12 H new ATOM 0 HD3 ARG A 3 0.710 -10.980 -0.330 1.00 20.12 H new ATOM 0 HE ARG A 3 3.273 -12.054 0.206 1.00 0.42 H new ATOM 0 HH11 ARG A 3 0.113 -11.738 1.839 1.00 13.11 H new ATOM 0 HH12 ARG A 3 0.386 -13.152 2.863 1.00 13.11 H new ATOM 0 HH21 ARG A 3 3.612 -13.834 1.573 1.00 13.24 H new ATOM 0 HH22 ARG A 3 2.357 -14.332 2.713 1.00 13.24 H new ATOM 80 N THR A 4 4.917 -11.255 -4.434 1.00 22.11 N ATOM 81 CA THR A 4 5.452 -12.083 -5.513 1.00 4.43 C ATOM 82 C THR A 4 5.198 -13.576 -5.232 1.00 0.35 C ATOM 83 O THR A 4 5.027 -13.953 -4.072 1.00 35.22 O ATOM 84 CB THR A 4 6.957 -11.803 -5.655 1.00 25.43 C ATOM 85 OG1 THR A 4 7.619 -12.043 -4.431 1.00 72.31 O ATOM 86 CG2 THR A 4 7.224 -10.361 -6.102 1.00 21.45 C ATOM 0 H THR A 4 5.522 -11.243 -3.613 1.00 22.11 H new ATOM 0 HA THR A 4 4.947 -11.834 -6.446 1.00 4.43 H new ATOM 0 HB THR A 4 7.342 -12.477 -6.420 1.00 25.43 H new ATOM 0 HG1 THR A 4 8.576 -11.863 -4.536 1.00 72.31 H new ATOM 0 HG21 THR A 4 8.298 -10.201 -6.191 1.00 21.45 H new ATOM 0 HG22 THR A 4 6.749 -10.186 -7.067 1.00 21.45 H new ATOM 0 HG23 THR A 4 6.814 -9.670 -5.365 1.00 21.45 H new ATOM 94 N PRO A 5 5.171 -14.438 -6.268 1.00 52.21 N ATOM 95 CA PRO A 5 4.888 -15.863 -6.124 1.00 43.14 C ATOM 96 C PRO A 5 6.097 -16.643 -5.606 1.00 31.11 C ATOM 97 O PRO A 5 7.231 -16.373 -5.999 1.00 60.14 O ATOM 98 CB PRO A 5 4.480 -16.344 -7.519 1.00 35.10 C ATOM 99 CG PRO A 5 5.218 -15.386 -8.452 1.00 2.45 C ATOM 100 CD PRO A 5 5.202 -14.070 -7.676 1.00 51.11 C ATOM 0 HA PRO A 5 4.101 -16.029 -5.388 1.00 43.14 H new ATOM 0 HB2 PRO A 5 4.776 -17.379 -7.690 1.00 35.10 H new ATOM 0 HB3 PRO A 5 3.401 -16.293 -7.662 1.00 35.10 H new ATOM 0 HG2 PRO A 5 6.235 -15.723 -8.654 1.00 2.45 H new ATOM 0 HG3 PRO A 5 4.715 -15.293 -9.415 1.00 2.45 H new ATOM 0 HD2 PRO A 5 6.084 -13.471 -7.904 1.00 51.11 H new ATOM 0 HD3 PRO A 5 4.332 -13.470 -7.942 1.00 51.11 H new ATOM 108 N LYS A 6 5.832 -17.628 -4.737 1.00 55.14 N ATOM 109 CA LYS A 6 6.828 -18.540 -4.197 1.00 53.43 C ATOM 110 C LYS A 6 6.955 -19.742 -5.133 1.00 55.44 C ATOM 111 O LYS A 6 6.166 -20.680 -5.044 1.00 13.13 O ATOM 112 CB LYS A 6 6.413 -18.971 -2.783 1.00 53.15 C ATOM 113 CG LYS A 6 7.484 -19.848 -2.117 1.00 0.42 C ATOM 114 CD LYS A 6 6.999 -20.479 -0.805 1.00 40.23 C ATOM 115 CE LYS A 6 6.671 -19.451 0.283 1.00 35.13 C ATOM 116 NZ LYS A 6 6.309 -20.121 1.544 1.00 43.01 N ATOM 0 H LYS A 6 4.892 -17.810 -4.386 1.00 55.14 H new ATOM 0 HA LYS A 6 7.799 -18.050 -4.127 1.00 53.43 H new ATOM 0 HB2 LYS A 6 6.235 -18.087 -2.171 1.00 53.15 H new ATOM 0 HB3 LYS A 6 5.472 -19.520 -2.832 1.00 53.15 H new ATOM 0 HG2 LYS A 6 7.782 -20.637 -2.807 1.00 0.42 H new ATOM 0 HG3 LYS A 6 8.371 -19.245 -1.920 1.00 0.42 H new ATOM 0 HD2 LYS A 6 6.112 -21.079 -1.006 1.00 40.23 H new ATOM 0 HD3 LYS A 6 7.766 -21.158 -0.433 1.00 40.23 H new ATOM 0 HE2 LYS A 6 7.530 -18.800 0.445 1.00 35.13 H new ATOM 0 HE3 LYS A 6 5.848 -18.816 -0.046 1.00 35.13 H new ATOM 0 HZ1 LYS A 6 6.091 -19.406 2.267 1.00 43.01 H new ATOM 0 HZ2 LYS A 6 5.475 -20.723 1.390 1.00 43.01 H new ATOM 0 HZ3 LYS A 6 7.105 -20.707 1.866 1.00 43.01 H new ATOM 130 N ILE A 7 7.971 -19.728 -6.005 1.00 53.11 N ATOM 131 CA ILE A 7 8.319 -20.869 -6.842 1.00 60.42 C ATOM 132 C ILE A 7 8.603 -22.073 -5.940 1.00 20.22 C ATOM 133 O ILE A 7 9.408 -21.970 -5.014 1.00 40.34 O ATOM 134 CB ILE A 7 9.539 -20.532 -7.718 1.00 4.02 C ATOM 135 CG1 ILE A 7 9.168 -19.452 -8.750 1.00 65.12 C ATOM 136 CG2 ILE A 7 10.041 -21.803 -8.421 1.00 12.12 C ATOM 137 CD1 ILE A 7 10.403 -18.795 -9.375 1.00 3.12 C ATOM 0 H ILE A 7 8.574 -18.918 -6.146 1.00 53.11 H new ATOM 0 HA ILE A 7 7.491 -21.110 -7.508 1.00 60.42 H new ATOM 0 HB ILE A 7 10.338 -20.143 -7.087 1.00 4.02 H new ATOM 0 HG12 ILE A 7 8.560 -19.898 -9.537 1.00 65.12 H new ATOM 0 HG13 ILE A 7 8.557 -18.688 -8.269 1.00 65.12 H new ATOM 0 HG21 ILE A 7 10.905 -21.560 -9.040 1.00 12.12 H new ATOM 0 HG22 ILE A 7 10.327 -22.543 -7.674 1.00 12.12 H new ATOM 0 HG23 ILE A 7 9.248 -22.209 -9.049 1.00 12.12 H new ATOM 0 HD11 ILE A 7 10.088 -18.041 -10.096 1.00 3.12 H new ATOM 0 HD12 ILE A 7 10.999 -18.324 -8.594 1.00 3.12 H new ATOM 0 HD13 ILE A 7 11.002 -19.553 -9.881 1.00 3.12 H new ATOM 149 N GLN A 8 7.931 -23.198 -6.208 1.00 31.54 N ATOM 150 CA GLN A 8 8.059 -24.420 -5.431 1.00 52.21 C ATOM 151 C GLN A 8 7.520 -25.580 -6.275 1.00 43.02 C ATOM 152 O GLN A 8 6.389 -26.011 -6.069 1.00 34.11 O ATOM 153 CB GLN A 8 7.309 -24.246 -4.098 1.00 62.31 C ATOM 154 CG GLN A 8 7.537 -25.429 -3.154 1.00 52.53 C ATOM 155 CD GLN A 8 6.785 -25.265 -1.835 1.00 13.13 C ATOM 156 OE1 GLN A 8 6.847 -24.212 -1.203 1.00 52.33 O ATOM 157 NE2 GLN A 8 6.071 -26.313 -1.419 1.00 1.32 N ATOM 0 H GLN A 8 7.275 -23.279 -6.984 1.00 31.54 H new ATOM 0 HA GLN A 8 9.098 -24.640 -5.185 1.00 52.21 H new ATOM 0 HB2 GLN A 8 7.639 -23.327 -3.614 1.00 62.31 H new ATOM 0 HB3 GLN A 8 6.242 -24.138 -4.293 1.00 62.31 H new ATOM 0 HG2 GLN A 8 7.215 -26.349 -3.642 1.00 52.53 H new ATOM 0 HG3 GLN A 8 8.603 -25.531 -2.953 1.00 52.53 H new ATOM 0 HE21 GLN A 8 6.048 -27.168 -1.975 1.00 1.32 H new ATOM 0 HE22 GLN A 8 5.548 -26.259 -0.545 1.00 1.32 H new ATOM 166 N VAL A 9 8.321 -26.045 -7.246 1.00 22.31 N ATOM 167 CA VAL A 9 7.934 -27.031 -8.253 1.00 52.01 C ATOM 168 C VAL A 9 8.535 -28.400 -7.923 1.00 71.15 C ATOM 169 O VAL A 9 9.659 -28.705 -8.320 1.00 2.00 O ATOM 170 CB VAL A 9 8.384 -26.545 -9.639 1.00 14.10 C ATOM 171 CG1 VAL A 9 7.994 -27.526 -10.752 1.00 63.44 C ATOM 172 CG2 VAL A 9 7.764 -25.185 -9.977 1.00 5.31 C ATOM 0 H VAL A 9 9.286 -25.732 -7.351 1.00 22.31 H new ATOM 0 HA VAL A 9 6.850 -27.142 -8.256 1.00 52.01 H new ATOM 0 HB VAL A 9 9.470 -26.467 -9.589 1.00 14.10 H new ATOM 0 HG11 VAL A 9 8.333 -27.139 -11.713 1.00 63.44 H new ATOM 0 HG12 VAL A 9 8.461 -28.493 -10.565 1.00 63.44 H new ATOM 0 HG13 VAL A 9 6.911 -27.644 -10.770 1.00 63.44 H new ATOM 0 HG21 VAL A 9 8.101 -24.867 -10.964 1.00 5.31 H new ATOM 0 HG22 VAL A 9 6.677 -25.270 -9.974 1.00 5.31 H new ATOM 0 HG23 VAL A 9 8.072 -24.450 -9.234 1.00 5.31 H new ATOM 182 N TYR A 10 7.764 -29.213 -7.197 1.00 32.44 N ATOM 183 CA TYR A 10 8.143 -30.552 -6.742 1.00 52.15 C ATOM 184 C TYR A 10 7.274 -31.634 -7.387 1.00 62.53 C ATOM 185 O TYR A 10 6.142 -31.362 -7.779 1.00 74.33 O ATOM 186 CB TYR A 10 8.030 -30.635 -5.215 1.00 54.42 C ATOM 187 CG TYR A 10 6.654 -30.367 -4.634 1.00 0.33 C ATOM 188 CD1 TYR A 10 5.819 -31.432 -4.253 1.00 31.20 C ATOM 189 CD2 TYR A 10 6.255 -29.045 -4.374 1.00 1.34 C ATOM 190 CE1 TYR A 10 4.606 -31.175 -3.591 1.00 5.34 C ATOM 191 CE2 TYR A 10 5.042 -28.785 -3.717 1.00 21.21 C ATOM 192 CZ TYR A 10 4.220 -29.852 -3.314 1.00 62.35 C ATOM 193 OH TYR A 10 3.047 -29.606 -2.662 1.00 24.33 O ATOM 0 H TYR A 10 6.825 -28.947 -6.899 1.00 32.44 H new ATOM 0 HA TYR A 10 9.175 -30.728 -7.044 1.00 52.15 H new ATOM 0 HB2 TYR A 10 8.348 -31.629 -4.901 1.00 54.42 H new ATOM 0 HB3 TYR A 10 8.731 -29.923 -4.779 1.00 54.42 H new ATOM 0 HD1 TYR A 10 6.110 -32.449 -4.469 1.00 31.20 H new ATOM 0 HD2 TYR A 10 6.885 -28.224 -4.682 1.00 1.34 H new ATOM 0 HE1 TYR A 10 3.969 -31.996 -3.295 1.00 5.34 H new ATOM 0 HE2 TYR A 10 4.741 -27.767 -3.521 1.00 21.21 H new ATOM 0 HH TYR A 10 2.932 -28.639 -2.549 1.00 24.33 H new ATOM 203 N SER A 11 7.785 -32.871 -7.450 1.00 63.23 N ATOM 204 CA SER A 11 7.025 -34.036 -7.883 1.00 3.15 C ATOM 205 C SER A 11 6.290 -34.664 -6.700 1.00 25.32 C ATOM 206 O SER A 11 6.780 -34.648 -5.572 1.00 3.23 O ATOM 207 CB SER A 11 7.945 -35.073 -8.535 1.00 23.51 C ATOM 208 OG SER A 11 8.910 -35.558 -7.624 1.00 65.31 O ATOM 0 H SER A 11 8.750 -33.086 -7.197 1.00 63.23 H new ATOM 0 HA SER A 11 6.293 -33.707 -8.621 1.00 3.15 H new ATOM 0 HB2 SER A 11 7.348 -35.904 -8.911 1.00 23.51 H new ATOM 0 HB3 SER A 11 8.446 -34.627 -9.394 1.00 23.51 H new ATOM 0 HG SER A 11 9.479 -36.219 -8.071 1.00 65.31 H new ATOM 214 N ARG A 12 5.128 -35.254 -6.988 1.00 13.43 N ATOM 215 CA ARG A 12 4.352 -36.042 -6.046 1.00 15.51 C ATOM 216 C ARG A 12 5.014 -37.411 -5.906 1.00 44.31 C ATOM 217 O ARG A 12 5.465 -37.774 -4.821 1.00 24.43 O ATOM 218 CB ARG A 12 2.902 -36.168 -6.545 1.00 5.02 C ATOM 219 CG ARG A 12 1.989 -36.932 -5.578 1.00 0.03 C ATOM 220 CD ARG A 12 1.675 -36.120 -4.318 1.00 60.24 C ATOM 221 NE ARG A 12 0.753 -36.854 -3.444 1.00 11.02 N ATOM 222 CZ ARG A 12 0.226 -36.374 -2.306 1.00 40.44 C ATOM 223 NH1 ARG A 12 0.525 -35.141 -1.870 1.00 0.34 N ATOM 224 NH2 ARG A 12 -0.613 -37.141 -1.597 1.00 55.02 N ATOM 0 H ARG A 12 4.695 -35.191 -7.909 1.00 13.43 H new ATOM 0 HA ARG A 12 4.324 -35.559 -5.069 1.00 15.51 H new ATOM 0 HB2 ARG A 12 2.493 -35.171 -6.707 1.00 5.02 H new ATOM 0 HB3 ARG A 12 2.901 -36.674 -7.511 1.00 5.02 H new ATOM 0 HG2 ARG A 12 1.059 -37.188 -6.085 1.00 0.03 H new ATOM 0 HG3 ARG A 12 2.466 -37.870 -5.294 1.00 0.03 H new ATOM 0 HD2 ARG A 12 2.598 -35.902 -3.780 1.00 60.24 H new ATOM 0 HD3 ARG A 12 1.235 -35.162 -4.597 1.00 60.24 H new ATOM 0 HE ARG A 12 0.493 -37.800 -3.722 1.00 11.02 H new ATOM 0 HH11 ARG A 12 1.162 -34.551 -2.405 1.00 0.34 H new ATOM 0 HH12 ARG A 12 0.115 -34.793 -1.003 1.00 0.34 H new ATOM 0 HH21 ARG A 12 -0.845 -38.079 -1.923 1.00 55.02 H new ATOM 0 HH22 ARG A 12 -1.019 -36.787 -0.731 1.00 55.02 H new ATOM 238 N HIS A 13 5.052 -38.163 -7.013 1.00 73.42 N ATOM 239 CA HIS A 13 5.576 -39.517 -7.074 1.00 54.22 C ATOM 240 C HIS A 13 7.007 -39.485 -7.616 1.00 63.42 C ATOM 241 O HIS A 13 7.331 -38.606 -8.415 1.00 14.24 O ATOM 242 CB HIS A 13 4.665 -40.345 -7.986 1.00 20.13 C ATOM 243 CG HIS A 13 3.241 -40.386 -7.499 1.00 20.44 C ATOM 244 ND1 HIS A 13 2.850 -41.135 -6.400 1.00 12.40 N ATOM 245 CD2 HIS A 13 2.108 -39.728 -7.913 1.00 73.34 C ATOM 246 CE1 HIS A 13 1.537 -40.910 -6.215 1.00 42.52 C ATOM 247 NE2 HIS A 13 1.025 -40.056 -7.104 1.00 3.24 N ATOM 0 H HIS A 13 4.707 -37.829 -7.913 1.00 73.42 H new ATOM 0 HA HIS A 13 5.598 -39.968 -6.082 1.00 54.22 H new ATOM 0 HB2 HIS A 13 4.689 -39.928 -8.993 1.00 20.13 H new ATOM 0 HB3 HIS A 13 5.052 -41.362 -8.053 1.00 20.13 H new ATOM 0 HD2 HIS A 13 2.064 -39.049 -8.752 1.00 73.34 H new ATOM 0 HE1 HIS A 13 0.958 -41.372 -5.429 1.00 42.52 H new ATOM 0 HE2 HIS A 13 0.064 -39.722 -7.174 1.00 3.24 H new ATOM 255 N PRO A 14 7.869 -40.426 -7.201 1.00 44.24 N ATOM 256 CA PRO A 14 9.258 -40.488 -7.634 1.00 0.21 C ATOM 257 C PRO A 14 9.365 -40.834 -9.124 1.00 33.30 C ATOM 258 O PRO A 14 8.521 -41.550 -9.664 1.00 61.24 O ATOM 259 CB PRO A 14 9.905 -41.563 -6.757 1.00 73.14 C ATOM 260 CG PRO A 14 8.733 -42.479 -6.411 1.00 62.43 C ATOM 261 CD PRO A 14 7.580 -41.493 -6.258 1.00 23.20 C ATOM 0 HA PRO A 14 9.759 -39.526 -7.524 1.00 0.21 H new ATOM 0 HB2 PRO A 14 10.691 -42.098 -7.289 1.00 73.14 H new ATOM 0 HB3 PRO A 14 10.359 -41.135 -5.864 1.00 73.14 H new ATOM 0 HG2 PRO A 14 8.542 -43.209 -7.198 1.00 62.43 H new ATOM 0 HG3 PRO A 14 8.913 -43.039 -5.494 1.00 62.43 H new ATOM 0 HD2 PRO A 14 6.624 -41.967 -6.479 1.00 23.20 H new ATOM 0 HD3 PRO A 14 7.519 -41.113 -5.238 1.00 23.20 H new ATOM 269 N ALA A 15 10.413 -40.311 -9.778 1.00 12.00 N ATOM 270 CA ALA A 15 10.692 -40.479 -11.200 1.00 40.54 C ATOM 271 C ALA A 15 11.262 -41.872 -11.491 1.00 44.24 C ATOM 272 O ALA A 15 12.443 -42.019 -11.801 1.00 65.14 O ATOM 273 CB ALA A 15 11.636 -39.362 -11.659 1.00 51.22 C ATOM 0 H ALA A 15 11.113 -39.738 -9.306 1.00 12.00 H new ATOM 0 HA ALA A 15 9.764 -40.403 -11.766 1.00 40.54 H new ATOM 0 HB1 ALA A 15 11.850 -39.480 -12.721 1.00 51.22 H new ATOM 0 HB2 ALA A 15 11.164 -38.394 -11.489 1.00 51.22 H new ATOM 0 HB3 ALA A 15 12.566 -39.416 -11.093 1.00 51.22 H new ATOM 279 N GLU A 16 10.395 -42.887 -11.411 1.00 52.14 N ATOM 280 CA GLU A 16 10.703 -44.282 -11.692 1.00 41.44 C ATOM 281 C GLU A 16 10.542 -44.521 -13.197 1.00 42.33 C ATOM 282 O GLU A 16 9.628 -45.222 -13.632 1.00 3.25 O ATOM 283 CB GLU A 16 9.755 -45.171 -10.876 1.00 44.11 C ATOM 284 CG GLU A 16 9.909 -44.978 -9.363 1.00 20.14 C ATOM 285 CD GLU A 16 8.822 -45.750 -8.621 1.00 15.21 C ATOM 286 OE1 GLU A 16 9.118 -46.884 -8.189 1.00 31.42 O ATOM 287 OE2 GLU A 16 7.703 -45.201 -8.519 1.00 44.31 O ATOM 0 H GLU A 16 9.422 -42.747 -11.137 1.00 52.14 H new ATOM 0 HA GLU A 16 11.727 -44.526 -11.410 1.00 41.44 H new ATOM 0 HB2 GLU A 16 8.726 -44.954 -11.162 1.00 44.11 H new ATOM 0 HB3 GLU A 16 9.941 -46.216 -11.125 1.00 44.11 H new ATOM 0 HG2 GLU A 16 10.893 -45.322 -9.043 1.00 20.14 H new ATOM 0 HG3 GLU A 16 9.846 -43.918 -9.116 1.00 20.14 H new ATOM 294 N ASN A 17 11.419 -43.889 -13.989 1.00 4.03 N ATOM 295 CA ASN A 17 11.325 -43.801 -15.441 1.00 35.44 C ATOM 296 C ASN A 17 9.982 -43.172 -15.854 1.00 33.13 C ATOM 297 O ASN A 17 9.394 -42.418 -15.079 1.00 35.21 O ATOM 298 CB ASN A 17 11.644 -45.165 -16.090 1.00 31.34 C ATOM 299 CG ASN A 17 12.681 -45.041 -17.213 1.00 41.43 C ATOM 300 OD1 ASN A 17 12.326 -44.409 -18.335 1.00 34.12 O flip ATOM 301 ND2 ASN A 17 13.808 -45.509 -17.061 1.00 42.11 N flip ATOM 0 H ASN A 17 12.239 -43.411 -13.617 1.00 4.03 H new ATOM 0 HA ASN A 17 12.086 -43.124 -15.830 1.00 35.44 H new ATOM 0 HB2 ASN A 17 12.015 -45.850 -15.328 1.00 31.34 H new ATOM 0 HB3 ASN A 17 10.728 -45.599 -16.490 1.00 31.34 H new ATOM 0 HD21 ASN A 17 14.049 -45.986 -16.192 1.00 42.11 H new ATOM 0 HD22 ASN A 17 14.502 -45.420 -17.803 1.00 42.11 H new ATOM 308 N GLY A 18 9.503 -43.458 -17.070 1.00 20.43 N ATOM 309 CA GLY A 18 8.310 -42.856 -17.641 1.00 2.02 C ATOM 310 C GLY A 18 7.037 -43.420 -17.011 1.00 21.40 C ATOM 311 O GLY A 18 6.476 -44.387 -17.523 1.00 72.54 O ATOM 0 H GLY A 18 9.950 -44.131 -17.693 1.00 20.43 H new ATOM 0 HA2 GLY A 18 8.341 -41.776 -17.495 1.00 2.02 H new ATOM 0 HA3 GLY A 18 8.293 -43.032 -18.717 1.00 2.02 H new ATOM 315 N LYS A 19 6.568 -42.785 -15.928 1.00 40.42 N ATOM 316 CA LYS A 19 5.308 -43.091 -15.265 1.00 21.10 C ATOM 317 C LYS A 19 4.606 -41.786 -14.892 1.00 73.43 C ATOM 318 O LYS A 19 5.249 -40.837 -14.446 1.00 65.42 O ATOM 319 CB LYS A 19 5.576 -43.967 -14.034 1.00 52.15 C ATOM 320 CG LYS A 19 4.324 -44.153 -13.163 1.00 1.55 C ATOM 321 CD LYS A 19 4.404 -45.385 -12.249 1.00 60.33 C ATOM 322 CE LYS A 19 5.665 -45.448 -11.381 1.00 71.21 C ATOM 323 NZ LYS A 19 5.794 -44.271 -10.506 1.00 61.21 N ATOM 0 H LYS A 19 7.076 -42.022 -15.481 1.00 40.42 H new ATOM 0 HA LYS A 19 4.652 -43.649 -15.933 1.00 21.10 H new ATOM 0 HB2 LYS A 19 5.938 -44.943 -14.358 1.00 52.15 H new ATOM 0 HB3 LYS A 19 6.368 -43.516 -13.436 1.00 52.15 H new ATOM 0 HG2 LYS A 19 4.179 -43.263 -12.551 1.00 1.55 H new ATOM 0 HG3 LYS A 19 3.450 -44.243 -13.808 1.00 1.55 H new ATOM 0 HD2 LYS A 19 3.529 -45.397 -11.599 1.00 60.33 H new ATOM 0 HD3 LYS A 19 4.356 -46.283 -12.865 1.00 60.33 H new ATOM 0 HE2 LYS A 19 5.640 -46.351 -10.772 1.00 71.21 H new ATOM 0 HE3 LYS A 19 6.543 -45.520 -12.023 1.00 71.21 H new ATOM 0 HZ1 LYS A 19 6.450 -44.487 -9.729 1.00 61.21 H new ATOM 0 HZ2 LYS A 19 6.161 -43.468 -11.056 1.00 61.21 H new ATOM 0 HZ3 LYS A 19 4.862 -44.026 -10.114 1.00 61.21 H new ATOM 337 N SER A 20 3.279 -41.771 -15.072 1.00 20.25 N ATOM 338 CA SER A 20 2.380 -40.682 -14.721 1.00 44.21 C ATOM 339 C SER A 20 2.555 -40.279 -13.255 1.00 4.23 C ATOM 340 O SER A 20 2.051 -40.949 -12.355 1.00 13.24 O ATOM 341 CB SER A 20 0.939 -41.127 -14.991 1.00 55.24 C ATOM 342 OG SER A 20 0.728 -41.279 -16.379 1.00 44.05 O ATOM 0 H SER A 20 2.786 -42.561 -15.488 1.00 20.25 H new ATOM 0 HA SER A 20 2.615 -39.809 -15.330 1.00 44.21 H new ATOM 0 HB2 SER A 20 0.740 -42.069 -14.480 1.00 55.24 H new ATOM 0 HB3 SER A 20 0.242 -40.392 -14.588 1.00 55.24 H new ATOM 0 HG SER A 20 -0.195 -41.565 -16.540 1.00 44.05 H new ATOM 348 N ASN A 21 3.275 -39.173 -13.037 1.00 34.40 N ATOM 349 CA ASN A 21 3.532 -38.559 -11.744 1.00 11.41 C ATOM 350 C ASN A 21 2.907 -37.168 -11.767 1.00 54.21 C ATOM 351 O ASN A 21 2.940 -36.515 -12.802 1.00 24.30 O ATOM 352 CB ASN A 21 5.045 -38.418 -11.546 1.00 3.30 C ATOM 353 CG ASN A 21 5.792 -39.746 -11.435 1.00 52.12 C ATOM 354 OD1 ASN A 21 5.201 -40.824 -11.412 1.00 72.12 O ATOM 355 ND2 ASN A 21 7.118 -39.653 -11.344 1.00 74.42 N ATOM 0 H ASN A 21 3.714 -38.661 -13.802 1.00 34.40 H new ATOM 0 HA ASN A 21 3.115 -39.164 -10.939 1.00 11.41 H new ATOM 0 HB2 ASN A 21 5.457 -37.851 -12.381 1.00 3.30 H new ATOM 0 HB3 ASN A 21 5.229 -37.835 -10.644 1.00 3.30 H new ATOM 0 HD21 ASN A 21 7.683 -40.497 -11.251 1.00 74.42 H new ATOM 0 HD22 ASN A 21 7.568 -38.738 -11.367 1.00 74.42 H new ATOM 362 N PHE A 22 2.353 -36.693 -10.647 1.00 35.42 N ATOM 363 CA PHE A 22 1.764 -35.361 -10.578 1.00 62.51 C ATOM 364 C PHE A 22 2.812 -34.338 -10.139 1.00 35.10 C ATOM 365 O PHE A 22 3.448 -34.516 -9.105 1.00 31.10 O ATOM 366 CB PHE A 22 0.552 -35.380 -9.641 1.00 42.22 C ATOM 367 CG PHE A 22 -0.644 -36.105 -10.232 1.00 52.04 C ATOM 368 CD1 PHE A 22 -1.502 -35.424 -11.117 1.00 40.03 C ATOM 369 CD2 PHE A 22 -0.860 -37.470 -9.966 1.00 12.11 C ATOM 370 CE1 PHE A 22 -2.615 -36.081 -11.668 1.00 31.33 C ATOM 371 CE2 PHE A 22 -1.941 -38.142 -10.563 1.00 14.21 C ATOM 372 CZ PHE A 22 -2.830 -37.444 -11.399 1.00 34.33 C ATOM 0 H PHE A 22 2.302 -37.218 -9.774 1.00 35.42 H new ATOM 0 HA PHE A 22 1.417 -35.063 -11.567 1.00 62.51 H new ATOM 0 HB2 PHE A 22 0.833 -35.859 -8.703 1.00 42.22 H new ATOM 0 HB3 PHE A 22 0.267 -34.355 -9.403 1.00 42.22 H new ATOM 0 HD1 PHE A 22 -1.304 -34.394 -11.373 1.00 40.03 H new ATOM 0 HD2 PHE A 22 -0.194 -38.002 -9.302 1.00 12.11 H new ATOM 0 HE1 PHE A 22 -3.305 -35.539 -12.298 1.00 31.33 H new ATOM 0 HE2 PHE A 22 -2.089 -39.196 -10.379 1.00 14.21 H new ATOM 0 HZ PHE A 22 -3.677 -37.954 -11.834 1.00 34.33 H new ATOM 382 N LEU A 23 2.979 -33.256 -10.912 1.00 12.22 N ATOM 383 CA LEU A 23 3.817 -32.115 -10.548 1.00 62.14 C ATOM 384 C LEU A 23 3.074 -31.297 -9.485 1.00 42.31 C ATOM 385 O LEU A 23 1.916 -31.585 -9.196 1.00 54.31 O ATOM 386 CB LEU A 23 4.104 -31.297 -11.822 1.00 3.34 C ATOM 387 CG LEU A 23 5.263 -30.284 -11.761 1.00 13.21 C ATOM 388 CD1 LEU A 23 6.589 -30.943 -11.362 1.00 13.25 C ATOM 389 CD2 LEU A 23 5.438 -29.659 -13.149 1.00 2.22 C ATOM 0 H LEU A 23 2.527 -33.152 -11.820 1.00 12.22 H new ATOM 0 HA LEU A 23 4.774 -32.426 -10.128 1.00 62.14 H new ATOM 0 HB2 LEU A 23 4.308 -31.996 -12.633 1.00 3.34 H new ATOM 0 HB3 LEU A 23 3.196 -30.756 -12.088 1.00 3.34 H new ATOM 0 HG LEU A 23 5.014 -29.537 -11.007 1.00 13.21 H new ATOM 0 HD11 LEU A 23 7.376 -30.189 -11.333 1.00 13.25 H new ATOM 0 HD12 LEU A 23 6.487 -31.399 -10.377 1.00 13.25 H new ATOM 0 HD13 LEU A 23 6.848 -31.710 -12.092 1.00 13.25 H new ATOM 0 HD21 LEU A 23 6.256 -28.939 -13.123 1.00 2.22 H new ATOM 0 HD22 LEU A 23 5.666 -30.441 -13.874 1.00 2.22 H new ATOM 0 HD23 LEU A 23 4.517 -29.153 -13.439 1.00 2.22 H new ATOM 401 N ASN A 24 3.723 -30.294 -8.882 1.00 63.12 N ATOM 402 CA ASN A 24 3.107 -29.435 -7.879 1.00 20.44 C ATOM 403 C ASN A 24 3.810 -28.083 -7.876 1.00 44.35 C ATOM 404 O ASN A 24 4.722 -27.883 -7.077 1.00 72.23 O ATOM 405 CB ASN A 24 3.229 -30.071 -6.487 1.00 42.43 C ATOM 406 CG ASN A 24 2.399 -31.338 -6.314 1.00 44.05 C ATOM 407 OD1 ASN A 24 1.172 -31.285 -6.320 1.00 1.04 O ATOM 408 ND2 ASN A 24 3.070 -32.481 -6.144 1.00 24.13 N ATOM 0 H ASN A 24 4.695 -30.059 -9.081 1.00 63.12 H new ATOM 0 HA ASN A 24 2.052 -29.307 -8.120 1.00 20.44 H new ATOM 0 HB2 ASN A 24 4.276 -30.305 -6.295 1.00 42.43 H new ATOM 0 HB3 ASN A 24 2.923 -29.342 -5.737 1.00 42.43 H new ATOM 0 HD21 ASN A 24 2.562 -33.356 -6.012 1.00 24.13 H new ATOM 0 HD22 ASN A 24 4.090 -32.479 -6.146 1.00 24.13 H new ATOM 415 N CYS A 25 3.370 -27.148 -8.728 1.00 52.33 N ATOM 416 CA CYS A 25 3.838 -25.767 -8.675 1.00 22.20 C ATOM 417 C CYS A 25 3.023 -25.026 -7.612 1.00 44.15 C ATOM 418 O CYS A 25 1.985 -24.437 -7.913 1.00 73.54 O ATOM 419 CB CYS A 25 3.744 -25.086 -10.046 1.00 15.53 C ATOM 420 SG CYS A 25 4.325 -26.052 -11.463 1.00 12.41 S ATOM 0 H CYS A 25 2.687 -27.330 -9.464 1.00 52.33 H new ATOM 0 HA CYS A 25 4.893 -25.746 -8.403 1.00 22.20 H new ATOM 0 HB2 CYS A 25 2.704 -24.813 -10.222 1.00 15.53 H new ATOM 0 HB3 CYS A 25 4.315 -24.158 -10.007 1.00 15.53 H new ATOM 425 N TYR A 26 3.493 -25.084 -6.359 1.00 31.32 N ATOM 426 CA TYR A 26 2.807 -24.513 -5.211 1.00 1.42 C ATOM 427 C TYR A 26 3.156 -23.028 -5.090 1.00 14.00 C ATOM 428 O TYR A 26 4.050 -22.655 -4.332 1.00 20.33 O ATOM 429 CB TYR A 26 3.167 -25.314 -3.953 1.00 2.42 C ATOM 430 CG TYR A 26 2.499 -24.819 -2.683 1.00 43.42 C ATOM 431 CD1 TYR A 26 3.223 -24.051 -1.752 1.00 24.31 C ATOM 432 CD2 TYR A 26 1.144 -25.108 -2.440 1.00 12.31 C ATOM 433 CE1 TYR A 26 2.591 -23.556 -0.599 1.00 75.41 C ATOM 434 CE2 TYR A 26 0.530 -24.669 -1.255 1.00 43.44 C ATOM 435 CZ TYR A 26 1.246 -23.875 -0.343 1.00 25.54 C ATOM 436 OH TYR A 26 0.642 -23.417 0.792 1.00 12.24 O ATOM 0 H TYR A 26 4.375 -25.538 -6.119 1.00 31.32 H new ATOM 0 HA TYR A 26 1.726 -24.577 -5.338 1.00 1.42 H new ATOM 0 HB2 TYR A 26 2.893 -26.357 -4.110 1.00 2.42 H new ATOM 0 HB3 TYR A 26 4.248 -25.285 -3.816 1.00 2.42 H new ATOM 0 HD1 TYR A 26 4.268 -23.841 -1.925 1.00 24.31 H new ATOM 0 HD2 TYR A 26 0.574 -25.669 -3.166 1.00 12.31 H new ATOM 0 HE1 TYR A 26 3.138 -22.930 0.091 1.00 75.41 H new ATOM 0 HE2 TYR A 26 -0.494 -24.942 -1.045 1.00 43.44 H new ATOM 0 HH TYR A 26 -0.288 -23.727 0.816 1.00 12.24 H new ATOM 446 N VAL A 27 2.453 -22.181 -5.852 1.00 53.43 N ATOM 447 CA VAL A 27 2.709 -20.747 -5.903 1.00 75.35 C ATOM 448 C VAL A 27 1.876 -20.021 -4.844 1.00 14.22 C ATOM 449 O VAL A 27 0.732 -19.657 -5.093 1.00 52.11 O ATOM 450 CB VAL A 27 2.521 -20.188 -7.331 1.00 32.14 C ATOM 451 CG1 VAL A 27 3.710 -20.574 -8.223 1.00 72.13 C ATOM 452 CG2 VAL A 27 1.230 -20.624 -8.035 1.00 32.23 C ATOM 0 H VAL A 27 1.685 -22.480 -6.453 1.00 53.43 H new ATOM 0 HA VAL A 27 3.755 -20.563 -5.658 1.00 75.35 H new ATOM 0 HB VAL A 27 2.456 -19.109 -7.192 1.00 32.14 H new ATOM 0 HG11 VAL A 27 3.559 -20.171 -9.225 1.00 72.13 H new ATOM 0 HG12 VAL A 27 4.629 -20.165 -7.802 1.00 72.13 H new ATOM 0 HG13 VAL A 27 3.787 -21.660 -8.276 1.00 72.13 H new ATOM 0 HG21 VAL A 27 1.190 -20.180 -9.030 1.00 32.23 H new ATOM 0 HG22 VAL A 27 1.212 -21.710 -8.121 1.00 32.23 H new ATOM 0 HG23 VAL A 27 0.369 -20.292 -7.455 1.00 32.23 H new ATOM 462 N SER A 28 2.462 -19.809 -3.658 1.00 24.14 N ATOM 463 CA SER A 28 1.859 -19.044 -2.571 1.00 75.21 C ATOM 464 C SER A 28 2.350 -17.592 -2.590 1.00 65.11 C ATOM 465 O SER A 28 3.284 -17.257 -3.316 1.00 63.53 O ATOM 466 CB SER A 28 2.184 -19.721 -1.233 1.00 1.34 C ATOM 467 OG SER A 28 3.573 -19.743 -0.992 1.00 55.43 O ATOM 0 H SER A 28 3.386 -20.174 -3.428 1.00 24.14 H new ATOM 0 HA SER A 28 0.777 -19.023 -2.703 1.00 75.21 H new ATOM 0 HB2 SER A 28 1.681 -19.191 -0.424 1.00 1.34 H new ATOM 0 HB3 SER A 28 1.797 -20.740 -1.236 1.00 1.34 H new ATOM 0 HG SER A 28 3.749 -20.179 -0.132 1.00 55.43 H new ATOM 473 N GLY A 29 1.743 -16.738 -1.757 1.00 1.11 N ATOM 474 CA GLY A 29 2.250 -15.405 -1.459 1.00 12.02 C ATOM 475 C GLY A 29 1.661 -14.312 -2.348 1.00 42.41 C ATOM 476 O GLY A 29 1.224 -13.287 -1.832 1.00 64.41 O ATOM 0 H GLY A 29 0.876 -16.962 -1.268 1.00 1.11 H new ATOM 0 HA2 GLY A 29 2.035 -15.169 -0.417 1.00 12.02 H new ATOM 0 HA3 GLY A 29 3.334 -15.405 -1.569 1.00 12.02 H new ATOM 480 N PHE A 30 1.683 -14.500 -3.673 1.00 2.31 N ATOM 481 CA PHE A 30 1.473 -13.417 -4.625 1.00 24.14 C ATOM 482 C PHE A 30 0.107 -12.732 -4.521 1.00 60.11 C ATOM 483 O PHE A 30 -0.905 -13.392 -4.298 1.00 1.34 O ATOM 484 CB PHE A 30 1.677 -13.918 -6.058 1.00 33.45 C ATOM 485 CG PHE A 30 0.572 -14.823 -6.559 1.00 20.32 C ATOM 486 CD1 PHE A 30 0.556 -16.187 -6.211 1.00 40.21 C ATOM 487 CD2 PHE A 30 -0.531 -14.259 -7.225 1.00 73.23 C ATOM 488 CE1 PHE A 30 -0.583 -16.963 -6.487 1.00 13.33 C ATOM 489 CE2 PHE A 30 -1.665 -15.039 -7.496 1.00 43.34 C ATOM 490 CZ PHE A 30 -1.707 -16.378 -7.088 1.00 11.13 C ATOM 0 H PHE A 30 1.847 -15.408 -4.109 1.00 2.31 H new ATOM 0 HA PHE A 30 2.216 -12.663 -4.366 1.00 24.14 H new ATOM 0 HB2 PHE A 30 1.758 -13.059 -6.724 1.00 33.45 H new ATOM 0 HB3 PHE A 30 2.624 -14.454 -6.113 1.00 33.45 H new ATOM 0 HD1 PHE A 30 1.415 -16.635 -5.734 1.00 40.21 H new ATOM 0 HD2 PHE A 30 -0.505 -13.223 -7.529 1.00 73.23 H new ATOM 0 HE1 PHE A 30 -0.593 -18.013 -6.235 1.00 13.33 H new ATOM 0 HE2 PHE A 30 -2.505 -14.607 -8.019 1.00 43.34 H new ATOM 0 HZ PHE A 30 -2.605 -16.960 -7.236 1.00 11.13 H new ATOM 500 N HIS A 31 0.096 -11.411 -4.750 1.00 24.30 N ATOM 501 CA HIS A 31 -1.095 -10.618 -5.050 1.00 75.11 C ATOM 502 C HIS A 31 -1.044 -10.185 -6.519 1.00 41.45 C ATOM 503 O HIS A 31 0.050 -9.938 -7.022 1.00 53.13 O ATOM 504 CB HIS A 31 -1.137 -9.364 -4.165 1.00 35.32 C ATOM 505 CG HIS A 31 -1.820 -9.586 -2.843 1.00 11.02 C ATOM 506 ND1 HIS A 31 -2.861 -8.780 -2.408 1.00 21.43 N ATOM 507 CD2 HIS A 31 -1.674 -10.547 -1.874 1.00 23.44 C ATOM 508 CE1 HIS A 31 -3.266 -9.258 -1.221 1.00 51.45 C ATOM 509 NE2 HIS A 31 -2.580 -10.335 -0.839 1.00 51.14 N ATOM 0 H HIS A 31 0.948 -10.850 -4.730 1.00 24.30 H new ATOM 0 HA HIS A 31 -1.983 -11.221 -4.858 1.00 75.11 H new ATOM 0 HB2 HIS A 31 -0.118 -9.021 -3.986 1.00 35.32 H new ATOM 0 HB3 HIS A 31 -1.652 -8.567 -4.702 1.00 35.32 H new ATOM 0 HD2 HIS A 31 -0.957 -11.354 -1.910 1.00 23.44 H new ATOM 0 HE1 HIS A 31 -4.062 -8.818 -0.638 1.00 51.45 H new ATOM 0 HE2 HIS A 31 -2.693 -10.879 0.016 1.00 51.14 H new ATOM 517 N PRO A 32 -2.185 -10.019 -7.209 1.00 22.41 N ATOM 518 CA PRO A 32 -3.543 -10.220 -6.730 1.00 41.22 C ATOM 519 C PRO A 32 -3.921 -11.689 -6.980 1.00 33.11 C ATOM 520 O PRO A 32 -3.127 -12.568 -6.661 1.00 13.31 O ATOM 521 CB PRO A 32 -4.353 -9.201 -7.538 1.00 2.23 C ATOM 522 CG PRO A 32 -3.692 -9.287 -8.913 1.00 52.54 C ATOM 523 CD PRO A 32 -2.214 -9.465 -8.554 1.00 53.01 C ATOM 0 HA PRO A 32 -3.710 -10.061 -5.665 1.00 41.22 H new ATOM 0 HB2 PRO A 32 -5.411 -9.460 -7.577 1.00 2.23 H new ATOM 0 HB3 PRO A 32 -4.286 -8.199 -7.115 1.00 2.23 H new ATOM 0 HG2 PRO A 32 -4.073 -10.126 -9.496 1.00 52.54 H new ATOM 0 HG3 PRO A 32 -3.862 -8.386 -9.503 1.00 52.54 H new ATOM 0 HD2 PRO A 32 -1.720 -10.132 -9.260 1.00 53.01 H new ATOM 0 HD3 PRO A 32 -1.687 -8.512 -8.594 1.00 53.01 H new ATOM 531 N SER A 33 -5.097 -11.973 -7.555 1.00 23.20 N ATOM 532 CA SER A 33 -5.542 -13.322 -7.890 1.00 32.45 C ATOM 533 C SER A 33 -4.974 -13.806 -9.232 1.00 52.44 C ATOM 534 O SER A 33 -4.782 -15.007 -9.420 1.00 3.24 O ATOM 535 CB SER A 33 -7.074 -13.335 -7.925 1.00 13.12 C ATOM 536 OG SER A 33 -7.553 -12.394 -8.864 1.00 43.01 O ATOM 0 H SER A 33 -5.776 -11.253 -7.803 1.00 23.20 H new ATOM 0 HA SER A 33 -5.171 -14.008 -7.128 1.00 32.45 H new ATOM 0 HB2 SER A 33 -7.430 -14.332 -8.186 1.00 13.12 H new ATOM 0 HB3 SER A 33 -7.469 -13.104 -6.936 1.00 13.12 H new ATOM 0 HG SER A 33 -8.533 -12.414 -8.877 1.00 43.01 H new ATOM 542 N ASP A 34 -4.756 -12.875 -10.170 1.00 71.21 N ATOM 543 CA ASP A 34 -4.530 -13.142 -11.584 1.00 72.25 C ATOM 544 C ASP A 34 -3.076 -13.517 -11.890 1.00 33.43 C ATOM 545 O ASP A 34 -2.360 -12.753 -12.536 1.00 62.42 O ATOM 546 CB ASP A 34 -4.967 -11.906 -12.384 1.00 74.44 C ATOM 547 CG ASP A 34 -6.407 -11.503 -12.072 1.00 62.22 C ATOM 548 OD1 ASP A 34 -7.316 -12.236 -12.518 1.00 1.34 O ATOM 549 OD2 ASP A 34 -6.570 -10.474 -11.380 1.00 1.14 O ATOM 0 H ASP A 34 -4.733 -11.879 -9.949 1.00 71.21 H new ATOM 0 HA ASP A 34 -5.123 -14.009 -11.876 1.00 72.25 H new ATOM 0 HB2 ASP A 34 -4.300 -11.074 -12.158 1.00 74.44 H new ATOM 0 HB3 ASP A 34 -4.871 -12.111 -13.450 1.00 74.44 H new ATOM 554 N ILE A 35 -2.659 -14.718 -11.469 1.00 22.24 N ATOM 555 CA ILE A 35 -1.391 -15.318 -11.880 1.00 5.32 C ATOM 556 C ILE A 35 -1.580 -16.113 -13.175 1.00 33.31 C ATOM 557 O ILE A 35 -2.705 -16.466 -13.529 1.00 73.53 O ATOM 558 CB ILE A 35 -0.788 -16.151 -10.734 1.00 33.33 C ATOM 559 CG1 ILE A 35 0.688 -16.488 -11.004 1.00 51.14 C ATOM 560 CG2 ILE A 35 -1.616 -17.411 -10.445 1.00 51.45 C ATOM 561 CD1 ILE A 35 1.433 -16.862 -9.722 1.00 31.14 C ATOM 0 H ILE A 35 -3.198 -15.302 -10.829 1.00 22.24 H new ATOM 0 HA ILE A 35 -0.667 -14.533 -12.097 1.00 5.32 H new ATOM 0 HB ILE A 35 -0.823 -15.537 -9.834 1.00 33.33 H new ATOM 0 HG12 ILE A 35 0.748 -17.314 -11.712 1.00 51.14 H new ATOM 0 HG13 ILE A 35 1.176 -15.632 -11.471 1.00 51.14 H new ATOM 0 HG21 ILE A 35 -1.156 -17.970 -9.630 1.00 51.45 H new ATOM 0 HG22 ILE A 35 -2.629 -17.124 -10.162 1.00 51.45 H new ATOM 0 HG23 ILE A 35 -1.652 -18.035 -11.338 1.00 51.45 H new ATOM 0 HD11 ILE A 35 2.472 -17.092 -9.959 1.00 31.14 H new ATOM 0 HD12 ILE A 35 1.397 -16.026 -9.023 1.00 31.14 H new ATOM 0 HD13 ILE A 35 0.962 -17.734 -9.269 1.00 31.14 H new ATOM 573 N GLU A 36 -0.476 -16.359 -13.891 1.00 23.31 N ATOM 574 CA GLU A 36 -0.474 -16.906 -15.240 1.00 64.14 C ATOM 575 C GLU A 36 0.585 -18.009 -15.332 1.00 72.31 C ATOM 576 O GLU A 36 1.637 -17.835 -15.945 1.00 14.24 O ATOM 577 CB GLU A 36 -0.184 -15.768 -16.222 1.00 31.23 C ATOM 578 CG GLU A 36 -1.211 -14.629 -16.173 1.00 64.51 C ATOM 579 CD GLU A 36 -0.762 -13.464 -17.050 1.00 20.31 C ATOM 580 OE1 GLU A 36 -1.316 -13.337 -18.164 1.00 61.25 O ATOM 581 OE2 GLU A 36 0.134 -12.722 -16.590 1.00 1.22 O ATOM 0 H GLU A 36 0.461 -16.176 -13.533 1.00 23.31 H new ATOM 0 HA GLU A 36 -1.441 -17.345 -15.488 1.00 64.14 H new ATOM 0 HB2 GLU A 36 0.805 -15.362 -16.011 1.00 31.23 H new ATOM 0 HB3 GLU A 36 -0.153 -16.173 -17.234 1.00 31.23 H new ATOM 0 HG2 GLU A 36 -2.182 -14.992 -16.510 1.00 64.51 H new ATOM 0 HG3 GLU A 36 -1.337 -14.290 -15.145 1.00 64.51 H new ATOM 588 N VAL A 37 0.290 -19.156 -14.712 1.00 24.21 N ATOM 589 CA VAL A 37 1.139 -20.340 -14.752 1.00 5.31 C ATOM 590 C VAL A 37 0.830 -21.115 -16.033 1.00 31.40 C ATOM 591 O VAL A 37 -0.045 -21.979 -16.064 1.00 13.10 O ATOM 592 CB VAL A 37 0.951 -21.191 -13.490 1.00 14.51 C ATOM 593 CG1 VAL A 37 1.887 -22.405 -13.507 1.00 22.44 C ATOM 594 CG2 VAL A 37 1.253 -20.350 -12.245 1.00 41.43 C ATOM 0 H VAL A 37 -0.559 -19.285 -14.161 1.00 24.21 H new ATOM 0 HA VAL A 37 2.190 -20.051 -14.766 1.00 5.31 H new ATOM 0 HB VAL A 37 -0.082 -21.537 -13.466 1.00 14.51 H new ATOM 0 HG11 VAL A 37 1.736 -22.994 -12.602 1.00 22.44 H new ATOM 0 HG12 VAL A 37 1.670 -23.020 -14.380 1.00 22.44 H new ATOM 0 HG13 VAL A 37 2.922 -22.066 -13.551 1.00 22.44 H new ATOM 0 HG21 VAL A 37 1.118 -20.960 -11.352 1.00 41.43 H new ATOM 0 HG22 VAL A 37 2.282 -19.993 -12.288 1.00 41.43 H new ATOM 0 HG23 VAL A 37 0.574 -19.498 -12.208 1.00 41.43 H new ATOM 604 N ASP A 38 1.570 -20.778 -17.090 1.00 4.14 N ATOM 605 CA ASP A 38 1.375 -21.273 -18.445 1.00 4.03 C ATOM 606 C ASP A 38 2.272 -22.493 -18.687 1.00 15.43 C ATOM 607 O ASP A 38 2.984 -22.548 -19.687 1.00 51.32 O ATOM 608 CB ASP A 38 1.699 -20.129 -19.421 1.00 14.40 C ATOM 609 CG ASP A 38 0.970 -18.827 -19.089 1.00 15.12 C ATOM 610 OD1 ASP A 38 -0.246 -18.900 -18.806 1.00 52.14 O ATOM 611 OD2 ASP A 38 1.648 -17.777 -19.124 1.00 1.54 O ATOM 0 H ASP A 38 2.352 -20.127 -17.018 1.00 4.14 H new ATOM 0 HA ASP A 38 0.344 -21.593 -18.599 1.00 4.03 H new ATOM 0 HB2 ASP A 38 2.774 -19.948 -19.414 1.00 14.40 H new ATOM 0 HB3 ASP A 38 1.435 -20.438 -20.432 1.00 14.40 H new ATOM 616 N LEU A 39 2.267 -23.453 -17.750 1.00 14.43 N ATOM 617 CA LEU A 39 3.286 -24.493 -17.640 1.00 25.44 C ATOM 618 C LEU A 39 3.372 -25.434 -18.839 1.00 54.54 C ATOM 619 O LEU A 39 2.427 -25.560 -19.617 1.00 55.53 O ATOM 620 CB LEU A 39 3.139 -25.268 -16.327 1.00 1.00 C ATOM 621 CG LEU A 39 1.994 -26.289 -16.300 1.00 31.24 C ATOM 622 CD1 LEU A 39 2.107 -27.103 -15.004 1.00 12.33 C ATOM 623 CD2 LEU A 39 0.599 -25.656 -16.361 1.00 24.44 C ATOM 0 H LEU A 39 1.540 -23.525 -17.038 1.00 14.43 H new ATOM 0 HA LEU A 39 4.239 -23.963 -17.635 1.00 25.44 H new ATOM 0 HB2 LEU A 39 4.075 -25.789 -16.124 1.00 1.00 H new ATOM 0 HB3 LEU A 39 2.989 -24.555 -15.517 1.00 1.00 H new ATOM 0 HG LEU A 39 2.096 -26.909 -17.191 1.00 31.24 H new ATOM 0 HD11 LEU A 39 1.302 -27.836 -14.964 1.00 12.33 H new ATOM 0 HD12 LEU A 39 3.068 -27.617 -14.980 1.00 12.33 H new ATOM 0 HD13 LEU A 39 2.032 -26.434 -14.147 1.00 12.33 H new ATOM 0 HD21 LEU A 39 -0.158 -26.440 -16.338 1.00 24.44 H new ATOM 0 HD22 LEU A 39 0.462 -24.994 -15.506 1.00 24.44 H new ATOM 0 HD23 LEU A 39 0.499 -25.083 -17.283 1.00 24.44 H new ATOM 635 N LEU A 40 4.549 -26.062 -18.969 1.00 63.31 N ATOM 636 CA LEU A 40 5.022 -26.696 -20.192 1.00 51.54 C ATOM 637 C LEU A 40 5.466 -28.139 -19.957 1.00 60.11 C ATOM 638 O LEU A 40 5.707 -28.554 -18.823 1.00 62.32 O ATOM 639 CB LEU A 40 6.222 -25.908 -20.748 1.00 41.12 C ATOM 640 CG LEU A 40 6.021 -24.386 -20.825 1.00 13.10 C ATOM 641 CD1 LEU A 40 7.288 -23.736 -21.391 1.00 14.22 C ATOM 642 CD2 LEU A 40 4.820 -24.026 -21.701 1.00 65.33 C ATOM 0 H LEU A 40 5.213 -26.141 -18.199 1.00 63.31 H new ATOM 0 HA LEU A 40 4.191 -26.699 -20.897 1.00 51.54 H new ATOM 0 HB2 LEU A 40 7.092 -26.113 -20.125 1.00 41.12 H new ATOM 0 HB3 LEU A 40 6.450 -26.280 -21.747 1.00 41.12 H new ATOM 0 HG LEU A 40 5.827 -24.013 -19.819 1.00 13.10 H new ATOM 0 HD11 LEU A 40 7.149 -22.656 -21.447 1.00 14.22 H new ATOM 0 HD12 LEU A 40 8.133 -23.960 -20.740 1.00 14.22 H new ATOM 0 HD13 LEU A 40 7.484 -24.129 -22.389 1.00 14.22 H new ATOM 0 HD21 LEU A 40 4.706 -22.943 -21.734 1.00 65.33 H new ATOM 0 HD22 LEU A 40 4.979 -24.405 -22.710 1.00 65.33 H new ATOM 0 HD23 LEU A 40 3.918 -24.473 -21.283 1.00 65.33 H new ATOM 654 N LYS A 41 5.636 -28.865 -21.069 1.00 0.34 N ATOM 655 CA LYS A 41 6.342 -30.130 -21.137 1.00 24.23 C ATOM 656 C LYS A 41 7.106 -30.177 -22.462 1.00 24.11 C ATOM 657 O LYS A 41 6.519 -30.386 -23.521 1.00 3.11 O ATOM 658 CB LYS A 41 5.392 -31.317 -20.934 1.00 44.01 C ATOM 659 CG LYS A 41 4.190 -31.409 -21.886 1.00 3.12 C ATOM 660 CD LYS A 41 3.332 -32.652 -21.601 1.00 51.12 C ATOM 661 CE LYS A 41 4.099 -33.978 -21.708 1.00 52.41 C ATOM 662 NZ LYS A 41 4.805 -34.115 -22.995 1.00 71.44 N ATOM 0 H LYS A 41 5.269 -28.568 -21.973 1.00 0.34 H new ATOM 0 HA LYS A 41 7.062 -30.210 -20.322 1.00 24.23 H new ATOM 0 HB2 LYS A 41 5.971 -32.236 -21.027 1.00 44.01 H new ATOM 0 HB3 LYS A 41 5.015 -31.280 -19.912 1.00 44.01 H new ATOM 0 HG2 LYS A 41 3.577 -30.513 -21.786 1.00 3.12 H new ATOM 0 HG3 LYS A 41 4.544 -31.440 -22.917 1.00 3.12 H new ATOM 0 HD2 LYS A 41 2.910 -32.568 -20.599 1.00 51.12 H new ATOM 0 HD3 LYS A 41 2.495 -32.671 -22.299 1.00 51.12 H new ATOM 0 HE2 LYS A 41 4.819 -34.045 -20.892 1.00 52.41 H new ATOM 0 HE3 LYS A 41 3.403 -34.808 -21.588 1.00 52.41 H new ATOM 0 HZ1 LYS A 41 4.594 -35.045 -23.409 1.00 71.44 H new ATOM 0 HZ2 LYS A 41 4.490 -33.367 -23.645 1.00 71.44 H new ATOM 0 HZ3 LYS A 41 5.830 -34.030 -22.840 1.00 71.44 H new ATOM 676 N ASN A 42 8.420 -29.932 -22.403 1.00 51.34 N ATOM 677 CA ASN A 42 9.295 -29.842 -23.563 1.00 64.14 C ATOM 678 C ASN A 42 8.738 -28.841 -24.583 1.00 11.20 C ATOM 679 O ASN A 42 8.596 -29.158 -25.763 1.00 14.12 O ATOM 680 CB ASN A 42 9.540 -31.248 -24.140 1.00 5.51 C ATOM 681 CG ASN A 42 10.682 -31.272 -25.153 1.00 72.45 C ATOM 682 OD1 ASN A 42 10.456 -31.465 -26.345 1.00 0.40 O ATOM 683 ND2 ASN A 42 11.917 -31.090 -24.678 1.00 3.32 N ATOM 0 H ASN A 42 8.911 -29.788 -21.521 1.00 51.34 H new ATOM 0 HA ASN A 42 10.269 -29.452 -23.269 1.00 64.14 H new ATOM 0 HB2 ASN A 42 9.766 -31.937 -23.326 1.00 5.51 H new ATOM 0 HB3 ASN A 42 8.628 -31.606 -24.617 1.00 5.51 H new ATOM 0 HD21 ASN A 42 12.715 -31.108 -25.313 1.00 3.32 H new ATOM 0 HD22 ASN A 42 12.062 -30.933 -23.681 1.00 3.32 H new ATOM 690 N GLY A 43 8.399 -27.634 -24.109 1.00 61.15 N ATOM 691 CA GLY A 43 7.875 -26.553 -24.930 1.00 14.33 C ATOM 692 C GLY A 43 6.345 -26.563 -25.036 1.00 52.15 C ATOM 693 O GLY A 43 5.743 -25.492 -25.091 1.00 55.11 O ATOM 0 H GLY A 43 8.486 -27.385 -23.124 1.00 61.15 H new ATOM 0 HA2 GLY A 43 8.198 -25.599 -24.513 1.00 14.33 H new ATOM 0 HA3 GLY A 43 8.303 -26.625 -25.930 1.00 14.33 H new ATOM 697 N GLU A 44 5.712 -27.746 -25.083 1.00 24.25 N ATOM 698 CA GLU A 44 4.285 -27.866 -25.360 1.00 4.33 C ATOM 699 C GLU A 44 3.472 -27.491 -24.124 1.00 53.35 C ATOM 700 O GLU A 44 3.715 -28.025 -23.044 1.00 52.04 O ATOM 701 CB GLU A 44 3.949 -29.294 -25.815 1.00 21.15 C ATOM 702 CG GLU A 44 4.781 -29.761 -27.017 1.00 71.11 C ATOM 703 CD GLU A 44 4.676 -28.797 -28.198 1.00 74.12 C ATOM 704 OE1 GLU A 44 3.650 -28.876 -28.908 1.00 1.00 O ATOM 705 OE2 GLU A 44 5.617 -27.990 -28.364 1.00 14.50 O ATOM 0 H GLU A 44 6.180 -28.639 -24.930 1.00 24.25 H new ATOM 0 HA GLU A 44 4.026 -27.178 -26.165 1.00 4.33 H new ATOM 0 HB2 GLU A 44 4.109 -29.980 -24.983 1.00 21.15 H new ATOM 0 HB3 GLU A 44 2.891 -29.346 -26.072 1.00 21.15 H new ATOM 0 HG2 GLU A 44 5.825 -29.857 -26.719 1.00 71.11 H new ATOM 0 HG3 GLU A 44 4.446 -30.751 -27.327 1.00 71.11 H new ATOM 712 N ARG A 45 2.500 -26.583 -24.287 1.00 43.04 N ATOM 713 CA ARG A 45 1.657 -26.118 -23.197 1.00 3.10 C ATOM 714 C ARG A 45 0.757 -27.241 -22.687 1.00 41.44 C ATOM 715 O ARG A 45 0.216 -28.018 -23.473 1.00 14.55 O ATOM 716 CB ARG A 45 0.791 -24.935 -23.644 1.00 63.33 C ATOM 717 CG ARG A 45 1.633 -23.701 -23.988 1.00 20.52 C ATOM 718 CD ARG A 45 0.746 -22.465 -24.172 1.00 52.04 C ATOM 719 NE ARG A 45 -0.261 -22.669 -25.221 1.00 61.21 N ATOM 720 CZ ARG A 45 -1.287 -21.839 -25.474 1.00 62.52 C ATOM 721 NH1 ARG A 45 -1.419 -20.681 -24.810 1.00 62.32 N ATOM 722 NH2 ARG A 45 -2.191 -22.175 -26.404 1.00 42.21 N ATOM 0 H ARG A 45 2.282 -26.154 -25.186 1.00 43.04 H new ATOM 0 HA ARG A 45 2.314 -25.794 -22.389 1.00 3.10 H new ATOM 0 HB2 ARG A 45 0.202 -25.226 -24.514 1.00 63.33 H new ATOM 0 HB3 ARG A 45 0.086 -24.683 -22.852 1.00 63.33 H new ATOM 0 HG2 ARG A 45 2.358 -23.518 -23.195 1.00 20.52 H new ATOM 0 HG3 ARG A 45 2.199 -23.886 -24.901 1.00 20.52 H new ATOM 0 HD2 ARG A 45 0.248 -22.231 -23.231 1.00 52.04 H new ATOM 0 HD3 ARG A 45 1.367 -21.606 -24.426 1.00 52.04 H new ATOM 0 HE ARG A 45 -0.175 -23.503 -25.801 1.00 61.21 H new ATOM 0 HH11 ARG A 45 -0.734 -20.419 -24.101 1.00 62.32 H new ATOM 0 HH12 ARG A 45 -2.204 -20.062 -25.014 1.00 62.32 H new ATOM 0 HH21 ARG A 45 -2.097 -23.054 -26.913 1.00 42.21 H new ATOM 0 HH22 ARG A 45 -2.973 -21.552 -26.603 1.00 42.21 H new ATOM 736 N ILE A 46 0.575 -27.286 -21.363 1.00 64.33 N ATOM 737 CA ILE A 46 -0.401 -28.145 -20.717 1.00 12.01 C ATOM 738 C ILE A 46 -1.786 -27.525 -20.905 1.00 44.01 C ATOM 739 O ILE A 46 -2.023 -26.401 -20.467 1.00 62.25 O ATOM 740 CB ILE A 46 -0.042 -28.292 -19.228 1.00 43.22 C ATOM 741 CG1 ILE A 46 1.333 -28.952 -19.018 1.00 74.35 C ATOM 742 CG2 ILE A 46 -1.132 -29.053 -18.462 1.00 54.41 C ATOM 743 CD1 ILE A 46 1.482 -30.332 -19.663 1.00 73.32 C ATOM 0 H ILE A 46 1.112 -26.717 -20.709 1.00 64.33 H new ATOM 0 HA ILE A 46 -0.401 -29.141 -21.159 1.00 12.01 H new ATOM 0 HB ILE A 46 0.020 -27.282 -18.823 1.00 43.22 H new ATOM 0 HG12 ILE A 46 2.103 -28.293 -19.419 1.00 74.35 H new ATOM 0 HG13 ILE A 46 1.518 -29.044 -17.948 1.00 74.35 H new ATOM 0 HG21 ILE A 46 -0.847 -29.139 -17.413 1.00 54.41 H new ATOM 0 HG22 ILE A 46 -2.075 -28.512 -18.538 1.00 54.41 H new ATOM 0 HG23 ILE A 46 -1.249 -30.049 -18.889 1.00 54.41 H new ATOM 0 HD11 ILE A 46 2.481 -30.721 -19.464 1.00 73.32 H new ATOM 0 HD12 ILE A 46 0.739 -31.011 -19.245 1.00 73.32 H new ATOM 0 HD13 ILE A 46 1.333 -30.248 -20.740 1.00 73.32 H new ATOM 755 N GLU A 47 -2.693 -28.273 -21.546 1.00 11.12 N ATOM 756 CA GLU A 47 -4.091 -27.901 -21.710 1.00 21.33 C ATOM 757 C GLU A 47 -4.888 -28.338 -20.477 1.00 11.21 C ATOM 758 O GLU A 47 -5.685 -27.560 -19.956 1.00 4.43 O ATOM 759 CB GLU A 47 -4.629 -28.528 -23.002 1.00 73.35 C ATOM 760 CG GLU A 47 -6.035 -28.026 -23.349 1.00 35.40 C ATOM 761 CD GLU A 47 -6.517 -28.629 -24.666 1.00 53.14 C ATOM 762 OE1 GLU A 47 -6.361 -27.943 -25.700 1.00 20.45 O ATOM 763 OE2 GLU A 47 -7.025 -29.770 -24.616 1.00 32.42 O ATOM 0 H GLU A 47 -2.464 -29.171 -21.971 1.00 11.12 H new ATOM 0 HA GLU A 47 -4.193 -26.819 -21.796 1.00 21.33 H new ATOM 0 HB2 GLU A 47 -3.951 -28.300 -23.824 1.00 73.35 H new ATOM 0 HB3 GLU A 47 -4.648 -29.613 -22.896 1.00 73.35 H new ATOM 0 HG2 GLU A 47 -6.727 -28.288 -22.549 1.00 35.40 H new ATOM 0 HG3 GLU A 47 -6.030 -26.938 -23.422 1.00 35.40 H new ATOM 770 N LYS A 48 -4.656 -29.571 -20.000 1.00 41.04 N ATOM 771 CA LYS A 48 -5.268 -30.111 -18.791 1.00 43.15 C ATOM 772 C LYS A 48 -4.540 -29.558 -17.558 1.00 15.53 C ATOM 773 O LYS A 48 -3.803 -30.277 -16.884 1.00 13.34 O ATOM 774 CB LYS A 48 -5.243 -31.648 -18.848 1.00 3.00 C ATOM 775 CG LYS A 48 -6.106 -32.287 -17.748 1.00 4.05 C ATOM 776 CD LYS A 48 -5.784 -33.774 -17.550 1.00 40.04 C ATOM 777 CE LYS A 48 -6.031 -34.601 -18.817 1.00 33.24 C ATOM 778 NZ LYS A 48 -5.800 -36.035 -18.571 1.00 12.11 N ATOM 0 H LYS A 48 -4.024 -30.228 -20.458 1.00 41.04 H new ATOM 0 HA LYS A 48 -6.311 -29.803 -18.719 1.00 43.15 H new ATOM 0 HB2 LYS A 48 -5.599 -31.979 -19.824 1.00 3.00 H new ATOM 0 HB3 LYS A 48 -4.215 -31.996 -18.748 1.00 3.00 H new ATOM 0 HG2 LYS A 48 -5.949 -31.755 -16.810 1.00 4.05 H new ATOM 0 HG3 LYS A 48 -7.160 -32.176 -18.005 1.00 4.05 H new ATOM 0 HD2 LYS A 48 -4.742 -33.880 -17.248 1.00 40.04 H new ATOM 0 HD3 LYS A 48 -6.393 -34.169 -16.737 1.00 40.04 H new ATOM 0 HE2 LYS A 48 -7.054 -34.448 -19.160 1.00 33.24 H new ATOM 0 HE3 LYS A 48 -5.373 -34.255 -19.614 1.00 33.24 H new ATOM 0 HZ1 LYS A 48 -5.975 -36.570 -19.446 1.00 12.11 H new ATOM 0 HZ2 LYS A 48 -4.816 -36.181 -18.267 1.00 12.11 H new ATOM 0 HZ3 LYS A 48 -6.446 -36.368 -17.827 1.00 12.11 H new ATOM 792 N VAL A 49 -4.760 -28.271 -17.269 1.00 51.14 N ATOM 793 CA VAL A 49 -4.248 -27.595 -16.086 1.00 34.51 C ATOM 794 C VAL A 49 -5.222 -27.866 -14.937 1.00 25.40 C ATOM 795 O VAL A 49 -6.433 -27.771 -15.134 1.00 20.12 O ATOM 796 CB VAL A 49 -4.123 -26.084 -16.361 1.00 2.14 C ATOM 797 CG1 VAL A 49 -3.511 -25.365 -15.155 1.00 4.24 C ATOM 798 CG2 VAL A 49 -3.259 -25.791 -17.593 1.00 53.04 C ATOM 0 H VAL A 49 -5.314 -27.661 -17.870 1.00 51.14 H new ATOM 0 HA VAL A 49 -3.257 -27.965 -15.823 1.00 34.51 H new ATOM 0 HB VAL A 49 -5.133 -25.718 -16.547 1.00 2.14 H new ATOM 0 HG11 VAL A 49 -3.431 -24.299 -15.369 1.00 4.24 H new ATOM 0 HG12 VAL A 49 -4.147 -25.513 -14.282 1.00 4.24 H new ATOM 0 HG13 VAL A 49 -2.519 -25.770 -14.955 1.00 4.24 H new ATOM 0 HG21 VAL A 49 -3.199 -24.714 -17.748 1.00 53.04 H new ATOM 0 HG22 VAL A 49 -2.257 -26.191 -17.438 1.00 53.04 H new ATOM 0 HG23 VAL A 49 -3.705 -26.259 -18.470 1.00 53.04 H new ATOM 808 N GLU A 50 -4.701 -28.208 -13.751 1.00 51.11 N ATOM 809 CA GLU A 50 -5.505 -28.507 -12.572 1.00 42.34 C ATOM 810 C GLU A 50 -4.940 -27.752 -11.372 1.00 54.14 C ATOM 811 O GLU A 50 -3.760 -27.892 -11.058 1.00 11.13 O ATOM 812 CB GLU A 50 -5.518 -30.011 -12.294 1.00 13.52 C ATOM 813 CG GLU A 50 -6.038 -30.839 -13.474 1.00 13.02 C ATOM 814 CD GLU A 50 -6.050 -32.323 -13.121 1.00 24.15 C ATOM 815 OE1 GLU A 50 -7.088 -32.774 -12.588 1.00 65.22 O ATOM 816 OE2 GLU A 50 -5.017 -32.979 -13.378 1.00 4.24 O ATOM 0 H GLU A 50 -3.697 -28.284 -13.588 1.00 51.11 H new ATOM 0 HA GLU A 50 -6.532 -28.188 -12.751 1.00 42.34 H new ATOM 0 HB2 GLU A 50 -4.508 -30.337 -12.047 1.00 13.52 H new ATOM 0 HB3 GLU A 50 -6.139 -30.207 -11.420 1.00 13.52 H new ATOM 0 HG2 GLU A 50 -7.044 -30.514 -13.739 1.00 13.02 H new ATOM 0 HG3 GLU A 50 -5.409 -30.672 -14.348 1.00 13.02 H new ATOM 823 N HIS A 51 -5.792 -26.950 -10.722 1.00 42.55 N ATOM 824 CA HIS A 51 -5.440 -26.018 -9.655 1.00 4.20 C ATOM 825 C HIS A 51 -6.145 -26.400 -8.351 1.00 43.53 C ATOM 826 O HIS A 51 -6.830 -27.422 -8.296 1.00 5.55 O ATOM 827 CB HIS A 51 -5.802 -24.595 -10.100 1.00 55.14 C ATOM 828 CG HIS A 51 -7.282 -24.363 -10.283 1.00 35.42 C ATOM 829 ND1 HIS A 51 -8.059 -23.701 -9.343 1.00 12.00 N ATOM 830 CD2 HIS A 51 -8.147 -24.696 -11.297 1.00 73.52 C ATOM 831 CE1 HIS A 51 -9.316 -23.669 -9.818 1.00 1.31 C ATOM 832 NE2 HIS A 51 -9.436 -24.260 -11.008 1.00 11.35 N ATOM 0 H HIS A 51 -6.789 -26.936 -10.938 1.00 42.55 H new ATOM 0 HA HIS A 51 -4.368 -26.063 -9.462 1.00 4.20 H new ATOM 0 HB2 HIS A 51 -5.423 -23.888 -9.362 1.00 55.14 H new ATOM 0 HB3 HIS A 51 -5.293 -24.379 -11.039 1.00 55.14 H new ATOM 0 HD2 HIS A 51 -7.865 -25.224 -12.196 1.00 73.52 H new ATOM 0 HE1 HIS A 51 -10.142 -23.213 -9.292 1.00 1.31 H new ATOM 0 HE2 HIS A 51 -10.277 -24.367 -11.574 1.00 11.35 H new ATOM 840 N SER A 52 -6.002 -25.566 -7.309 1.00 3.13 N ATOM 841 CA SER A 52 -6.755 -25.718 -6.071 1.00 2.35 C ATOM 842 C SER A 52 -8.151 -25.109 -6.270 1.00 33.14 C ATOM 843 O SER A 52 -8.951 -25.670 -7.016 1.00 15.35 O ATOM 844 CB SER A 52 -5.963 -25.131 -4.893 1.00 60.33 C ATOM 845 OG SER A 52 -5.700 -23.754 -5.069 1.00 51.03 O ATOM 0 H SER A 52 -5.361 -24.772 -7.309 1.00 3.13 H new ATOM 0 HA SER A 52 -6.902 -26.768 -5.818 1.00 2.35 H new ATOM 0 HB2 SER A 52 -6.523 -25.278 -3.970 1.00 60.33 H new ATOM 0 HB3 SER A 52 -5.022 -25.669 -4.784 1.00 60.33 H new ATOM 0 HG SER A 52 -5.000 -23.472 -4.443 1.00 51.03 H new ATOM 851 N ASP A 53 -8.439 -23.964 -5.637 1.00 3.11 N ATOM 852 CA ASP A 53 -9.668 -23.210 -5.843 1.00 42.33 C ATOM 853 C ASP A 53 -9.449 -21.761 -5.392 1.00 40.44 C ATOM 854 O ASP A 53 -10.254 -21.210 -4.642 1.00 3.41 O ATOM 855 CB ASP A 53 -10.830 -23.901 -5.107 1.00 62.14 C ATOM 856 CG ASP A 53 -12.187 -23.287 -5.444 1.00 11.11 C ATOM 857 OD1 ASP A 53 -12.884 -22.882 -4.488 1.00 13.21 O ATOM 858 OD2 ASP A 53 -12.508 -23.240 -6.651 1.00 12.04 O ATOM 0 H ASP A 53 -7.810 -23.535 -4.958 1.00 3.11 H new ATOM 0 HA ASP A 53 -9.936 -23.185 -6.899 1.00 42.33 H new ATOM 0 HB2 ASP A 53 -10.840 -24.960 -5.365 1.00 62.14 H new ATOM 0 HB3 ASP A 53 -10.663 -23.837 -4.032 1.00 62.14 H new ATOM 863 N LEU A 54 -8.336 -21.160 -5.842 1.00 32.33 N ATOM 864 CA LEU A 54 -7.870 -19.839 -5.431 1.00 11.50 C ATOM 865 C LEU A 54 -7.907 -19.724 -3.902 1.00 24.30 C ATOM 866 O LEU A 54 -8.708 -18.982 -3.335 1.00 4.34 O ATOM 867 CB LEU A 54 -8.680 -18.747 -6.146 1.00 65.21 C ATOM 868 CG LEU A 54 -8.015 -17.374 -5.980 1.00 52.13 C ATOM 869 CD1 LEU A 54 -6.933 -17.153 -7.044 1.00 15.54 C ATOM 870 CD2 LEU A 54 -9.065 -16.261 -6.083 1.00 0.21 C ATOM 0 H LEU A 54 -7.720 -21.601 -6.525 1.00 32.33 H new ATOM 0 HA LEU A 54 -6.831 -19.697 -5.729 1.00 11.50 H new ATOM 0 HB2 LEU A 54 -8.766 -18.988 -7.206 1.00 65.21 H new ATOM 0 HB3 LEU A 54 -9.692 -18.716 -5.742 1.00 65.21 H new ATOM 0 HG LEU A 54 -7.548 -17.346 -4.996 1.00 52.13 H new ATOM 0 HD11 LEU A 54 -6.479 -16.172 -6.903 1.00 15.54 H new ATOM 0 HD12 LEU A 54 -6.168 -17.924 -6.951 1.00 15.54 H new ATOM 0 HD13 LEU A 54 -7.382 -17.205 -8.036 1.00 15.54 H new ATOM 0 HD21 LEU A 54 -8.581 -15.292 -5.964 1.00 0.21 H new ATOM 0 HD22 LEU A 54 -9.549 -16.307 -7.058 1.00 0.21 H new ATOM 0 HD23 LEU A 54 -9.812 -16.392 -5.300 1.00 0.21 H new ATOM 882 N SER A 55 -7.064 -20.519 -3.241 1.00 24.23 N ATOM 883 CA SER A 55 -7.201 -20.836 -1.826 1.00 2.30 C ATOM 884 C SER A 55 -6.652 -19.701 -0.964 1.00 5.01 C ATOM 885 O SER A 55 -5.543 -19.229 -1.196 1.00 14.21 O ATOM 886 CB SER A 55 -6.493 -22.158 -1.528 1.00 44.11 C ATOM 887 OG SER A 55 -6.936 -23.159 -2.417 1.00 42.01 O ATOM 0 H SER A 55 -6.259 -20.964 -3.682 1.00 24.23 H new ATOM 0 HA SER A 55 -8.257 -20.947 -1.581 1.00 2.30 H new ATOM 0 HB2 SER A 55 -5.414 -22.030 -1.621 1.00 44.11 H new ATOM 0 HB3 SER A 55 -6.691 -22.461 -0.500 1.00 44.11 H new ATOM 0 HG SER A 55 -6.424 -23.106 -3.251 1.00 42.01 H new ATOM 893 N PHE A 56 -7.443 -19.253 0.017 1.00 11.34 N ATOM 894 CA PHE A 56 -7.207 -18.023 0.760 1.00 53.12 C ATOM 895 C PHE A 56 -6.479 -18.328 2.072 1.00 41.02 C ATOM 896 O PHE A 56 -7.103 -18.770 3.036 1.00 4.20 O ATOM 897 CB PHE A 56 -8.554 -17.331 1.018 1.00 41.04 C ATOM 898 CG PHE A 56 -9.424 -17.170 -0.217 1.00 23.45 C ATOM 899 CD1 PHE A 56 -9.224 -16.085 -1.090 1.00 53.03 C ATOM 900 CD2 PHE A 56 -10.419 -18.124 -0.506 1.00 14.53 C ATOM 901 CE1 PHE A 56 -10.024 -15.948 -2.239 1.00 22.10 C ATOM 902 CE2 PHE A 56 -11.215 -17.989 -1.657 1.00 41.24 C ATOM 903 CZ PHE A 56 -11.019 -16.899 -2.522 1.00 4.32 C ATOM 0 H PHE A 56 -8.281 -19.750 0.318 1.00 11.34 H new ATOM 0 HA PHE A 56 -6.572 -17.354 0.180 1.00 53.12 H new ATOM 0 HB2 PHE A 56 -9.106 -17.903 1.764 1.00 41.04 H new ATOM 0 HB3 PHE A 56 -8.367 -16.346 1.446 1.00 41.04 H new ATOM 0 HD1 PHE A 56 -8.455 -15.356 -0.878 1.00 53.03 H new ATOM 0 HD2 PHE A 56 -10.571 -18.962 0.159 1.00 14.53 H new ATOM 0 HE1 PHE A 56 -9.873 -15.111 -2.904 1.00 22.10 H new ATOM 0 HE2 PHE A 56 -11.977 -18.723 -1.876 1.00 41.24 H new ATOM 0 HZ PHE A 56 -11.633 -16.792 -3.404 1.00 4.32 H new ATOM 913 N SER A 57 -5.163 -18.083 2.120 1.00 32.12 N ATOM 914 CA SER A 57 -4.369 -18.273 3.330 1.00 22.34 C ATOM 915 C SER A 57 -4.684 -17.214 4.388 1.00 62.13 C ATOM 916 O SER A 57 -5.169 -16.128 4.072 1.00 61.24 O ATOM 917 CB SER A 57 -2.873 -18.241 3.000 1.00 20.52 C ATOM 918 OG SER A 57 -2.514 -16.986 2.465 1.00 4.30 O ATOM 0 H SER A 57 -4.625 -17.749 1.321 1.00 32.12 H new ATOM 0 HA SER A 57 -4.631 -19.249 3.738 1.00 22.34 H new ATOM 0 HB2 SER A 57 -2.291 -18.440 3.900 1.00 20.52 H new ATOM 0 HB3 SER A 57 -2.635 -19.029 2.286 1.00 20.52 H new ATOM 0 HG SER A 57 -1.850 -17.111 1.755 1.00 4.30 H new ATOM 924 N LYS A 58 -4.353 -17.534 5.646 1.00 25.34 N ATOM 925 CA LYS A 58 -4.411 -16.610 6.772 1.00 42.34 C ATOM 926 C LYS A 58 -3.427 -15.449 6.589 1.00 44.15 C ATOM 927 O LYS A 58 -3.696 -14.338 7.041 1.00 72.31 O ATOM 928 CB LYS A 58 -4.155 -17.371 8.082 1.00 44.03 C ATOM 929 CG LYS A 58 -2.713 -17.896 8.197 1.00 12.23 C ATOM 930 CD LYS A 58 -2.483 -18.727 9.463 1.00 62.31 C ATOM 931 CE LYS A 58 -3.179 -20.091 9.405 1.00 1.31 C ATOM 932 NZ LYS A 58 -2.804 -20.925 10.558 1.00 71.42 N ATOM 0 H LYS A 58 -4.031 -18.465 5.909 1.00 25.34 H new ATOM 0 HA LYS A 58 -5.408 -16.173 6.818 1.00 42.34 H new ATOM 0 HB2 LYS A 58 -4.365 -16.713 8.925 1.00 44.03 H new ATOM 0 HB3 LYS A 58 -4.848 -18.209 8.151 1.00 44.03 H new ATOM 0 HG2 LYS A 58 -2.482 -18.504 7.322 1.00 12.23 H new ATOM 0 HG3 LYS A 58 -2.023 -17.053 8.191 1.00 12.23 H new ATOM 0 HD2 LYS A 58 -1.413 -18.875 9.607 1.00 62.31 H new ATOM 0 HD3 LYS A 58 -2.848 -18.173 10.328 1.00 62.31 H new ATOM 0 HE2 LYS A 58 -4.260 -19.951 9.389 1.00 1.31 H new ATOM 0 HE3 LYS A 58 -2.910 -20.601 8.480 1.00 1.31 H new ATOM 0 HZ1 LYS A 58 -3.289 -21.843 10.495 1.00 71.42 H new ATOM 0 HZ2 LYS A 58 -1.775 -21.076 10.557 1.00 71.42 H new ATOM 0 HZ3 LYS A 58 -3.083 -20.446 11.438 1.00 71.42 H new ATOM 946 N ASP A 59 -2.297 -15.710 5.917 1.00 2.51 N ATOM 947 CA ASP A 59 -1.292 -14.714 5.577 1.00 73.13 C ATOM 948 C ASP A 59 -1.865 -13.660 4.627 1.00 73.12 C ATOM 949 O ASP A 59 -1.436 -12.508 4.662 1.00 51.02 O ATOM 950 CB ASP A 59 -0.085 -15.401 4.928 1.00 62.34 C ATOM 951 CG ASP A 59 0.510 -16.480 5.831 1.00 32.34 C ATOM 952 OD1 ASP A 59 1.440 -16.138 6.592 1.00 75.52 O ATOM 953 OD2 ASP A 59 0.018 -17.627 5.744 1.00 41.22 O ATOM 0 H ASP A 59 -2.058 -16.646 5.590 1.00 2.51 H new ATOM 0 HA ASP A 59 -0.978 -14.213 6.493 1.00 73.13 H new ATOM 0 HB2 ASP A 59 -0.387 -15.847 3.980 1.00 62.34 H new ATOM 0 HB3 ASP A 59 0.678 -14.656 4.701 1.00 62.34 H new ATOM 958 N GLY A 60 -2.822 -14.060 3.777 1.00 72.43 N ATOM 959 CA GLY A 60 -3.461 -13.197 2.801 1.00 5.30 C ATOM 960 C GLY A 60 -2.772 -13.368 1.454 1.00 63.53 C ATOM 961 O GLY A 60 -2.048 -12.479 1.013 1.00 20.10 O ATOM 0 H GLY A 60 -3.174 -15.017 3.757 1.00 72.43 H new ATOM 0 HA2 GLY A 60 -4.519 -13.445 2.716 1.00 5.30 H new ATOM 0 HA3 GLY A 60 -3.402 -12.157 3.123 1.00 5.30 H new ATOM 965 N SER A 61 -2.999 -14.520 0.812 1.00 74.13 N ATOM 966 CA SER A 61 -2.508 -14.832 -0.522 1.00 1.54 C ATOM 967 C SER A 61 -3.250 -16.038 -1.096 1.00 62.31 C ATOM 968 O SER A 61 -3.899 -16.786 -0.364 1.00 72.14 O ATOM 969 CB SER A 61 -0.999 -15.083 -0.503 1.00 14.15 C ATOM 970 OG SER A 61 -0.668 -16.154 0.351 1.00 62.34 O ATOM 0 H SER A 61 -3.545 -15.277 1.223 1.00 74.13 H new ATOM 0 HA SER A 61 -2.698 -13.973 -1.165 1.00 1.54 H new ATOM 0 HB2 SER A 61 -0.652 -15.300 -1.513 1.00 14.15 H new ATOM 0 HB3 SER A 61 -0.482 -14.181 -0.175 1.00 14.15 H new ATOM 0 HG SER A 61 0.279 -16.097 0.595 1.00 62.34 H new ATOM 976 N PHE A 62 -3.158 -16.195 -2.421 1.00 22.23 N ATOM 977 CA PHE A 62 -4.003 -17.083 -3.204 1.00 73.11 C ATOM 978 C PHE A 62 -3.226 -18.334 -3.615 1.00 22.22 C ATOM 979 O PHE A 62 -2.815 -18.462 -4.767 1.00 33.51 O ATOM 980 CB PHE A 62 -4.531 -16.302 -4.410 1.00 31.43 C ATOM 981 CG PHE A 62 -5.174 -14.979 -4.039 1.00 45.32 C ATOM 982 CD1 PHE A 62 -6.456 -14.940 -3.459 1.00 44.04 C ATOM 983 CD2 PHE A 62 -4.417 -13.798 -4.126 1.00 72.31 C ATOM 984 CE1 PHE A 62 -7.002 -13.711 -3.046 1.00 52.22 C ATOM 985 CE2 PHE A 62 -4.960 -12.571 -3.715 1.00 44.31 C ATOM 986 CZ PHE A 62 -6.259 -12.526 -3.183 1.00 0.51 C ATOM 0 H PHE A 62 -2.474 -15.692 -2.986 1.00 22.23 H new ATOM 0 HA PHE A 62 -4.851 -17.428 -2.613 1.00 73.11 H new ATOM 0 HB2 PHE A 62 -3.709 -16.116 -5.101 1.00 31.43 H new ATOM 0 HB3 PHE A 62 -5.260 -16.916 -4.939 1.00 31.43 H new ATOM 0 HD1 PHE A 62 -7.020 -15.852 -3.331 1.00 44.04 H new ATOM 0 HD2 PHE A 62 -3.409 -13.835 -4.512 1.00 72.31 H new ATOM 0 HE1 PHE A 62 -7.995 -13.678 -2.622 1.00 52.22 H new ATOM 0 HE2 PHE A 62 -4.381 -11.664 -3.808 1.00 44.31 H new ATOM 0 HZ PHE A 62 -6.686 -11.582 -2.880 1.00 0.51 H new ATOM 996 N TYR A 63 -3.002 -19.248 -2.664 1.00 52.24 N ATOM 997 CA TYR A 63 -2.091 -20.368 -2.852 1.00 31.45 C ATOM 998 C TYR A 63 -2.669 -21.434 -3.784 1.00 71.33 C ATOM 999 O TYR A 63 -3.584 -22.170 -3.420 1.00 12.03 O ATOM 1000 CB TYR A 63 -1.611 -20.926 -1.505 1.00 12.01 C ATOM 1001 CG TYR A 63 -2.654 -21.595 -0.627 1.00 62.13 C ATOM 1002 CD1 TYR A 63 -2.820 -22.993 -0.665 1.00 20.43 C ATOM 1003 CD2 TYR A 63 -3.420 -20.830 0.269 1.00 44.24 C ATOM 1004 CE1 TYR A 63 -3.728 -23.623 0.203 1.00 5.15 C ATOM 1005 CE2 TYR A 63 -4.326 -21.460 1.142 1.00 45.01 C ATOM 1006 CZ TYR A 63 -4.471 -22.857 1.118 1.00 60.15 C ATOM 1007 OH TYR A 63 -5.340 -23.464 1.977 1.00 3.33 O ATOM 0 H TYR A 63 -3.449 -19.227 -1.747 1.00 52.24 H new ATOM 0 HA TYR A 63 -1.203 -19.994 -3.362 1.00 31.45 H new ATOM 0 HB2 TYR A 63 -0.818 -21.648 -1.700 1.00 12.01 H new ATOM 0 HB3 TYR A 63 -1.165 -20.108 -0.939 1.00 12.01 H new ATOM 0 HD1 TYR A 63 -2.247 -23.584 -1.364 1.00 20.43 H new ATOM 0 HD2 TYR A 63 -3.313 -19.755 0.288 1.00 44.24 H new ATOM 0 HE1 TYR A 63 -3.855 -24.695 0.167 1.00 5.15 H new ATOM 0 HE2 TYR A 63 -4.911 -20.869 1.831 1.00 45.01 H new ATOM 0 HH TYR A 63 -5.770 -22.787 2.540 1.00 3.33 H new ATOM 1017 N LEU A 64 -2.120 -21.507 -5.001 1.00 31.23 N ATOM 1018 CA LEU A 64 -2.521 -22.472 -6.014 1.00 13.33 C ATOM 1019 C LEU A 64 -1.566 -23.662 -6.008 1.00 73.11 C ATOM 1020 O LEU A 64 -0.556 -23.657 -5.305 1.00 11.42 O ATOM 1021 CB LEU A 64 -2.578 -21.778 -7.378 1.00 43.24 C ATOM 1022 CG LEU A 64 -3.742 -20.772 -7.416 1.00 12.40 C ATOM 1023 CD1 LEU A 64 -3.326 -19.535 -8.210 1.00 22.21 C ATOM 1024 CD2 LEU A 64 -4.996 -21.393 -8.035 1.00 21.42 C ATOM 0 H LEU A 64 -1.373 -20.884 -5.309 1.00 31.23 H new ATOM 0 HA LEU A 64 -3.516 -22.859 -5.794 1.00 13.33 H new ATOM 0 HB2 LEU A 64 -1.637 -21.263 -7.572 1.00 43.24 H new ATOM 0 HB3 LEU A 64 -2.704 -22.520 -8.166 1.00 43.24 H new ATOM 0 HG LEU A 64 -3.980 -20.487 -6.391 1.00 12.40 H new ATOM 0 HD11 LEU A 64 -4.152 -18.824 -8.235 1.00 22.21 H new ATOM 0 HD12 LEU A 64 -2.462 -19.071 -7.734 1.00 22.21 H new ATOM 0 HD13 LEU A 64 -3.067 -19.826 -9.228 1.00 22.21 H new ATOM 0 HD21 LEU A 64 -5.799 -20.656 -8.047 1.00 21.42 H new ATOM 0 HD22 LEU A 64 -4.779 -21.710 -9.055 1.00 21.42 H new ATOM 0 HD23 LEU A 64 -5.304 -22.256 -7.445 1.00 21.42 H new ATOM 1036 N LEU A 65 -1.918 -24.691 -6.783 1.00 22.34 N ATOM 1037 CA LEU A 65 -1.199 -25.950 -6.878 1.00 64.31 C ATOM 1038 C LEU A 65 -1.408 -26.453 -8.304 1.00 1.44 C ATOM 1039 O LEU A 65 -2.383 -27.150 -8.565 1.00 60.34 O ATOM 1040 CB LEU A 65 -1.771 -26.921 -5.828 1.00 72.53 C ATOM 1041 CG LEU A 65 -0.980 -28.235 -5.712 1.00 54.23 C ATOM 1042 CD1 LEU A 65 0.252 -28.054 -4.820 1.00 31.12 C ATOM 1043 CD2 LEU A 65 -1.863 -29.332 -5.104 1.00 13.04 C ATOM 0 H LEU A 65 -2.744 -24.662 -7.381 1.00 22.34 H new ATOM 0 HA LEU A 65 -0.132 -25.851 -6.679 1.00 64.31 H new ATOM 0 HB2 LEU A 65 -1.784 -26.427 -4.857 1.00 72.53 H new ATOM 0 HB3 LEU A 65 -2.806 -27.150 -6.082 1.00 72.53 H new ATOM 0 HG LEU A 65 -0.663 -28.521 -6.715 1.00 54.23 H new ATOM 0 HD11 LEU A 65 0.795 -28.997 -4.754 1.00 31.12 H new ATOM 0 HD12 LEU A 65 0.902 -27.291 -5.248 1.00 31.12 H new ATOM 0 HD13 LEU A 65 -0.063 -27.746 -3.823 1.00 31.12 H new ATOM 0 HD21 LEU A 65 -1.292 -30.257 -5.027 1.00 13.04 H new ATOM 0 HD22 LEU A 65 -2.193 -29.025 -4.111 1.00 13.04 H new ATOM 0 HD23 LEU A 65 -2.732 -29.494 -5.741 1.00 13.04 H new ATOM 1055 N TYR A 66 -0.535 -26.068 -9.243 1.00 4.24 N ATOM 1056 CA TYR A 66 -0.712 -26.416 -10.649 1.00 13.32 C ATOM 1057 C TYR A 66 -0.079 -27.776 -10.940 1.00 33.25 C ATOM 1058 O TYR A 66 1.102 -27.854 -11.282 1.00 13.53 O ATOM 1059 CB TYR A 66 -0.178 -25.305 -11.553 1.00 15.21 C ATOM 1060 CG TYR A 66 -0.999 -24.034 -11.480 1.00 41.12 C ATOM 1061 CD1 TYR A 66 -2.198 -23.948 -12.208 1.00 73.53 C ATOM 1062 CD2 TYR A 66 -0.593 -22.953 -10.677 1.00 14.11 C ATOM 1063 CE1 TYR A 66 -2.918 -22.744 -12.245 1.00 53.34 C ATOM 1064 CE2 TYR A 66 -1.321 -21.750 -10.703 1.00 14.42 C ATOM 1065 CZ TYR A 66 -2.453 -21.629 -11.529 1.00 21.45 C ATOM 1066 OH TYR A 66 -3.099 -20.432 -11.642 1.00 23.22 O ATOM 0 H TYR A 66 0.300 -25.515 -9.049 1.00 4.24 H new ATOM 0 HA TYR A 66 -1.776 -26.507 -10.868 1.00 13.32 H new ATOM 0 HB2 TYR A 66 0.852 -25.082 -11.275 1.00 15.21 H new ATOM 0 HB3 TYR A 66 -0.160 -25.660 -12.583 1.00 15.21 H new ATOM 0 HD1 TYR A 66 -2.567 -24.812 -12.741 1.00 73.53 H new ATOM 0 HD2 TYR A 66 0.276 -23.047 -10.042 1.00 14.11 H new ATOM 0 HE1 TYR A 66 -3.828 -22.675 -12.823 1.00 53.34 H new ATOM 0 HE2 TYR A 66 -1.011 -20.918 -10.088 1.00 14.42 H new ATOM 0 HH TYR A 66 -4.049 -20.589 -11.824 1.00 23.22 H new ATOM 1076 N TYR A 67 -0.880 -28.841 -10.786 1.00 41.32 N ATOM 1077 CA TYR A 67 -0.438 -30.224 -10.918 1.00 22.20 C ATOM 1078 C TYR A 67 -0.821 -30.814 -12.276 1.00 34.40 C ATOM 1079 O TYR A 67 -1.968 -31.202 -12.486 1.00 3.45 O ATOM 1080 CB TYR A 67 -0.950 -31.077 -9.741 1.00 54.14 C ATOM 1081 CG TYR A 67 -2.448 -31.087 -9.480 1.00 0.02 C ATOM 1082 CD1 TYR A 67 -3.273 -32.103 -10.001 1.00 55.22 C ATOM 1083 CD2 TYR A 67 -2.995 -30.157 -8.582 1.00 12.22 C ATOM 1084 CE1 TYR A 67 -4.652 -32.102 -9.729 1.00 3.22 C ATOM 1085 CE2 TYR A 67 -4.375 -30.131 -8.331 1.00 15.32 C ATOM 1086 CZ TYR A 67 -5.209 -31.102 -8.910 1.00 23.22 C ATOM 1087 OH TYR A 67 -6.551 -31.079 -8.666 1.00 20.14 O ATOM 0 H TYR A 67 -1.871 -28.756 -10.562 1.00 41.32 H new ATOM 0 HA TYR A 67 0.651 -30.235 -10.877 1.00 22.20 H new ATOM 0 HB2 TYR A 67 -0.631 -32.106 -9.908 1.00 54.14 H new ATOM 0 HB3 TYR A 67 -0.453 -30.732 -8.834 1.00 54.14 H new ATOM 0 HD1 TYR A 67 -2.845 -32.885 -10.611 1.00 55.22 H new ATOM 0 HD2 TYR A 67 -2.347 -29.454 -8.079 1.00 12.22 H new ATOM 0 HE1 TYR A 67 -5.285 -32.870 -10.149 1.00 3.22 H new ATOM 0 HE2 TYR A 67 -4.795 -29.366 -7.694 1.00 15.32 H new ATOM 0 HH TYR A 67 -6.764 -30.323 -8.080 1.00 20.14 H new ATOM 1097 N THR A 68 0.154 -30.915 -13.187 1.00 40.04 N ATOM 1098 CA THR A 68 0.012 -31.671 -14.424 1.00 63.14 C ATOM 1099 C THR A 68 0.478 -33.112 -14.196 1.00 23.35 C ATOM 1100 O THR A 68 1.445 -33.341 -13.470 1.00 0.11 O ATOM 1101 CB THR A 68 0.778 -30.987 -15.567 1.00 53.34 C ATOM 1102 OG1 THR A 68 0.487 -31.646 -16.782 1.00 63.15 O ATOM 1103 CG2 THR A 68 2.297 -30.964 -15.371 1.00 41.34 C ATOM 0 H THR A 68 1.066 -30.470 -13.081 1.00 40.04 H new ATOM 0 HA THR A 68 -1.037 -31.698 -14.720 1.00 63.14 H new ATOM 0 HB THR A 68 0.446 -29.949 -15.580 1.00 53.34 H new ATOM 0 HG1 THR A 68 1.323 -31.857 -17.248 1.00 63.15 H new ATOM 0 HG21 THR A 68 2.766 -30.465 -16.219 1.00 41.34 H new ATOM 0 HG22 THR A 68 2.537 -30.425 -14.455 1.00 41.34 H new ATOM 0 HG23 THR A 68 2.670 -31.986 -15.300 1.00 41.34 H new ATOM 1111 N GLU A 69 -0.203 -34.076 -14.827 1.00 44.13 N ATOM 1112 CA GLU A 69 0.154 -35.486 -14.774 1.00 22.41 C ATOM 1113 C GLU A 69 1.278 -35.753 -15.780 1.00 40.53 C ATOM 1114 O GLU A 69 1.013 -36.060 -16.942 1.00 33.22 O ATOM 1115 CB GLU A 69 -1.097 -36.327 -15.059 1.00 20.25 C ATOM 1116 CG GLU A 69 -0.828 -37.819 -14.832 1.00 22.43 C ATOM 1117 CD GLU A 69 -2.085 -38.655 -15.060 1.00 14.32 C ATOM 1118 OE1 GLU A 69 -2.657 -38.537 -16.166 1.00 54.14 O ATOM 1119 OE2 GLU A 69 -2.450 -39.404 -14.128 1.00 74.21 O ATOM 0 H GLU A 69 -1.029 -33.888 -15.395 1.00 44.13 H new ATOM 0 HA GLU A 69 0.522 -35.763 -13.786 1.00 22.41 H new ATOM 0 HB2 GLU A 69 -1.913 -36.000 -14.414 1.00 20.25 H new ATOM 0 HB3 GLU A 69 -1.420 -36.166 -16.088 1.00 20.25 H new ATOM 0 HG2 GLU A 69 -0.040 -38.154 -15.506 1.00 22.43 H new ATOM 0 HG3 GLU A 69 -0.466 -37.974 -13.816 1.00 22.43 H new ATOM 1126 N PHE A 70 2.532 -35.605 -15.336 1.00 5.03 N ATOM 1127 CA PHE A 70 3.710 -35.687 -16.180 1.00 13.32 C ATOM 1128 C PHE A 70 4.338 -37.084 -16.179 1.00 3.04 C ATOM 1129 O PHE A 70 4.652 -37.631 -15.124 1.00 34.21 O ATOM 1130 CB PHE A 70 4.730 -34.620 -15.767 1.00 5.13 C ATOM 1131 CG PHE A 70 5.584 -34.905 -14.546 1.00 51.35 C ATOM 1132 CD1 PHE A 70 6.841 -35.515 -14.704 1.00 2.01 C ATOM 1133 CD2 PHE A 70 5.114 -34.603 -13.258 1.00 62.45 C ATOM 1134 CE1 PHE A 70 7.585 -35.893 -13.577 1.00 23.14 C ATOM 1135 CE2 PHE A 70 5.886 -34.929 -12.128 1.00 1.53 C ATOM 1136 CZ PHE A 70 7.116 -35.589 -12.288 1.00 2.22 C ATOM 0 H PHE A 70 2.751 -35.421 -14.357 1.00 5.03 H new ATOM 0 HA PHE A 70 3.392 -35.495 -17.205 1.00 13.32 H new ATOM 0 HB2 PHE A 70 5.397 -34.447 -16.612 1.00 5.13 H new ATOM 0 HB3 PHE A 70 4.191 -33.689 -15.591 1.00 5.13 H new ATOM 0 HD1 PHE A 70 7.234 -35.693 -15.694 1.00 2.01 H new ATOM 0 HD2 PHE A 70 4.157 -34.119 -13.134 1.00 62.45 H new ATOM 0 HE1 PHE A 70 8.520 -36.419 -13.700 1.00 23.14 H new ATOM 0 HE2 PHE A 70 5.534 -34.673 -11.140 1.00 1.53 H new ATOM 0 HZ PHE A 70 7.700 -35.862 -11.422 1.00 2.22 H new ATOM 1146 N THR A 71 4.557 -37.634 -17.378 1.00 75.23 N ATOM 1147 CA THR A 71 5.326 -38.848 -17.606 1.00 22.24 C ATOM 1148 C THR A 71 6.718 -38.436 -18.103 1.00 4.35 C ATOM 1149 O THR A 71 6.821 -38.029 -19.259 1.00 33.22 O ATOM 1150 CB THR A 71 4.590 -39.693 -18.660 1.00 41.22 C ATOM 1151 OG1 THR A 71 3.305 -40.034 -18.182 1.00 33.31 O ATOM 1152 CG2 THR A 71 5.337 -40.991 -18.977 1.00 52.22 C ATOM 0 H THR A 71 4.190 -37.229 -18.239 1.00 75.23 H new ATOM 0 HA THR A 71 5.432 -39.439 -16.696 1.00 22.24 H new ATOM 0 HB THR A 71 4.527 -39.093 -19.568 1.00 41.22 H new ATOM 0 HG1 THR A 71 2.837 -40.571 -18.855 1.00 33.31 H new ATOM 0 HG21 THR A 71 4.782 -41.557 -19.726 1.00 52.22 H new ATOM 0 HG22 THR A 71 6.329 -40.755 -19.362 1.00 52.22 H new ATOM 0 HG23 THR A 71 5.432 -41.587 -18.069 1.00 52.22 H new ATOM 1160 N PRO A 72 7.787 -38.519 -17.289 1.00 4.33 N ATOM 1161 CA PRO A 72 9.130 -38.159 -17.720 1.00 14.23 C ATOM 1162 C PRO A 72 9.673 -39.256 -18.637 1.00 55.34 C ATOM 1163 O PRO A 72 10.348 -40.181 -18.188 1.00 51.41 O ATOM 1164 CB PRO A 72 9.937 -37.981 -16.431 1.00 72.14 C ATOM 1165 CG PRO A 72 9.277 -38.979 -15.482 1.00 34.50 C ATOM 1166 CD PRO A 72 7.804 -38.956 -15.902 1.00 73.13 C ATOM 0 HA PRO A 72 9.174 -37.239 -18.304 1.00 14.23 H new ATOM 0 HB2 PRO A 72 10.994 -38.203 -16.581 1.00 72.14 H new ATOM 0 HB3 PRO A 72 9.876 -36.961 -16.052 1.00 72.14 H new ATOM 0 HG2 PRO A 72 9.708 -39.975 -15.585 1.00 34.50 H new ATOM 0 HG3 PRO A 72 9.401 -38.684 -14.440 1.00 34.50 H new ATOM 0 HD2 PRO A 72 7.354 -39.943 -15.799 1.00 73.13 H new ATOM 0 HD3 PRO A 72 7.230 -38.277 -15.272 1.00 73.13 H new ATOM 1174 N THR A 73 9.333 -39.147 -19.928 1.00 72.43 N ATOM 1175 CA THR A 73 9.551 -40.167 -20.942 1.00 22.21 C ATOM 1176 C THR A 73 11.028 -40.550 -21.024 1.00 54.02 C ATOM 1177 O THR A 73 11.366 -41.720 -20.851 1.00 63.25 O ATOM 1178 CB THR A 73 9.015 -39.655 -22.289 1.00 21.24 C ATOM 1179 OG1 THR A 73 7.676 -39.230 -22.136 1.00 4.12 O ATOM 1180 CG2 THR A 73 9.066 -40.737 -23.372 1.00 65.12 C ATOM 0 H THR A 73 8.882 -38.312 -20.301 1.00 72.43 H new ATOM 0 HA THR A 73 9.009 -41.074 -20.673 1.00 22.21 H new ATOM 0 HB THR A 73 9.650 -38.826 -22.600 1.00 21.24 H new ATOM 0 HG1 THR A 73 7.337 -38.902 -22.995 1.00 4.12 H new ATOM 0 HG21 THR A 73 8.678 -40.334 -24.308 1.00 65.12 H new ATOM 0 HG22 THR A 73 10.097 -41.060 -23.516 1.00 65.12 H new ATOM 0 HG23 THR A 73 8.459 -41.588 -23.065 1.00 65.12 H new ATOM 1188 N GLU A 74 11.898 -39.563 -21.276 1.00 13.23 N ATOM 1189 CA GLU A 74 13.335 -39.768 -21.354 1.00 52.23 C ATOM 1190 C GLU A 74 14.066 -38.448 -21.122 1.00 24.23 C ATOM 1191 O GLU A 74 14.704 -38.274 -20.085 1.00 13.02 O ATOM 1192 CB GLU A 74 13.703 -40.419 -22.699 1.00 4.02 C ATOM 1193 CG GLU A 74 15.198 -40.752 -22.778 1.00 11.25 C ATOM 1194 CD GLU A 74 15.553 -41.365 -24.130 1.00 13.40 C ATOM 1195 OE1 GLU A 74 16.176 -40.643 -24.940 1.00 43.44 O ATOM 1196 OE2 GLU A 74 15.186 -42.543 -24.333 1.00 40.05 O ATOM 0 H GLU A 74 11.614 -38.596 -21.431 1.00 13.23 H new ATOM 0 HA GLU A 74 13.653 -40.453 -20.568 1.00 52.23 H new ATOM 0 HB2 GLU A 74 13.120 -41.330 -22.834 1.00 4.02 H new ATOM 0 HB3 GLU A 74 13.437 -39.746 -23.514 1.00 4.02 H new ATOM 0 HG2 GLU A 74 15.784 -39.847 -22.620 1.00 11.25 H new ATOM 0 HG3 GLU A 74 15.462 -41.446 -21.980 1.00 11.25 H new ATOM 1203 N LYS A 75 13.968 -37.530 -22.090 1.00 1.52 N ATOM 1204 CA LYS A 75 14.554 -36.197 -22.028 1.00 33.23 C ATOM 1205 C LYS A 75 13.466 -35.138 -22.213 1.00 72.44 C ATOM 1206 O LYS A 75 13.712 -34.075 -22.782 1.00 14.04 O ATOM 1207 CB LYS A 75 15.757 -36.080 -22.986 1.00 33.50 C ATOM 1208 CG LYS A 75 15.482 -36.078 -24.501 1.00 60.14 C ATOM 1209 CD LYS A 75 14.711 -37.312 -24.987 1.00 11.00 C ATOM 1210 CE LYS A 75 14.880 -37.557 -26.490 1.00 44.31 C ATOM 1211 NZ LYS A 75 16.187 -38.165 -26.798 1.00 1.33 N ATOM 0 H LYS A 75 13.464 -37.704 -22.960 1.00 1.52 H new ATOM 0 HA LYS A 75 14.974 -36.013 -21.039 1.00 33.23 H new ATOM 0 HB2 LYS A 75 16.288 -35.160 -22.743 1.00 33.50 H new ATOM 0 HB3 LYS A 75 16.435 -36.906 -22.772 1.00 33.50 H new ATOM 0 HG2 LYS A 75 14.917 -35.182 -24.758 1.00 60.14 H new ATOM 0 HG3 LYS A 75 16.431 -36.020 -25.034 1.00 60.14 H new ATOM 0 HD2 LYS A 75 15.054 -38.189 -24.439 1.00 11.00 H new ATOM 0 HD3 LYS A 75 13.652 -37.187 -24.760 1.00 11.00 H new ATOM 0 HE2 LYS A 75 14.082 -38.209 -26.845 1.00 44.31 H new ATOM 0 HE3 LYS A 75 14.782 -36.613 -27.026 1.00 44.31 H new ATOM 0 HZ1 LYS A 75 16.220 -38.425 -27.804 1.00 1.33 H new ATOM 0 HZ2 LYS A 75 16.944 -37.483 -26.591 1.00 1.33 H new ATOM 0 HZ3 LYS A 75 16.320 -39.016 -26.216 1.00 1.33 H new ATOM 1225 N ASP A 76 12.269 -35.426 -21.677 1.00 52.44 N ATOM 1226 CA ASP A 76 11.176 -34.467 -21.582 1.00 52.04 C ATOM 1227 C ASP A 76 11.417 -33.612 -20.335 1.00 34.21 C ATOM 1228 O ASP A 76 11.425 -34.144 -19.226 1.00 12.03 O ATOM 1229 CB ASP A 76 9.833 -35.213 -21.520 1.00 22.15 C ATOM 1230 CG ASP A 76 8.619 -34.286 -21.645 1.00 12.42 C ATOM 1231 OD1 ASP A 76 7.630 -34.737 -22.262 1.00 40.23 O ATOM 1232 OD2 ASP A 76 8.680 -33.153 -21.120 1.00 13.45 O ATOM 0 H ASP A 76 12.039 -36.344 -21.296 1.00 52.44 H new ATOM 0 HA ASP A 76 11.138 -33.819 -22.457 1.00 52.04 H new ATOM 0 HB2 ASP A 76 9.800 -35.954 -22.319 1.00 22.15 H new ATOM 0 HB3 ASP A 76 9.771 -35.757 -20.578 1.00 22.15 H new ATOM 1237 N GLU A 77 11.628 -32.302 -20.522 1.00 32.23 N ATOM 1238 CA GLU A 77 11.891 -31.364 -19.437 1.00 32.41 C ATOM 1239 C GLU A 77 10.601 -30.649 -19.033 1.00 24.14 C ATOM 1240 O GLU A 77 9.815 -30.257 -19.892 1.00 14.14 O ATOM 1241 CB GLU A 77 13.025 -30.400 -19.825 1.00 45.21 C ATOM 1242 CG GLU A 77 12.686 -29.371 -20.919 1.00 63.45 C ATOM 1243 CD GLU A 77 11.842 -28.193 -20.425 1.00 54.44 C ATOM 1244 OE1 GLU A 77 10.950 -27.769 -21.192 1.00 32.10 O ATOM 1245 OE2 GLU A 77 12.106 -27.730 -19.294 1.00 11.55 O ATOM 0 H GLU A 77 11.619 -31.865 -21.444 1.00 32.23 H new ATOM 0 HA GLU A 77 12.236 -31.906 -18.557 1.00 32.41 H new ATOM 0 HB2 GLU A 77 13.340 -29.861 -18.931 1.00 45.21 H new ATOM 0 HB3 GLU A 77 13.879 -30.989 -20.159 1.00 45.21 H new ATOM 0 HG2 GLU A 77 13.614 -28.987 -21.343 1.00 63.45 H new ATOM 0 HG3 GLU A 77 12.152 -29.875 -21.725 1.00 63.45 H new ATOM 1252 N TYR A 78 10.381 -30.503 -17.721 1.00 53.24 N ATOM 1253 CA TYR A 78 9.184 -29.890 -17.165 1.00 44.31 C ATOM 1254 C TYR A 78 9.528 -28.523 -16.590 1.00 43.21 C ATOM 1255 O TYR A 78 10.429 -28.405 -15.760 1.00 45.22 O ATOM 1256 CB TYR A 78 8.581 -30.827 -16.116 1.00 11.31 C ATOM 1257 CG TYR A 78 8.056 -32.091 -16.763 1.00 34.11 C ATOM 1258 CD1 TYR A 78 6.816 -32.048 -17.425 1.00 33.42 C ATOM 1259 CD2 TYR A 78 8.920 -33.181 -16.978 1.00 54.33 C ATOM 1260 CE1 TYR A 78 6.439 -33.092 -18.283 1.00 0.31 C ATOM 1261 CE2 TYR A 78 8.535 -34.232 -17.825 1.00 44.32 C ATOM 1262 CZ TYR A 78 7.283 -34.199 -18.462 1.00 15.01 C ATOM 1263 OH TYR A 78 6.865 -35.240 -19.236 1.00 35.25 O ATOM 0 H TYR A 78 11.044 -30.814 -17.011 1.00 53.24 H new ATOM 0 HA TYR A 78 8.436 -29.735 -17.943 1.00 44.31 H new ATOM 0 HB2 TYR A 78 9.336 -31.081 -15.372 1.00 11.31 H new ATOM 0 HB3 TYR A 78 7.772 -30.319 -15.590 1.00 11.31 H new ATOM 0 HD1 TYR A 78 6.153 -31.210 -17.273 1.00 33.42 H new ATOM 0 HD2 TYR A 78 9.883 -33.209 -16.489 1.00 54.33 H new ATOM 0 HE1 TYR A 78 5.496 -33.044 -18.808 1.00 0.31 H new ATOM 0 HE2 TYR A 78 9.201 -35.066 -17.987 1.00 44.32 H new ATOM 0 HH TYR A 78 7.268 -36.072 -18.911 1.00 35.25 H new ATOM 1273 N ALA A 79 8.808 -27.497 -17.059 1.00 23.41 N ATOM 1274 CA ALA A 79 9.067 -26.109 -16.732 1.00 62.22 C ATOM 1275 C ALA A 79 7.758 -25.402 -16.411 1.00 44.02 C ATOM 1276 O ALA A 79 6.924 -25.215 -17.297 1.00 54.22 O ATOM 1277 CB ALA A 79 9.776 -25.437 -17.910 1.00 73.35 C ATOM 0 H ALA A 79 8.015 -27.622 -17.688 1.00 23.41 H new ATOM 0 HA ALA A 79 9.711 -26.049 -15.854 1.00 62.22 H new ATOM 0 HB1 ALA A 79 9.973 -24.393 -17.668 1.00 73.35 H new ATOM 0 HB2 ALA A 79 10.719 -25.948 -18.107 1.00 73.35 H new ATOM 0 HB3 ALA A 79 9.142 -25.491 -18.795 1.00 73.35 H new ATOM 1283 N CYS A 80 7.597 -24.985 -15.149 1.00 60.44 N ATOM 1284 CA CYS A 80 6.478 -24.155 -14.743 1.00 33.40 C ATOM 1285 C CYS A 80 6.782 -22.715 -15.160 1.00 54.23 C ATOM 1286 O CYS A 80 7.731 -22.111 -14.669 1.00 41.04 O ATOM 1287 CB CYS A 80 6.156 -24.347 -13.252 1.00 14.20 C ATOM 1288 SG CYS A 80 4.393 -24.670 -12.965 1.00 21.20 S ATOM 0 H CYS A 80 8.240 -25.217 -14.392 1.00 60.44 H new ATOM 0 HA CYS A 80 5.558 -24.451 -15.248 1.00 33.40 H new ATOM 0 HB2 CYS A 80 6.744 -25.177 -12.859 1.00 14.20 H new ATOM 0 HB3 CYS A 80 6.454 -23.456 -12.700 1.00 14.20 H new ATOM 1293 N ARG A 81 6.007 -22.207 -16.125 1.00 31.30 N ATOM 1294 CA ARG A 81 6.214 -20.936 -16.801 1.00 22.31 C ATOM 1295 C ARG A 81 5.378 -19.903 -16.057 1.00 22.20 C ATOM 1296 O ARG A 81 4.225 -19.657 -16.409 1.00 34.14 O ATOM 1297 CB ARG A 81 5.800 -21.086 -18.273 1.00 2.11 C ATOM 1298 CG ARG A 81 5.878 -19.770 -19.056 1.00 0.31 C ATOM 1299 CD ARG A 81 5.460 -19.961 -20.516 1.00 33.42 C ATOM 1300 NE ARG A 81 5.030 -18.681 -21.095 1.00 21.44 N ATOM 1301 CZ ARG A 81 5.772 -17.853 -21.848 1.00 54.22 C ATOM 1302 NH1 ARG A 81 7.028 -18.163 -22.203 1.00 5.22 N ATOM 1303 NH2 ARG A 81 5.241 -16.691 -22.253 1.00 13.24 N ATOM 0 H ARG A 81 5.182 -22.700 -16.467 1.00 31.30 H new ATOM 0 HA ARG A 81 7.256 -20.618 -16.796 1.00 22.31 H new ATOM 0 HB2 ARG A 81 6.442 -21.825 -18.751 1.00 2.11 H new ATOM 0 HB3 ARG A 81 4.781 -21.470 -18.320 1.00 2.11 H new ATOM 0 HG2 ARG A 81 5.234 -19.027 -18.586 1.00 0.31 H new ATOM 0 HG3 ARG A 81 6.895 -19.381 -19.016 1.00 0.31 H new ATOM 0 HD2 ARG A 81 6.294 -20.366 -21.090 1.00 33.42 H new ATOM 0 HD3 ARG A 81 4.649 -20.686 -20.577 1.00 33.42 H new ATOM 0 HE ARG A 81 4.070 -18.392 -20.906 1.00 21.44 H new ATOM 0 HH11 ARG A 81 7.441 -19.045 -21.900 1.00 5.22 H new ATOM 0 HH12 ARG A 81 7.570 -17.516 -22.776 1.00 5.22 H new ATOM 0 HH21 ARG A 81 4.287 -16.447 -21.989 1.00 13.24 H new ATOM 0 HH22 ARG A 81 5.791 -16.051 -22.825 1.00 13.24 H new ATOM 1317 N VAL A 82 5.951 -19.344 -14.988 1.00 53.52 N ATOM 1318 CA VAL A 82 5.216 -18.513 -14.055 1.00 42.33 C ATOM 1319 C VAL A 82 5.317 -17.057 -14.507 1.00 53.02 C ATOM 1320 O VAL A 82 6.249 -16.348 -14.132 1.00 4.50 O ATOM 1321 CB VAL A 82 5.711 -18.767 -12.619 1.00 4.11 C ATOM 1322 CG1 VAL A 82 4.888 -17.950 -11.618 1.00 55.33 C ATOM 1323 CG2 VAL A 82 5.591 -20.253 -12.250 1.00 33.13 C ATOM 0 H VAL A 82 6.937 -19.460 -14.753 1.00 53.52 H new ATOM 0 HA VAL A 82 4.156 -18.767 -14.047 1.00 42.33 H new ATOM 0 HB VAL A 82 6.758 -18.466 -12.576 1.00 4.11 H new ATOM 0 HG11 VAL A 82 5.250 -18.141 -10.608 1.00 55.33 H new ATOM 0 HG12 VAL A 82 4.988 -16.889 -11.845 1.00 55.33 H new ATOM 0 HG13 VAL A 82 3.839 -18.239 -11.688 1.00 55.33 H new ATOM 0 HG21 VAL A 82 5.947 -20.405 -11.231 1.00 33.13 H new ATOM 0 HG22 VAL A 82 4.548 -20.562 -12.320 1.00 33.13 H new ATOM 0 HG23 VAL A 82 6.192 -20.848 -12.937 1.00 33.13 H new ATOM 1333 N ASN A 83 4.332 -16.622 -15.301 1.00 24.50 N ATOM 1334 CA ASN A 83 4.065 -15.217 -15.568 1.00 35.14 C ATOM 1335 C ASN A 83 3.121 -14.690 -14.482 1.00 24.31 C ATOM 1336 O ASN A 83 2.393 -15.457 -13.852 1.00 72.14 O ATOM 1337 CB ASN A 83 3.460 -15.051 -16.970 1.00 53.24 C ATOM 1338 CG ASN A 83 4.490 -15.283 -18.071 1.00 64.32 C ATOM 1339 OD1 ASN A 83 4.557 -16.368 -18.644 1.00 54.51 O ATOM 1340 ND2 ASN A 83 5.288 -14.257 -18.377 1.00 71.14 N ATOM 0 H ASN A 83 3.691 -17.253 -15.781 1.00 24.50 H new ATOM 0 HA ASN A 83 4.990 -14.642 -15.545 1.00 35.14 H new ATOM 0 HB2 ASN A 83 2.634 -15.752 -17.093 1.00 53.24 H new ATOM 0 HB3 ASN A 83 3.044 -14.048 -17.069 1.00 53.24 H new ATOM 0 HD21 ASN A 83 5.988 -14.357 -19.112 1.00 71.14 H new ATOM 0 HD22 ASN A 83 5.198 -13.373 -17.875 1.00 71.14 H new ATOM 1347 N HIS A 84 3.169 -13.375 -14.248 1.00 0.00 N ATOM 1348 CA HIS A 84 2.434 -12.682 -13.199 1.00 0.00 C ATOM 1349 C HIS A 84 2.525 -11.177 -13.475 1.00 0.00 C ATOM 1350 O HIS A 84 3.385 -10.746 -14.242 1.00 0.00 O ATOM 1351 CB HIS A 84 3.039 -13.043 -11.834 1.00 0.00 C ATOM 1352 CG HIS A 84 2.357 -12.401 -10.655 1.00 0.00 C ATOM 1353 ND1 HIS A 84 3.046 -11.531 -9.812 1.00 0.00 N ATOM 1354 CD2 HIS A 84 1.065 -12.511 -10.216 1.00 0.00 C ATOM 1355 CE1 HIS A 84 2.146 -11.150 -8.904 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.940 -11.701 -9.109 1.00 0.00 N ATOM 0 H HIS A 84 3.744 -12.745 -14.808 1.00 0.00 H new ATOM 0 HA HIS A 84 1.385 -12.979 -13.186 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.005 -14.126 -11.711 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.090 -12.755 -11.830 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.289 -13.119 -10.656 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.364 -10.472 -8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.097 -11.550 -8.555 1.00 0.00 H new ATOM 1364 N VAL A 85 1.643 -10.374 -12.863 1.00 42.01 N ATOM 1365 CA VAL A 85 1.560 -8.940 -13.121 1.00 72.33 C ATOM 1366 C VAL A 85 2.861 -8.204 -12.769 1.00 15.21 C ATOM 1367 O VAL A 85 3.265 -7.303 -13.503 1.00 61.25 O ATOM 1368 CB VAL A 85 0.321 -8.337 -12.433 1.00 1.32 C ATOM 1369 CG1 VAL A 85 0.423 -8.320 -10.903 1.00 63.43 C ATOM 1370 CG2 VAL A 85 0.058 -6.916 -12.944 1.00 14.02 C ATOM 0 H VAL A 85 0.968 -10.707 -12.175 1.00 42.01 H new ATOM 0 HA VAL A 85 1.435 -8.799 -14.195 1.00 72.33 H new ATOM 0 HB VAL A 85 -0.513 -8.989 -12.693 1.00 1.32 H new ATOM 0 HG11 VAL A 85 -0.483 -7.883 -10.483 1.00 63.43 H new ATOM 0 HG12 VAL A 85 0.538 -9.339 -10.535 1.00 63.43 H new ATOM 0 HG13 VAL A 85 1.286 -7.726 -10.602 1.00 63.43 H new ATOM 0 HG21 VAL A 85 -0.821 -6.507 -12.446 1.00 14.02 H new ATOM 0 HG22 VAL A 85 0.922 -6.287 -12.730 1.00 14.02 H new ATOM 0 HG23 VAL A 85 -0.114 -6.942 -14.020 1.00 14.02 H new ATOM 1380 N THR A 86 3.526 -8.587 -11.669 1.00 52.54 N ATOM 1381 CA THR A 86 4.802 -8.001 -11.267 1.00 23.32 C ATOM 1382 C THR A 86 5.889 -8.312 -12.298 1.00 13.13 C ATOM 1383 O THR A 86 6.713 -7.452 -12.606 1.00 3.13 O ATOM 1384 CB THR A 86 5.231 -8.507 -9.880 1.00 11.13 C ATOM 1385 OG1 THR A 86 5.388 -9.910 -9.876 1.00 41.21 O ATOM 1386 CG2 THR A 86 4.243 -8.088 -8.788 1.00 75.44 C ATOM 0 H THR A 86 3.189 -9.313 -11.036 1.00 52.54 H new ATOM 0 HA THR A 86 4.668 -6.921 -11.213 1.00 23.32 H new ATOM 0 HB THR A 86 6.193 -8.044 -9.660 1.00 11.13 H new ATOM 0 HG1 THR A 86 4.507 -10.338 -9.852 1.00 41.21 H new ATOM 0 HG21 THR A 86 4.584 -8.466 -7.824 1.00 75.44 H new ATOM 0 HG22 THR A 86 4.182 -7.000 -8.750 1.00 75.44 H new ATOM 0 HG23 THR A 86 3.258 -8.499 -9.011 1.00 75.44 H new ATOM 1394 N LEU A 87 5.894 -9.546 -12.811 1.00 53.22 N ATOM 1395 CA LEU A 87 6.910 -10.030 -13.727 1.00 61.14 C ATOM 1396 C LEU A 87 6.651 -9.484 -15.129 1.00 60.22 C ATOM 1397 O LEU A 87 5.518 -9.498 -15.605 1.00 21.54 O ATOM 1398 CB LEU A 87 6.896 -11.564 -13.762 1.00 53.42 C ATOM 1399 CG LEU A 87 7.026 -12.237 -12.387 1.00 1.33 C ATOM 1400 CD1 LEU A 87 6.837 -13.744 -12.574 1.00 21.10 C ATOM 1401 CD2 LEU A 87 8.389 -11.950 -11.751 1.00 25.44 C ATOM 0 H LEU A 87 5.179 -10.240 -12.593 1.00 53.22 H new ATOM 0 HA LEU A 87 7.886 -9.687 -13.383 1.00 61.14 H new ATOM 0 HB2 LEU A 87 5.968 -11.895 -14.227 1.00 53.42 H new ATOM 0 HB3 LEU A 87 7.712 -11.907 -14.398 1.00 53.42 H new ATOM 0 HG LEU A 87 6.266 -11.837 -11.716 1.00 1.33 H new ATOM 0 HD11 LEU A 87 6.925 -14.244 -11.610 1.00 21.10 H new ATOM 0 HD12 LEU A 87 5.850 -13.938 -12.994 1.00 21.10 H new ATOM 0 HD13 LEU A 87 7.601 -14.125 -13.252 1.00 21.10 H new ATOM 0 HD21 LEU A 87 8.448 -12.441 -10.779 1.00 25.44 H new ATOM 0 HD22 LEU A 87 9.180 -12.330 -12.398 1.00 25.44 H new ATOM 0 HD23 LEU A 87 8.511 -10.875 -11.622 1.00 25.44 H new ATOM 1413 N SER A 88 7.717 -9.046 -15.805 1.00 32.35 N ATOM 1414 CA SER A 88 7.683 -8.758 -17.230 1.00 31.12 C ATOM 1415 C SER A 88 7.915 -10.060 -18.000 1.00 34.41 C ATOM 1416 O SER A 88 7.176 -10.370 -18.933 1.00 40.12 O ATOM 1417 CB SER A 88 8.741 -7.702 -17.571 1.00 71.21 C ATOM 1418 OG SER A 88 8.737 -7.435 -18.958 1.00 1.40 O ATOM 0 H SER A 88 8.626 -8.883 -15.373 1.00 32.35 H new ATOM 0 HA SER A 88 6.712 -8.354 -17.516 1.00 31.12 H new ATOM 0 HB2 SER A 88 8.541 -6.785 -17.017 1.00 71.21 H new ATOM 0 HB3 SER A 88 9.726 -8.052 -17.264 1.00 71.21 H new ATOM 0 HG SER A 88 9.416 -6.758 -19.163 1.00 1.40 H new ATOM 1424 N GLN A 89 8.952 -10.809 -17.604 1.00 21.31 N ATOM 1425 CA GLN A 89 9.412 -12.014 -18.280 1.00 14.52 C ATOM 1426 C GLN A 89 8.835 -13.264 -17.603 1.00 34.31 C ATOM 1427 O GLN A 89 8.550 -13.232 -16.407 1.00 33.52 O ATOM 1428 CB GLN A 89 10.947 -12.053 -18.237 1.00 13.44 C ATOM 1429 CG GLN A 89 11.564 -10.898 -19.034 1.00 12.32 C ATOM 1430 CD GLN A 89 13.083 -11.028 -19.101 1.00 2.41 C ATOM 1431 OE1 GLN A 89 13.644 -11.260 -20.170 1.00 53.41 O ATOM 1432 NE2 GLN A 89 13.753 -10.882 -17.955 1.00 72.22 N ATOM 0 H GLN A 89 9.506 -10.580 -16.779 1.00 21.31 H new ATOM 0 HA GLN A 89 9.071 -12.000 -19.315 1.00 14.52 H new ATOM 0 HB2 GLN A 89 11.284 -12.002 -17.202 1.00 13.44 H new ATOM 0 HB3 GLN A 89 11.299 -13.003 -18.640 1.00 13.44 H new ATOM 0 HG2 GLN A 89 11.152 -10.887 -20.043 1.00 12.32 H new ATOM 0 HG3 GLN A 89 11.297 -9.948 -18.570 1.00 12.32 H new ATOM 0 HE21 GLN A 89 13.248 -10.690 -17.090 1.00 72.22 H new ATOM 0 HE22 GLN A 89 14.770 -10.962 -17.945 1.00 72.22 H new ATOM 1441 N PRO A 90 8.690 -14.379 -18.338 1.00 12.13 N ATOM 1442 CA PRO A 90 8.289 -15.656 -17.771 1.00 54.53 C ATOM 1443 C PRO A 90 9.399 -16.190 -16.869 1.00 12.44 C ATOM 1444 O PRO A 90 10.550 -16.287 -17.295 1.00 52.32 O ATOM 1445 CB PRO A 90 8.072 -16.582 -18.972 1.00 14.33 C ATOM 1446 CG PRO A 90 9.002 -16.011 -20.040 1.00 45.41 C ATOM 1447 CD PRO A 90 8.952 -14.510 -19.763 1.00 52.05 C ATOM 0 HA PRO A 90 7.389 -15.577 -17.161 1.00 54.53 H new ATOM 0 HB2 PRO A 90 8.324 -17.615 -18.732 1.00 14.33 H new ATOM 0 HB3 PRO A 90 7.033 -16.575 -19.301 1.00 14.33 H new ATOM 0 HG2 PRO A 90 10.014 -16.406 -19.949 1.00 45.41 H new ATOM 0 HG3 PRO A 90 8.657 -16.249 -21.046 1.00 45.41 H new ATOM 0 HD2 PRO A 90 9.893 -14.031 -20.033 1.00 52.05 H new ATOM 0 HD3 PRO A 90 8.169 -14.030 -20.350 1.00 52.05 H new ATOM 1455 N LYS A 91 9.049 -16.567 -15.634 1.00 44.23 N ATOM 1456 CA LYS A 91 9.939 -17.331 -14.779 1.00 4.03 C ATOM 1457 C LYS A 91 9.850 -18.781 -15.242 1.00 15.00 C ATOM 1458 O LYS A 91 8.997 -19.529 -14.771 1.00 14.24 O ATOM 1459 CB LYS A 91 9.531 -17.173 -13.308 1.00 71.43 C ATOM 1460 CG LYS A 91 9.883 -15.795 -12.736 1.00 14.03 C ATOM 1461 CD LYS A 91 11.366 -15.685 -12.368 1.00 63.33 C ATOM 1462 CE LYS A 91 11.646 -14.326 -11.721 1.00 62.52 C ATOM 1463 NZ LYS A 91 13.062 -14.192 -11.343 1.00 21.11 N ATOM 0 H LYS A 91 8.147 -16.349 -15.210 1.00 44.23 H new ATOM 0 HA LYS A 91 10.968 -16.978 -14.851 1.00 4.03 H new ATOM 0 HB2 LYS A 91 8.457 -17.336 -13.214 1.00 71.43 H new ATOM 0 HB3 LYS A 91 10.023 -17.944 -12.715 1.00 71.43 H new ATOM 0 HG2 LYS A 91 9.633 -15.025 -13.466 1.00 14.03 H new ATOM 0 HG3 LYS A 91 9.275 -15.604 -11.851 1.00 14.03 H new ATOM 0 HD2 LYS A 91 11.639 -16.487 -11.682 1.00 63.33 H new ATOM 0 HD3 LYS A 91 11.980 -15.806 -13.260 1.00 63.33 H new ATOM 0 HE2 LYS A 91 11.376 -13.529 -12.414 1.00 62.52 H new ATOM 0 HE3 LYS A 91 11.019 -14.206 -10.837 1.00 62.52 H new ATOM 0 HZ1 LYS A 91 13.218 -13.261 -10.908 1.00 21.11 H new ATOM 0 HZ2 LYS A 91 13.312 -14.938 -10.663 1.00 21.11 H new ATOM 0 HZ3 LYS A 91 13.658 -14.282 -12.191 1.00 21.11 H new ATOM 1477 N ILE A 92 10.721 -19.154 -16.188 1.00 41.43 N ATOM 1478 CA ILE A 92 10.842 -20.511 -16.693 1.00 72.24 C ATOM 1479 C ILE A 92 11.527 -21.331 -15.600 1.00 3.40 C ATOM 1480 O ILE A 92 12.755 -21.406 -15.557 1.00 15.44 O ATOM 1481 CB ILE A 92 11.636 -20.521 -18.019 1.00 33.11 C ATOM 1482 CG1 ILE A 92 11.024 -19.614 -19.105 1.00 44.03 C ATOM 1483 CG2 ILE A 92 11.795 -21.949 -18.562 1.00 65.43 C ATOM 1484 CD1 ILE A 92 9.682 -20.105 -19.656 1.00 22.12 C ATOM 0 H ILE A 92 11.371 -18.502 -16.627 1.00 41.43 H new ATOM 0 HA ILE A 92 9.868 -20.944 -16.920 1.00 72.24 H new ATOM 0 HB ILE A 92 12.617 -20.114 -17.776 1.00 33.11 H new ATOM 0 HG12 ILE A 92 10.890 -18.614 -18.693 1.00 44.03 H new ATOM 0 HG13 ILE A 92 11.732 -19.527 -19.930 1.00 44.03 H new ATOM 0 HG21 ILE A 92 12.358 -21.923 -19.495 1.00 65.43 H new ATOM 0 HG22 ILE A 92 12.329 -22.558 -17.833 1.00 65.43 H new ATOM 0 HG23 ILE A 92 10.811 -22.381 -18.744 1.00 65.43 H new ATOM 0 HD11 ILE A 92 9.323 -19.409 -20.414 1.00 22.12 H new ATOM 0 HD12 ILE A 92 9.811 -21.092 -20.101 1.00 22.12 H new ATOM 0 HD13 ILE A 92 8.956 -20.165 -18.845 1.00 22.12 H new ATOM 1496 N VAL A 93 10.732 -21.936 -14.708 1.00 4.24 N ATOM 1497 CA VAL A 93 11.255 -22.810 -13.668 1.00 55.01 C ATOM 1498 C VAL A 93 11.762 -24.089 -14.334 1.00 61.12 C ATOM 1499 O VAL A 93 11.394 -24.391 -15.467 1.00 4.44 O ATOM 1500 CB VAL A 93 10.186 -23.086 -12.590 1.00 62.34 C ATOM 1501 CG1 VAL A 93 10.758 -23.925 -11.435 1.00 2.14 C ATOM 1502 CG2 VAL A 93 9.665 -21.770 -12.001 1.00 42.32 C ATOM 0 H VAL A 93 9.718 -21.830 -14.692 1.00 4.24 H new ATOM 0 HA VAL A 93 12.085 -22.332 -13.148 1.00 55.01 H new ATOM 0 HB VAL A 93 9.379 -23.634 -13.076 1.00 62.34 H new ATOM 0 HG11 VAL A 93 9.979 -24.101 -10.693 1.00 2.14 H new ATOM 0 HG12 VAL A 93 11.115 -24.880 -11.821 1.00 2.14 H new ATOM 0 HG13 VAL A 93 11.586 -23.389 -10.971 1.00 2.14 H new ATOM 0 HG21 VAL A 93 8.912 -21.984 -11.242 1.00 42.32 H new ATOM 0 HG22 VAL A 93 10.491 -21.222 -11.548 1.00 42.32 H new ATOM 0 HG23 VAL A 93 9.221 -21.167 -12.793 1.00 42.32 H new ATOM 1512 N LYS A 94 12.633 -24.822 -13.638 1.00 71.22 N ATOM 1513 CA LYS A 94 13.100 -26.130 -14.053 1.00 12.44 C ATOM 1514 C LYS A 94 12.810 -27.083 -12.903 1.00 12.20 C ATOM 1515 O LYS A 94 13.434 -26.970 -11.850 1.00 12.24 O ATOM 1516 CB LYS A 94 14.595 -26.075 -14.389 1.00 12.44 C ATOM 1517 CG LYS A 94 14.860 -25.070 -15.516 1.00 3.12 C ATOM 1518 CD LYS A 94 16.330 -25.115 -15.937 1.00 22.25 C ATOM 1519 CE LYS A 94 16.591 -24.067 -17.022 1.00 21.34 C ATOM 1520 NZ LYS A 94 18.000 -24.073 -17.447 1.00 54.44 N ATOM 0 H LYS A 94 13.036 -24.510 -12.755 1.00 71.22 H new ATOM 0 HA LYS A 94 12.593 -26.472 -14.955 1.00 12.44 H new ATOM 0 HB2 LYS A 94 15.162 -25.792 -13.502 1.00 12.44 H new ATOM 0 HB3 LYS A 94 14.942 -27.064 -14.688 1.00 12.44 H new ATOM 0 HG2 LYS A 94 14.223 -25.297 -16.371 1.00 3.12 H new ATOM 0 HG3 LYS A 94 14.601 -24.065 -15.184 1.00 3.12 H new ATOM 0 HD2 LYS A 94 16.970 -24.927 -15.075 1.00 22.25 H new ATOM 0 HD3 LYS A 94 16.581 -26.108 -16.310 1.00 22.25 H new ATOM 0 HE2 LYS A 94 15.949 -24.263 -17.881 1.00 21.34 H new ATOM 0 HE3 LYS A 94 16.327 -23.078 -16.646 1.00 21.34 H new ATOM 0 HZ1 LYS A 94 18.144 -23.352 -18.183 1.00 54.44 H new ATOM 0 HZ2 LYS A 94 18.610 -23.862 -16.631 1.00 54.44 H new ATOM 0 HZ3 LYS A 94 18.244 -25.010 -17.828 1.00 54.44 H new ATOM 1534 N TRP A 95 11.840 -27.985 -13.106 1.00 22.34 N ATOM 1535 CA TRP A 95 11.440 -28.998 -12.142 1.00 52.13 C ATOM 1536 C TRP A 95 12.672 -29.730 -11.607 1.00 63.14 C ATOM 1537 O TRP A 95 13.291 -30.516 -12.325 1.00 65.12 O ATOM 1538 CB TRP A 95 10.489 -29.998 -12.811 1.00 31.34 C ATOM 1539 CG TRP A 95 10.267 -31.274 -12.056 1.00 33.31 C ATOM 1540 CD1 TRP A 95 9.936 -31.379 -10.751 1.00 60.42 C ATOM 1541 CD2 TRP A 95 10.476 -32.639 -12.521 1.00 52.42 C ATOM 1542 NE1 TRP A 95 9.914 -32.705 -10.377 1.00 42.43 N ATOM 1543 CE2 TRP A 95 10.246 -33.529 -11.434 1.00 20.40 C ATOM 1544 CE3 TRP A 95 10.871 -33.208 -13.749 1.00 22.24 C ATOM 1545 CZ2 TRP A 95 10.396 -34.919 -11.562 1.00 43.04 C ATOM 1546 CZ3 TRP A 95 11.014 -34.600 -13.893 1.00 51.03 C ATOM 1547 CH2 TRP A 95 10.788 -35.454 -12.800 1.00 53.52 C ATOM 0 H TRP A 95 11.302 -28.024 -13.972 1.00 22.34 H new ATOM 0 HA TRP A 95 10.928 -28.515 -11.309 1.00 52.13 H new ATOM 0 HB2 TRP A 95 9.525 -29.512 -12.962 1.00 31.34 H new ATOM 0 HB3 TRP A 95 10.881 -30.243 -13.798 1.00 31.34 H new ATOM 0 HD1 TRP A 95 9.720 -30.547 -10.097 1.00 60.42 H new ATOM 0 HE1 TRP A 95 9.682 -33.035 -9.440 1.00 42.43 H new ATOM 0 HE3 TRP A 95 11.067 -32.564 -14.594 1.00 22.24 H new ATOM 0 HZ2 TRP A 95 10.212 -35.569 -10.719 1.00 43.04 H new ATOM 0 HZ3 TRP A 95 11.299 -35.015 -14.849 1.00 51.03 H new ATOM 0 HH2 TRP A 95 10.916 -36.521 -12.912 1.00 53.52 H new ATOM 1558 N ASP A 96 13.015 -29.466 -10.342 1.00 1.40 N ATOM 1559 CA ASP A 96 14.142 -30.093 -9.679 1.00 62.23 C ATOM 1560 C ASP A 96 13.695 -31.441 -9.121 1.00 61.41 C ATOM 1561 O ASP A 96 13.207 -31.525 -7.995 1.00 5.01 O ATOM 1562 CB ASP A 96 14.720 -29.159 -8.611 1.00 73.42 C ATOM 1563 CG ASP A 96 15.304 -27.897 -9.244 1.00 0.15 C ATOM 1564 OD1 ASP A 96 14.771 -26.806 -8.946 1.00 73.34 O ATOM 1565 OD2 ASP A 96 16.268 -28.046 -10.028 1.00 0.55 O ATOM 0 H ASP A 96 12.509 -28.805 -9.753 1.00 1.40 H new ATOM 0 HA ASP A 96 14.951 -30.278 -10.386 1.00 62.23 H new ATOM 0 HB2 ASP A 96 13.939 -28.886 -7.901 1.00 73.42 H new ATOM 0 HB3 ASP A 96 15.495 -29.680 -8.048 1.00 73.42 H new ATOM 1570 N ARG A 97 13.856 -32.489 -9.939 1.00 63.34 N ATOM 1571 CA ARG A 97 13.475 -33.854 -9.617 1.00 24.50 C ATOM 1572 C ARG A 97 14.069 -34.344 -8.295 1.00 52.45 C ATOM 1573 O ARG A 97 13.360 -34.985 -7.520 1.00 42.13 O ATOM 1574 CB ARG A 97 13.756 -34.802 -10.795 1.00 31.35 C ATOM 1575 CG ARG A 97 15.220 -35.037 -11.209 1.00 21.22 C ATOM 1576 CD ARG A 97 15.858 -33.879 -11.990 1.00 3.22 C ATOM 1577 NE ARG A 97 16.559 -32.939 -11.107 1.00 11.31 N ATOM 1578 CZ ARG A 97 16.927 -31.686 -11.422 1.00 44.44 C ATOM 1579 NH1 ARG A 97 16.643 -31.155 -12.621 1.00 12.24 N ATOM 1580 NH2 ARG A 97 17.582 -30.951 -10.514 1.00 52.21 N ATOM 0 H ARG A 97 14.268 -32.399 -10.868 1.00 63.34 H new ATOM 0 HA ARG A 97 12.397 -33.857 -9.457 1.00 24.50 H new ATOM 0 HB2 ARG A 97 13.319 -35.771 -10.554 1.00 31.35 H new ATOM 0 HB3 ARG A 97 13.222 -34.419 -11.665 1.00 31.35 H new ATOM 0 HG2 ARG A 97 15.812 -35.223 -10.313 1.00 21.22 H new ATOM 0 HG3 ARG A 97 15.271 -35.940 -11.818 1.00 21.22 H new ATOM 0 HD2 ARG A 97 16.559 -34.279 -12.723 1.00 3.22 H new ATOM 0 HD3 ARG A 97 15.085 -33.347 -12.545 1.00 3.22 H new ATOM 0 HE ARG A 97 16.788 -33.267 -10.169 1.00 11.31 H new ATOM 0 HH11 ARG A 97 16.138 -31.705 -13.316 1.00 12.24 H new ATOM 0 HH12 ARG A 97 16.933 -30.201 -12.838 1.00 12.24 H new ATOM 0 HH21 ARG A 97 17.795 -31.344 -9.597 1.00 52.21 H new ATOM 0 HH22 ARG A 97 17.868 -29.998 -10.739 1.00 52.21 H new ATOM 1594 N ASP A 98 15.339 -34.018 -8.013 1.00 15.33 N ATOM 1595 CA ASP A 98 15.997 -34.356 -6.756 1.00 11.01 C ATOM 1596 C ASP A 98 15.760 -33.259 -5.711 1.00 62.24 C ATOM 1597 O ASP A 98 16.708 -32.724 -5.139 1.00 73.21 O ATOM 1598 CB ASP A 98 17.483 -34.671 -6.998 1.00 62.43 C ATOM 1599 CG ASP A 98 18.288 -33.488 -7.535 1.00 5.44 C ATOM 1600 OD1 ASP A 98 18.064 -33.139 -8.713 1.00 52.21 O ATOM 1601 OD2 ASP A 98 19.125 -32.964 -6.770 1.00 54.51 O ATOM 0 H ASP A 98 15.938 -33.508 -8.662 1.00 15.33 H new ATOM 0 HA ASP A 98 15.556 -35.263 -6.343 1.00 11.01 H new ATOM 0 HB2 ASP A 98 17.930 -35.007 -6.062 1.00 62.43 H new ATOM 0 HB3 ASP A 98 17.559 -35.499 -7.703 1.00 62.43 H new ATOM 1606 N MET A 99 14.478 -32.965 -5.449 1.00 15.52 N ATOM 1607 CA MET A 99 13.984 -32.035 -4.438 1.00 63.24 C ATOM 1608 C MET A 99 14.243 -30.580 -4.838 1.00 23.43 C ATOM 1609 O MET A 99 15.421 -30.164 -4.796 1.00 61.22 O ATOM 1610 CB MET A 99 14.516 -32.370 -3.032 1.00 34.14 C ATOM 1611 CG MET A 99 14.118 -33.789 -2.609 1.00 1.20 C ATOM 1612 SD MET A 99 14.732 -34.294 -0.980 1.00 0.43 S ATOM 1613 CE MET A 99 13.967 -35.936 -0.897 1.00 14.01 C ATOM 1614 OXT MET A 99 13.247 -29.901 -5.171 1.00 0.00 O ATOM 0 H MET A 99 13.717 -33.399 -5.972 1.00 15.52 H new ATOM 0 HA MET A 99 12.902 -32.156 -4.386 1.00 63.24 H new ATOM 0 HB2 MET A 99 15.602 -32.276 -3.020 1.00 34.14 H new ATOM 0 HB3 MET A 99 14.125 -31.651 -2.312 1.00 34.14 H new ATOM 0 HG2 MET A 99 13.030 -33.863 -2.611 1.00 1.20 H new ATOM 0 HG3 MET A 99 14.487 -34.493 -3.355 1.00 1.20 H new ATOM 0 HE1 MET A 99 14.232 -36.413 0.047 1.00 14.01 H new ATOM 0 HE2 MET A 99 12.884 -35.836 -0.962 1.00 14.01 H new ATOM 0 HE3 MET A 99 14.325 -36.547 -1.726 1.00 14.01 H new TER 1624 MET A 99