USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 481 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 37:sc= 0.468 USER MOD Single : A 10 MET CE :methyl -174:sc= -7.72! (180deg=-8.29!) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0446 (180deg=-0.419) USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= 0.576 (180deg=0.0577) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -3.43 F(o=-4.1,f=-3.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.878 F(o=-5.2!,f=-0.88) USER MOD Single : A 35 GLN : amide:sc= -3.3! C(o=-3.3!,f=-4.1!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.425 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 40:sc= 1.11 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -153:sc= 0.619 USER MOD Single : A 62 GLN :FLIP amide:sc= -7.4! C(o=-14!,f=-7.4!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.418 USER MOD Single : A 67 ASN : amide:sc= -3.77 K(o=-3.8,f=-7.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.155 15.744 -6.959 1.00 25.34 N ATOM 2 CA GLY A 1 -1.559 16.465 -5.767 1.00 54.12 C ATOM 3 C GLY A 1 -1.096 15.784 -4.494 1.00 43.51 C ATOM 4 O GLY A 1 -1.905 15.473 -3.620 1.00 63.34 O ATOM 0 H1 GLY A 1 -1.495 16.249 -7.802 1.00 25.34 H new ATOM 0 H2 GLY A 1 -0.118 15.678 -6.990 1.00 25.34 H new ATOM 0 H3 GLY A 1 -1.562 14.787 -6.941 1.00 25.34 H new ATOM 0 HA2 GLY A 1 -1.154 17.476 -5.803 1.00 54.12 H new ATOM 0 HA3 GLY A 1 -2.645 16.557 -5.752 1.00 54.12 H new ATOM 8 N ALA A 2 0.208 15.552 -4.389 1.00 11.12 N ATOM 9 CA ALA A 2 0.776 14.905 -3.214 1.00 43.31 C ATOM 10 C ALA A 2 1.374 15.931 -2.257 1.00 73.13 C ATOM 11 O ALA A 2 2.494 16.401 -2.456 1.00 43.10 O ATOM 12 CB ALA A 2 1.831 13.890 -3.629 1.00 45.25 C ATOM 0 H ALA A 2 0.891 15.803 -5.104 1.00 11.12 H new ATOM 0 HA ALA A 2 -0.027 14.385 -2.692 1.00 43.31 H new ATOM 0 HB1 ALA A 2 2.247 13.414 -2.741 1.00 45.25 H new ATOM 0 HB2 ALA A 2 1.376 13.133 -4.267 1.00 45.25 H new ATOM 0 HB3 ALA A 2 2.627 14.395 -4.176 1.00 45.25 H new ATOM 18 N MET A 3 0.620 16.274 -1.217 1.00 12.54 N ATOM 19 CA MET A 3 1.077 17.245 -0.230 1.00 71.40 C ATOM 20 C MET A 3 0.903 16.703 1.186 1.00 34.31 C ATOM 21 O MET A 3 -0.201 16.694 1.727 1.00 32.22 O ATOM 22 CB MET A 3 0.309 18.559 -0.381 1.00 32.23 C ATOM 23 CG MET A 3 1.114 19.659 -1.055 1.00 43.25 C ATOM 24 SD MET A 3 0.100 21.074 -1.524 1.00 22.45 S ATOM 25 CE MET A 3 1.228 21.955 -2.602 1.00 23.54 C ATOM 0 H MET A 3 -0.309 15.894 -1.036 1.00 12.54 H new ATOM 0 HA MET A 3 2.137 17.430 -0.404 1.00 71.40 H new ATOM 0 HB2 MET A 3 -0.597 18.377 -0.959 1.00 32.23 H new ATOM 0 HB3 MET A 3 -0.006 18.902 0.605 1.00 32.23 H new ATOM 0 HG2 MET A 3 1.904 19.991 -0.381 1.00 43.25 H new ATOM 0 HG3 MET A 3 1.601 19.256 -1.943 1.00 43.25 H new ATOM 0 HE1 MET A 3 0.745 22.858 -2.975 1.00 23.54 H new ATOM 0 HE2 MET A 3 2.125 22.227 -2.046 1.00 23.54 H new ATOM 0 HE3 MET A 3 1.501 21.317 -3.442 1.00 23.54 H new ATOM 33 N GLY A 4 2.003 16.249 1.780 1.00 34.31 N ATOM 34 CA GLY A 4 1.951 15.710 3.126 1.00 71.13 C ATOM 35 C GLY A 4 3.291 15.171 3.588 1.00 24.34 C ATOM 36 O GLY A 4 4.073 14.638 2.801 1.00 52.33 O ATOM 0 H GLY A 4 2.929 16.245 1.353 1.00 34.31 H new ATOM 0 HA2 GLY A 4 1.620 16.489 3.813 1.00 71.13 H new ATOM 0 HA3 GLY A 4 1.209 14.913 3.166 1.00 71.13 H new ATOM 40 N PRO A 5 3.571 15.309 4.891 1.00 51.34 N ATOM 41 CA PRO A 5 4.826 14.840 5.486 1.00 60.53 C ATOM 42 C PRO A 5 4.913 13.317 5.528 1.00 0.40 C ATOM 43 O PRO A 5 6.005 12.749 5.527 1.00 42.31 O ATOM 44 CB PRO A 5 4.783 15.413 6.905 1.00 74.51 C ATOM 45 CG PRO A 5 3.334 15.588 7.199 1.00 4.14 C ATOM 46 CD PRO A 5 2.685 15.935 5.887 1.00 42.41 C ATOM 0 HA PRO A 5 5.695 15.159 4.910 1.00 60.53 H new ATOM 0 HB2 PRO A 5 5.253 14.737 7.619 1.00 74.51 H new ATOM 0 HB3 PRO A 5 5.317 16.362 6.965 1.00 74.51 H new ATOM 0 HG2 PRO A 5 2.907 14.676 7.616 1.00 4.14 H new ATOM 0 HG3 PRO A 5 3.177 16.378 7.933 1.00 4.14 H new ATOM 0 HD2 PRO A 5 1.670 15.543 5.825 1.00 42.41 H new ATOM 0 HD3 PRO A 5 2.619 17.014 5.744 1.00 42.41 H new ATOM 51 N ARG A 6 3.757 12.664 5.565 1.00 22.21 N ATOM 52 CA ARG A 6 3.703 11.208 5.608 1.00 20.11 C ATOM 53 C ARG A 6 3.740 10.620 4.201 1.00 0.31 C ATOM 54 O ARG A 6 2.806 10.797 3.419 1.00 42.32 O ATOM 55 CB ARG A 6 2.438 10.745 6.332 1.00 63.24 C ATOM 56 CG ARG A 6 1.166 10.939 5.522 1.00 42.05 C ATOM 57 CD ARG A 6 -0.040 11.158 6.423 1.00 11.41 C ATOM 58 NE ARG A 6 -0.434 12.563 6.476 1.00 42.22 N ATOM 59 CZ ARG A 6 -1.588 12.983 6.982 1.00 4.23 C ATOM 60 NH1 ARG A 6 -2.457 12.112 7.475 1.00 31.54 N ATOM 61 NH2 ARG A 6 -1.876 14.279 6.994 1.00 44.43 N ATOM 0 H ARG A 6 2.845 13.120 5.566 1.00 22.21 H new ATOM 0 HA ARG A 6 4.577 10.853 6.154 1.00 20.11 H new ATOM 0 HB2 ARG A 6 2.540 9.690 6.585 1.00 63.24 H new ATOM 0 HB3 ARG A 6 2.347 11.290 7.271 1.00 63.24 H new ATOM 0 HG2 ARG A 6 1.284 11.794 4.856 1.00 42.05 H new ATOM 0 HG3 ARG A 6 0.997 10.065 4.892 1.00 42.05 H new ATOM 0 HD2 ARG A 6 -0.876 10.560 6.061 1.00 11.41 H new ATOM 0 HD3 ARG A 6 0.190 10.808 7.429 1.00 11.41 H new ATOM 0 HE ARG A 6 0.212 13.260 6.104 1.00 42.22 H new ATOM 0 HH11 ARG A 6 -2.241 11.115 7.467 1.00 31.54 H new ATOM 0 HH12 ARG A 6 -3.342 12.438 7.863 1.00 31.54 H new ATOM 0 HH21 ARG A 6 -1.211 14.953 6.614 1.00 44.43 H new ATOM 0 HH22 ARG A 6 -2.762 14.601 7.383 1.00 44.43 H new ATOM 72 N GLU A 7 4.826 9.921 3.885 1.00 10.01 N ATOM 73 CA GLU A 7 4.985 9.309 2.571 1.00 43.20 C ATOM 74 C GLU A 7 5.132 7.795 2.691 1.00 41.20 C ATOM 75 O GLU A 7 6.128 7.296 3.214 1.00 71.41 O ATOM 76 CB GLU A 7 6.203 9.895 1.855 1.00 21.04 C ATOM 77 CG GLU A 7 6.051 11.364 1.499 1.00 42.41 C ATOM 78 CD GLU A 7 7.019 12.252 2.257 1.00 12.13 C ATOM 79 OE1 GLU A 7 8.202 11.871 2.380 1.00 3.31 O ATOM 80 OE2 GLU A 7 6.593 13.328 2.727 1.00 1.33 O ATOM 0 H GLU A 7 5.608 9.765 4.521 1.00 10.01 H new ATOM 0 HA GLU A 7 4.090 9.525 1.987 1.00 43.20 H new ATOM 0 HB2 GLU A 7 7.081 9.773 2.490 1.00 21.04 H new ATOM 0 HB3 GLU A 7 6.387 9.326 0.944 1.00 21.04 H new ATOM 0 HG2 GLU A 7 6.209 11.492 0.428 1.00 42.41 H new ATOM 0 HG3 GLU A 7 5.030 11.682 1.711 1.00 42.41 H new ATOM 85 N VAL A 8 4.131 7.069 2.201 1.00 10.04 N ATOM 86 CA VAL A 8 4.148 5.612 2.252 1.00 12.11 C ATOM 87 C VAL A 8 4.738 5.024 0.975 1.00 13.23 C ATOM 88 O VAL A 8 4.256 5.291 -0.127 1.00 42.33 O ATOM 89 CB VAL A 8 2.733 5.041 2.459 1.00 63.14 C ATOM 90 CG1 VAL A 8 1.997 4.940 1.131 1.00 4.20 C ATOM 91 CG2 VAL A 8 2.800 3.686 3.144 1.00 71.44 C ATOM 0 H VAL A 8 3.299 7.466 1.765 1.00 10.04 H new ATOM 0 HA VAL A 8 4.773 5.333 3.100 1.00 12.11 H new ATOM 0 HB VAL A 8 2.177 5.722 3.104 1.00 63.14 H new ATOM 0 HG11 VAL A 8 0.999 4.534 1.298 1.00 4.20 H new ATOM 0 HG12 VAL A 8 1.916 5.931 0.684 1.00 4.20 H new ATOM 0 HG13 VAL A 8 2.548 4.282 0.459 1.00 4.20 H new ATOM 0 HG21 VAL A 8 1.791 3.298 3.282 1.00 71.44 H new ATOM 0 HG22 VAL A 8 3.374 2.994 2.527 1.00 71.44 H new ATOM 0 HG23 VAL A 8 3.284 3.793 4.115 1.00 71.44 H new ATOM 101 N THR A 9 5.788 4.222 1.130 1.00 23.24 N ATOM 102 CA THR A 9 6.445 3.596 -0.011 1.00 73.34 C ATOM 103 C THR A 9 6.541 2.085 0.170 1.00 53.32 C ATOM 104 O THR A 9 7.172 1.603 1.110 1.00 21.40 O ATOM 105 CB THR A 9 7.860 4.166 -0.225 1.00 1.43 C ATOM 106 OG1 THR A 9 8.638 4.009 0.966 1.00 44.31 O ATOM 107 CG2 THR A 9 7.797 5.638 -0.606 1.00 51.02 C ATOM 0 H THR A 9 6.201 3.991 2.034 1.00 23.24 H new ATOM 0 HA THR A 9 5.835 3.816 -0.887 1.00 73.34 H new ATOM 0 HB THR A 9 8.331 3.615 -1.039 1.00 1.43 H new ATOM 0 HG1 THR A 9 8.415 3.155 1.392 1.00 44.31 H new ATOM 0 HG21 THR A 9 8.808 6.020 -0.752 1.00 51.02 H new ATOM 0 HG22 THR A 9 7.229 5.751 -1.530 1.00 51.02 H new ATOM 0 HG23 THR A 9 7.309 6.199 0.191 1.00 51.02 H new ATOM 115 N MET A 10 5.911 1.345 -0.735 1.00 33.23 N ATOM 116 CA MET A 10 5.928 -0.113 -0.675 1.00 0.41 C ATOM 117 C MET A 10 7.164 -0.671 -1.373 1.00 31.42 C ATOM 118 O MET A 10 7.289 -0.589 -2.596 1.00 73.24 O ATOM 119 CB MET A 10 4.663 -0.685 -1.317 1.00 44.11 C ATOM 120 CG MET A 10 3.436 0.192 -1.130 1.00 2.52 C ATOM 121 SD MET A 10 1.961 -0.500 -1.904 1.00 15.55 S ATOM 122 CE MET A 10 2.133 0.123 -3.575 1.00 5.24 C ATOM 0 H MET A 10 5.383 1.729 -1.518 1.00 33.23 H new ATOM 0 HA MET A 10 5.960 -0.409 0.374 1.00 0.41 H new ATOM 0 HB2 MET A 10 4.839 -0.827 -2.383 1.00 44.11 H new ATOM 0 HB3 MET A 10 4.464 -1.669 -0.893 1.00 44.11 H new ATOM 0 HG2 MET A 10 3.252 0.329 -0.065 1.00 2.52 H new ATOM 0 HG3 MET A 10 3.632 1.179 -1.549 1.00 2.52 H new ATOM 0 HE1 MET A 10 1.243 -0.130 -4.151 1.00 5.24 H new ATOM 0 HE2 MET A 10 2.253 1.206 -3.549 1.00 5.24 H new ATOM 0 HE3 MET A 10 3.008 -0.328 -4.043 1.00 5.24 H new ATOM 130 N LYS A 11 8.075 -1.239 -0.590 1.00 62.50 N ATOM 131 CA LYS A 11 9.300 -1.813 -1.132 1.00 2.40 C ATOM 132 C LYS A 11 9.108 -3.288 -1.471 1.00 41.53 C ATOM 133 O LYS A 11 8.716 -4.085 -0.618 1.00 52.12 O ATOM 134 CB LYS A 11 10.448 -1.653 -0.132 1.00 31.35 C ATOM 135 CG LYS A 11 10.721 -0.210 0.256 1.00 34.21 C ATOM 136 CD LYS A 11 10.381 0.049 1.714 1.00 33.02 C ATOM 137 CE LYS A 11 10.842 1.429 2.156 1.00 21.40 C ATOM 138 NZ LYS A 11 12.323 1.569 2.083 1.00 30.24 N ATOM 0 H LYS A 11 7.987 -1.314 0.423 1.00 62.50 H new ATOM 0 HA LYS A 11 9.547 -1.278 -2.049 1.00 2.40 H new ATOM 0 HB2 LYS A 11 10.218 -2.225 0.767 1.00 31.35 H new ATOM 0 HB3 LYS A 11 11.354 -2.083 -0.560 1.00 31.35 H new ATOM 0 HG2 LYS A 11 11.771 0.023 0.079 1.00 34.21 H new ATOM 0 HG3 LYS A 11 10.136 0.455 -0.379 1.00 34.21 H new ATOM 0 HD2 LYS A 11 9.304 -0.040 1.859 1.00 33.02 H new ATOM 0 HD3 LYS A 11 10.851 -0.710 2.339 1.00 33.02 H new ATOM 0 HE2 LYS A 11 10.374 2.187 1.527 1.00 21.40 H new ATOM 0 HE3 LYS A 11 10.510 1.613 3.178 1.00 21.40 H new ATOM 0 HZ1 LYS A 11 12.626 2.369 2.675 1.00 30.24 H new ATOM 0 HZ2 LYS A 11 12.772 0.695 2.425 1.00 30.24 H new ATOM 0 HZ3 LYS A 11 12.607 1.741 1.098 1.00 30.24 H new ATOM 148 N LYS A 12 9.386 -3.644 -2.720 1.00 73.04 N ATOM 149 CA LYS A 12 9.248 -5.024 -3.171 1.00 22.24 C ATOM 150 C LYS A 12 9.764 -5.997 -2.116 1.00 41.12 C ATOM 151 O LYS A 12 10.954 -6.020 -1.809 1.00 51.23 O ATOM 152 CB LYS A 12 10.004 -5.231 -4.485 1.00 60.14 C ATOM 153 CG LYS A 12 9.509 -6.419 -5.291 1.00 21.23 C ATOM 154 CD LYS A 12 9.582 -6.149 -6.785 1.00 32.14 C ATOM 155 CE LYS A 12 9.933 -7.408 -7.562 1.00 14.43 C ATOM 156 NZ LYS A 12 8.739 -8.001 -8.226 1.00 12.51 N ATOM 0 H LYS A 12 9.708 -2.996 -3.439 1.00 73.04 H new ATOM 0 HA LYS A 12 8.188 -5.222 -3.334 1.00 22.24 H new ATOM 0 HB2 LYS A 12 9.916 -4.329 -5.091 1.00 60.14 H new ATOM 0 HB3 LYS A 12 11.063 -5.366 -4.267 1.00 60.14 H new ATOM 0 HG2 LYS A 12 10.107 -7.298 -5.050 1.00 21.23 H new ATOM 0 HG3 LYS A 12 8.480 -6.646 -5.011 1.00 21.23 H new ATOM 0 HD2 LYS A 12 8.625 -5.760 -7.133 1.00 32.14 H new ATOM 0 HD3 LYS A 12 10.329 -5.379 -6.981 1.00 32.14 H new ATOM 0 HE2 LYS A 12 10.687 -7.173 -8.313 1.00 14.43 H new ATOM 0 HE3 LYS A 12 10.374 -8.141 -6.886 1.00 14.43 H new ATOM 0 HZ1 LYS A 12 8.810 -9.038 -8.206 1.00 12.51 H new ATOM 0 HZ2 LYS A 12 7.879 -7.703 -7.723 1.00 12.51 H new ATOM 0 HZ3 LYS A 12 8.693 -7.676 -9.213 1.00 12.51 H new ATOM 166 N GLY A 13 8.859 -6.800 -1.564 1.00 2.10 N ATOM 167 CA GLY A 13 9.243 -7.764 -0.551 1.00 63.23 C ATOM 168 C GLY A 13 9.113 -7.211 0.855 1.00 12.14 C ATOM 169 O GLY A 13 10.065 -7.253 1.636 1.00 4.02 O ATOM 0 H GLY A 13 7.867 -6.799 -1.801 1.00 2.10 H new ATOM 0 HA2 GLY A 13 8.621 -8.654 -0.647 1.00 63.23 H new ATOM 0 HA3 GLY A 13 10.274 -8.075 -0.722 1.00 63.23 H new ATOM 173 N ASP A 14 7.935 -6.690 1.178 1.00 1.14 N ATOM 174 CA ASP A 14 7.684 -6.125 2.499 1.00 14.23 C ATOM 175 C ASP A 14 6.229 -6.326 2.909 1.00 24.41 C ATOM 176 O ASP A 14 5.332 -6.338 2.065 1.00 1.41 O ATOM 177 CB ASP A 14 8.030 -4.635 2.513 1.00 42.34 C ATOM 178 CG ASP A 14 8.668 -4.201 3.819 1.00 30.54 C ATOM 179 OD1 ASP A 14 7.953 -4.155 4.842 1.00 41.02 O ATOM 180 OD2 ASP A 14 9.881 -3.909 3.817 1.00 73.23 O ATOM 0 H ASP A 14 7.138 -6.647 0.543 1.00 1.14 H new ATOM 0 HA ASP A 14 8.319 -6.645 3.216 1.00 14.23 H new ATOM 0 HB2 ASP A 14 8.709 -4.415 1.689 1.00 42.34 H new ATOM 0 HB3 ASP A 14 7.124 -4.053 2.343 1.00 42.34 H new ATOM 184 N ILE A 15 6.002 -6.485 4.208 1.00 71.34 N ATOM 185 CA ILE A 15 4.656 -6.686 4.730 1.00 32.12 C ATOM 186 C ILE A 15 4.102 -5.399 5.332 1.00 34.43 C ATOM 187 O ILE A 15 4.626 -4.891 6.325 1.00 24.15 O ATOM 188 CB ILE A 15 4.625 -7.795 5.799 1.00 14.22 C ATOM 189 CG1 ILE A 15 5.262 -9.076 5.254 1.00 25.14 C ATOM 190 CG2 ILE A 15 3.197 -8.056 6.250 1.00 22.55 C ATOM 191 CD1 ILE A 15 5.722 -10.029 6.335 1.00 15.34 C ATOM 0 H ILE A 15 6.733 -6.479 4.919 1.00 71.34 H new ATOM 0 HA ILE A 15 4.033 -6.988 3.888 1.00 32.12 H new ATOM 0 HB ILE A 15 5.202 -7.464 6.663 1.00 14.22 H new ATOM 0 HG12 ILE A 15 4.542 -9.586 4.613 1.00 25.14 H new ATOM 0 HG13 ILE A 15 6.114 -8.811 4.628 1.00 25.14 H new ATOM 0 HG21 ILE A 15 3.192 -8.842 7.005 1.00 22.55 H new ATOM 0 HG22 ILE A 15 2.776 -7.144 6.673 1.00 22.55 H new ATOM 0 HG23 ILE A 15 2.597 -8.370 5.396 1.00 22.55 H new ATOM 0 HD11 ILE A 15 6.163 -10.914 5.876 1.00 15.34 H new ATOM 0 HD12 ILE A 15 6.465 -9.537 6.962 1.00 15.34 H new ATOM 0 HD13 ILE A 15 4.870 -10.324 6.947 1.00 15.34 H new ATOM 202 N LEU A 16 3.041 -4.879 4.727 1.00 64.14 N ATOM 203 CA LEU A 16 2.413 -3.652 5.205 1.00 72.22 C ATOM 204 C LEU A 16 0.994 -3.921 5.697 1.00 14.34 C ATOM 205 O LEU A 16 0.213 -4.599 5.030 1.00 64.43 O ATOM 206 CB LEU A 16 2.388 -2.603 4.092 1.00 42.51 C ATOM 207 CG LEU A 16 3.503 -2.702 3.050 1.00 34.41 C ATOM 208 CD1 LEU A 16 2.998 -3.394 1.794 1.00 10.54 C ATOM 209 CD2 LEU A 16 4.048 -1.321 2.718 1.00 74.03 C ATOM 0 H LEU A 16 2.597 -5.287 3.904 1.00 64.14 H new ATOM 0 HA LEU A 16 3.001 -3.274 6.041 1.00 72.22 H new ATOM 0 HB2 LEU A 16 1.430 -2.672 3.577 1.00 42.51 H new ATOM 0 HB3 LEU A 16 2.433 -1.615 4.550 1.00 42.51 H new ATOM 0 HG LEU A 16 4.314 -3.299 3.469 1.00 34.41 H new ATOM 0 HD11 LEU A 16 3.804 -3.456 1.063 1.00 10.54 H new ATOM 0 HD12 LEU A 16 2.657 -4.399 2.044 1.00 10.54 H new ATOM 0 HD13 LEU A 16 2.170 -2.824 1.373 1.00 10.54 H new ATOM 0 HD21 LEU A 16 4.840 -1.412 1.975 1.00 74.03 H new ATOM 0 HD22 LEU A 16 3.246 -0.700 2.319 1.00 74.03 H new ATOM 0 HD23 LEU A 16 4.449 -0.861 3.621 1.00 74.03 H new ATOM 220 N THR A 17 0.668 -3.383 6.868 1.00 1.34 N ATOM 221 CA THR A 17 -0.657 -3.564 7.448 1.00 51.03 C ATOM 222 C THR A 17 -1.750 -3.268 6.429 1.00 52.41 C ATOM 223 O THR A 17 -1.776 -2.194 5.826 1.00 4.41 O ATOM 224 CB THR A 17 -0.859 -2.660 8.679 1.00 10.41 C ATOM 225 OG1 THR A 17 0.100 -2.988 9.691 1.00 43.52 O ATOM 226 CG2 THR A 17 -2.266 -2.811 9.237 1.00 13.22 C ATOM 0 H THR A 17 1.303 -2.819 7.433 1.00 1.34 H new ATOM 0 HA THR A 17 -0.727 -4.607 7.757 1.00 51.03 H new ATOM 0 HB THR A 17 -0.718 -1.625 8.369 1.00 10.41 H new ATOM 0 HG1 THR A 17 -0.034 -2.408 10.469 1.00 43.52 H new ATOM 0 HG21 THR A 17 -2.384 -2.163 10.105 1.00 13.22 H new ATOM 0 HG22 THR A 17 -2.992 -2.531 8.474 1.00 13.22 H new ATOM 0 HG23 THR A 17 -2.431 -3.847 9.532 1.00 13.22 H new ATOM 234 N LEU A 18 -2.651 -4.225 6.240 1.00 3.41 N ATOM 235 CA LEU A 18 -3.750 -4.065 5.293 1.00 14.24 C ATOM 236 C LEU A 18 -4.721 -2.988 5.762 1.00 24.11 C ATOM 237 O LEU A 18 -5.841 -3.286 6.179 1.00 71.54 O ATOM 238 CB LEU A 18 -4.489 -5.392 5.110 1.00 3.33 C ATOM 239 CG LEU A 18 -5.115 -5.629 3.735 1.00 54.44 C ATOM 240 CD1 LEU A 18 -6.492 -6.256 3.876 1.00 71.31 C ATOM 241 CD2 LEU A 18 -5.197 -4.324 2.955 1.00 70.42 C ATOM 0 H LEU A 18 -2.643 -5.120 6.729 1.00 3.41 H new ATOM 0 HA LEU A 18 -3.330 -3.756 4.336 1.00 14.24 H new ATOM 0 HB2 LEU A 18 -3.791 -6.204 5.314 1.00 3.33 H new ATOM 0 HB3 LEU A 18 -5.277 -5.452 5.861 1.00 3.33 H new ATOM 0 HG LEU A 18 -4.480 -6.321 3.182 1.00 54.44 H new ATOM 0 HD11 LEU A 18 -6.921 -6.417 2.887 1.00 71.31 H new ATOM 0 HD12 LEU A 18 -6.406 -7.211 4.394 1.00 71.31 H new ATOM 0 HD13 LEU A 18 -7.138 -5.590 4.448 1.00 71.31 H new ATOM 0 HD21 LEU A 18 -5.645 -4.511 1.979 1.00 70.42 H new ATOM 0 HD22 LEU A 18 -5.810 -3.610 3.505 1.00 70.42 H new ATOM 0 HD23 LEU A 18 -4.195 -3.916 2.822 1.00 70.42 H new ATOM 252 N LEU A 19 -4.288 -1.734 5.688 1.00 1.22 N ATOM 253 CA LEU A 19 -5.121 -0.611 6.103 1.00 44.31 C ATOM 254 C LEU A 19 -6.436 -0.592 5.330 1.00 0.14 C ATOM 255 O LEU A 19 -6.703 -1.478 4.519 1.00 54.40 O ATOM 256 CB LEU A 19 -4.375 0.707 5.895 1.00 44.33 C ATOM 257 CG LEU A 19 -3.631 1.258 7.113 1.00 62.13 C ATOM 258 CD1 LEU A 19 -2.783 0.172 7.755 1.00 53.35 C ATOM 259 CD2 LEU A 19 -2.770 2.448 6.719 1.00 41.45 C ATOM 0 H LEU A 19 -3.365 -1.470 5.344 1.00 1.22 H new ATOM 0 HA LEU A 19 -5.346 -0.731 7.163 1.00 44.31 H new ATOM 0 HB2 LEU A 19 -3.657 0.571 5.087 1.00 44.33 H new ATOM 0 HB3 LEU A 19 -5.091 1.458 5.562 1.00 44.33 H new ATOM 0 HG LEU A 19 -4.367 1.595 7.843 1.00 62.13 H new ATOM 0 HD11 LEU A 19 -2.261 0.582 8.620 1.00 53.35 H new ATOM 0 HD12 LEU A 19 -3.424 -0.650 8.074 1.00 53.35 H new ATOM 0 HD13 LEU A 19 -2.055 -0.196 7.032 1.00 53.35 H new ATOM 0 HD21 LEU A 19 -2.248 2.827 7.598 1.00 41.45 H new ATOM 0 HD22 LEU A 19 -2.041 2.138 5.970 1.00 41.45 H new ATOM 0 HD23 LEU A 19 -3.402 3.234 6.306 1.00 41.45 H new ATOM 270 N ASN A 20 -7.252 0.426 5.584 1.00 31.31 N ATOM 271 CA ASN A 20 -8.538 0.561 4.910 1.00 31.22 C ATOM 272 C ASN A 20 -8.407 0.255 3.420 1.00 52.43 C ATOM 273 O ASN A 20 -7.965 1.099 2.640 1.00 24.22 O ATOM 274 CB ASN A 20 -9.094 1.973 5.104 1.00 74.35 C ATOM 275 CG ASN A 20 -10.425 1.975 5.831 1.00 21.32 C ATOM 276 OD1 ASN A 20 -10.475 1.907 7.060 1.00 31.24 O ATOM 277 ND2 ASN A 20 -11.513 2.053 5.073 1.00 15.23 N ATOM 0 H ASN A 20 -7.045 1.169 6.251 1.00 31.31 H new ATOM 0 HA ASN A 20 -9.228 -0.158 5.352 1.00 31.22 H new ATOM 0 HB2 ASN A 20 -8.375 2.570 5.666 1.00 74.35 H new ATOM 0 HB3 ASN A 20 -9.214 2.450 4.131 1.00 74.35 H new ATOM 0 HD21 ASN A 20 -12.437 2.058 5.506 1.00 15.23 H new ATOM 0 HD22 ASN A 20 -11.425 2.108 4.058 1.00 15.23 H new ATOM 283 N SER A 21 -8.792 -0.957 3.034 1.00 51.13 N ATOM 284 CA SER A 21 -8.714 -1.375 1.639 1.00 60.11 C ATOM 285 C SER A 21 -10.008 -1.046 0.901 1.00 74.11 C ATOM 286 O SER A 21 -10.242 -1.526 -0.209 1.00 11.03 O ATOM 287 CB SER A 21 -8.430 -2.876 1.551 1.00 0.15 C ATOM 288 OG SER A 21 -9.171 -3.593 2.522 1.00 61.44 O ATOM 0 H SER A 21 -9.161 -1.667 3.667 1.00 51.13 H new ATOM 0 HA SER A 21 -7.898 -0.829 1.166 1.00 60.11 H new ATOM 0 HB2 SER A 21 -8.683 -3.239 0.555 1.00 0.15 H new ATOM 0 HB3 SER A 21 -7.365 -3.057 1.695 1.00 0.15 H new ATOM 0 HG SER A 21 -8.973 -4.550 2.444 1.00 61.44 H new ATOM 293 N THR A 22 -10.845 -0.223 1.524 1.00 41.30 N ATOM 294 CA THR A 22 -12.115 0.170 0.928 1.00 64.23 C ATOM 295 C THR A 22 -12.001 0.280 -0.588 1.00 14.40 C ATOM 296 O THR A 22 -12.775 -0.331 -1.324 1.00 43.22 O ATOM 297 CB THR A 22 -12.608 1.516 1.494 1.00 15.03 C ATOM 298 OG1 THR A 22 -13.761 1.959 0.768 1.00 41.23 O ATOM 299 CG2 THR A 22 -11.515 2.570 1.410 1.00 45.53 C ATOM 0 H THR A 22 -10.666 0.184 2.442 1.00 41.30 H new ATOM 0 HA THR A 22 -12.836 -0.608 1.179 1.00 64.23 H new ATOM 0 HB THR A 22 -12.872 1.371 2.542 1.00 15.03 H new ATOM 0 HG1 THR A 22 -14.070 2.814 1.134 1.00 41.23 H new ATOM 0 HG21 THR A 22 -11.886 3.512 1.815 1.00 45.53 H new ATOM 0 HG22 THR A 22 -10.649 2.243 1.986 1.00 45.53 H new ATOM 0 HG23 THR A 22 -11.226 2.712 0.369 1.00 45.53 H new ATOM 307 N ASN A 23 -11.029 1.061 -1.049 1.00 42.30 N ATOM 308 CA ASN A 23 -10.814 1.251 -2.478 1.00 2.33 C ATOM 309 C ASN A 23 -10.490 -0.075 -3.160 1.00 61.30 C ATOM 310 O ASN A 23 -9.891 -0.966 -2.557 1.00 35.13 O ATOM 311 CB ASN A 23 -9.680 2.250 -2.717 1.00 50.13 C ATOM 312 CG ASN A 23 -10.192 3.636 -3.057 1.00 0.32 C ATOM 313 OD1 ASN A 23 -10.271 3.936 -4.349 1.00 5.24 O flip ATOM 314 ND2 ASN A 23 -10.512 4.427 -2.170 1.00 45.22 N flip ATOM 0 H ASN A 23 -10.378 1.572 -0.453 1.00 42.30 H new ATOM 0 HA ASN A 23 -11.734 1.646 -2.909 1.00 2.33 H new ATOM 0 HB2 ASN A 23 -9.055 2.305 -1.826 1.00 50.13 H new ATOM 0 HB3 ASN A 23 -9.048 1.890 -3.529 1.00 50.13 H new ATOM 0 HD21 ASN A 23 -10.435 4.153 -1.190 1.00 45.22 H new ATOM 0 HD22 ASN A 23 -10.854 5.356 -2.414 1.00 45.22 H new ATOM 320 N LYS A 24 -10.890 -0.199 -4.421 1.00 2.02 N ATOM 321 CA LYS A 24 -10.642 -1.414 -5.187 1.00 50.43 C ATOM 322 C LYS A 24 -9.315 -1.324 -5.936 1.00 24.21 C ATOM 323 O LYS A 24 -8.479 -2.223 -5.846 1.00 31.25 O ATOM 324 CB LYS A 24 -11.782 -1.659 -6.177 1.00 62.12 C ATOM 325 CG LYS A 24 -11.530 -1.073 -7.555 1.00 54.33 C ATOM 326 CD LYS A 24 -12.613 -1.477 -8.540 1.00 15.04 C ATOM 327 CE LYS A 24 -12.695 -0.505 -9.707 1.00 10.42 C ATOM 328 NZ LYS A 24 -14.091 -0.044 -9.949 1.00 72.14 N ATOM 0 H LYS A 24 -11.388 0.528 -4.934 1.00 2.02 H new ATOM 0 HA LYS A 24 -10.589 -2.249 -4.489 1.00 50.43 H new ATOM 0 HB2 LYS A 24 -11.944 -2.733 -6.273 1.00 62.12 H new ATOM 0 HB3 LYS A 24 -12.700 -1.233 -5.773 1.00 62.12 H new ATOM 0 HG2 LYS A 24 -11.487 0.014 -7.487 1.00 54.33 H new ATOM 0 HG3 LYS A 24 -10.560 -1.408 -7.922 1.00 54.33 H new ATOM 0 HD2 LYS A 24 -12.410 -2.480 -8.914 1.00 15.04 H new ATOM 0 HD3 LYS A 24 -13.575 -1.516 -8.029 1.00 15.04 H new ATOM 0 HE2 LYS A 24 -12.058 0.356 -9.507 1.00 10.42 H new ATOM 0 HE3 LYS A 24 -12.310 -0.985 -10.607 1.00 10.42 H new ATOM 0 HZ1 LYS A 24 -14.104 0.617 -10.752 1.00 72.14 H new ATOM 0 HZ2 LYS A 24 -14.695 -0.863 -10.165 1.00 72.14 H new ATOM 0 HZ3 LYS A 24 -14.450 0.437 -9.099 1.00 72.14 H new ATOM 338 N ASP A 25 -9.130 -0.234 -6.672 1.00 2.12 N ATOM 339 CA ASP A 25 -7.904 -0.025 -7.433 1.00 34.31 C ATOM 340 C ASP A 25 -6.792 0.510 -6.537 1.00 10.35 C ATOM 341 O ASP A 25 -5.659 0.696 -6.982 1.00 21.12 O ATOM 342 CB ASP A 25 -8.156 0.943 -8.591 1.00 52.33 C ATOM 343 CG ASP A 25 -9.406 0.597 -9.373 1.00 64.41 C ATOM 344 OD1 ASP A 25 -9.587 -0.592 -9.710 1.00 33.13 O ATOM 345 OD2 ASP A 25 -10.207 1.516 -9.648 1.00 61.30 O ATOM 0 H ASP A 25 -9.813 0.518 -6.758 1.00 2.12 H new ATOM 0 HA ASP A 25 -7.588 -0.987 -7.837 1.00 34.31 H new ATOM 0 HB2 ASP A 25 -8.244 1.957 -8.200 1.00 52.33 H new ATOM 0 HB3 ASP A 25 -7.297 0.934 -9.262 1.00 52.33 H new ATOM 349 N TRP A 26 -7.124 0.759 -5.275 1.00 34.44 N ATOM 350 CA TRP A 26 -6.152 1.274 -4.318 1.00 4.42 C ATOM 351 C TRP A 26 -6.410 0.712 -2.924 1.00 30.11 C ATOM 352 O TRP A 26 -7.490 0.894 -2.361 1.00 14.14 O ATOM 353 CB TRP A 26 -6.204 2.803 -4.282 1.00 43.12 C ATOM 354 CG TRP A 26 -5.731 3.444 -5.551 1.00 44.01 C ATOM 355 CD1 TRP A 26 -6.434 3.576 -6.714 1.00 60.20 C ATOM 356 CD2 TRP A 26 -4.450 4.038 -5.784 1.00 13.14 C ATOM 357 NE1 TRP A 26 -5.668 4.216 -7.657 1.00 74.23 N ATOM 358 CE2 TRP A 26 -4.446 4.510 -7.112 1.00 42.51 C ATOM 359 CE3 TRP A 26 -3.306 4.218 -5.003 1.00 42.42 C ATOM 360 CZ2 TRP A 26 -3.343 5.150 -7.671 1.00 2.30 C ATOM 361 CZ3 TRP A 26 -2.212 4.853 -5.558 1.00 3.53 C ATOM 362 CH2 TRP A 26 -2.236 5.314 -6.882 1.00 64.33 C ATOM 0 H TRP A 26 -8.058 0.613 -4.891 1.00 34.44 H new ATOM 0 HA TRP A 26 -5.160 0.957 -4.639 1.00 4.42 H new ATOM 0 HB2 TRP A 26 -7.228 3.120 -4.083 1.00 43.12 H new ATOM 0 HB3 TRP A 26 -5.593 3.161 -3.453 1.00 43.12 H new ATOM 0 HD1 TRP A 26 -7.445 3.228 -6.869 1.00 60.20 H new ATOM 0 HE1 TRP A 26 -5.961 4.437 -8.609 1.00 74.23 H new ATOM 0 HE3 TRP A 26 -3.277 3.867 -3.982 1.00 42.42 H new ATOM 0 HZ2 TRP A 26 -3.360 5.505 -8.691 1.00 2.30 H new ATOM 0 HZ3 TRP A 26 -1.323 4.997 -4.962 1.00 3.53 H new ATOM 0 HH2 TRP A 26 -1.365 5.808 -7.287 1.00 64.33 H new ATOM 372 N TRP A 27 -5.415 0.027 -2.374 1.00 54.52 N ATOM 373 CA TRP A 27 -5.534 -0.562 -1.046 1.00 71.52 C ATOM 374 C TRP A 27 -4.648 0.169 -0.043 1.00 3.11 C ATOM 375 O TRP A 27 -3.421 0.119 -0.133 1.00 2.02 O ATOM 376 CB TRP A 27 -5.162 -2.046 -1.087 1.00 5.35 C ATOM 377 CG TRP A 27 -6.347 -2.950 -1.240 1.00 65.23 C ATOM 378 CD1 TRP A 27 -7.622 -2.584 -1.566 1.00 52.21 C ATOM 379 CD2 TRP A 27 -6.367 -4.372 -1.071 1.00 64.34 C ATOM 380 NE1 TRP A 27 -8.433 -3.692 -1.608 1.00 35.35 N ATOM 381 CE2 TRP A 27 -7.686 -4.802 -1.310 1.00 25.20 C ATOM 382 CE3 TRP A 27 -5.398 -5.324 -0.742 1.00 14.51 C ATOM 383 CZ2 TRP A 27 -8.059 -6.141 -1.229 1.00 22.54 C ATOM 384 CZ3 TRP A 27 -5.770 -6.653 -0.662 1.00 15.33 C ATOM 385 CH2 TRP A 27 -7.090 -7.051 -0.906 1.00 64.31 C ATOM 0 H TRP A 27 -4.516 -0.134 -2.828 1.00 54.52 H new ATOM 0 HA TRP A 27 -6.571 -0.463 -0.725 1.00 71.52 H new ATOM 0 HB2 TRP A 27 -4.473 -2.218 -1.914 1.00 5.35 H new ATOM 0 HB3 TRP A 27 -4.631 -2.306 -0.171 1.00 5.35 H new ATOM 0 HD1 TRP A 27 -7.945 -1.572 -1.762 1.00 52.21 H new ATOM 0 HE1 TRP A 27 -9.430 -3.689 -1.826 1.00 35.35 H new ATOM 0 HE3 TRP A 27 -4.377 -5.027 -0.554 1.00 14.51 H new ATOM 0 HZ2 TRP A 27 -9.077 -6.450 -1.415 1.00 22.54 H new ATOM 0 HZ3 TRP A 27 -5.030 -7.397 -0.407 1.00 15.33 H new ATOM 0 HH2 TRP A 27 -7.348 -8.097 -0.838 1.00 64.31 H new ATOM 395 N LYS A 28 -5.275 0.847 0.911 1.00 4.21 N ATOM 396 CA LYS A 28 -4.544 1.587 1.932 1.00 51.02 C ATOM 397 C LYS A 28 -3.663 0.653 2.754 1.00 54.53 C ATOM 398 O LYS A 28 -4.108 -0.403 3.204 1.00 23.42 O ATOM 399 CB LYS A 28 -5.518 2.327 2.852 1.00 34.14 C ATOM 400 CG LYS A 28 -4.909 3.540 3.533 1.00 4.13 C ATOM 401 CD LYS A 28 -5.812 4.073 4.633 1.00 52.43 C ATOM 402 CE LYS A 28 -5.514 5.533 4.939 1.00 43.14 C ATOM 403 NZ LYS A 28 -6.744 6.283 5.314 1.00 4.21 N ATOM 0 H LYS A 28 -6.290 0.899 0.999 1.00 4.21 H new ATOM 0 HA LYS A 28 -3.905 2.314 1.430 1.00 51.02 H new ATOM 0 HB2 LYS A 28 -6.384 2.644 2.271 1.00 34.14 H new ATOM 0 HB3 LYS A 28 -5.880 1.637 3.614 1.00 34.14 H new ATOM 0 HG2 LYS A 28 -3.939 3.274 3.954 1.00 4.13 H new ATOM 0 HG3 LYS A 28 -4.732 4.322 2.795 1.00 4.13 H new ATOM 0 HD2 LYS A 28 -6.854 3.968 4.332 1.00 52.43 H new ATOM 0 HD3 LYS A 28 -5.679 3.476 5.535 1.00 52.43 H new ATOM 0 HE2 LYS A 28 -4.790 5.593 5.752 1.00 43.14 H new ATOM 0 HE3 LYS A 28 -5.055 6.000 4.068 1.00 43.14 H new ATOM 0 HZ1 LYS A 28 -6.499 7.274 5.515 1.00 4.21 H new ATOM 0 HZ2 LYS A 28 -7.425 6.247 4.529 1.00 4.21 H new ATOM 0 HZ3 LYS A 28 -7.168 5.853 6.161 1.00 4.21 H new ATOM 413 N VAL A 29 -2.409 1.049 2.950 1.00 40.21 N ATOM 414 CA VAL A 29 -1.465 0.249 3.721 1.00 22.24 C ATOM 415 C VAL A 29 -0.512 1.136 4.515 1.00 60.51 C ATOM 416 O VAL A 29 -0.042 2.159 4.019 1.00 31.21 O ATOM 417 CB VAL A 29 -0.643 -0.682 2.810 1.00 12.31 C ATOM 418 CG1 VAL A 29 -1.561 -1.601 2.019 1.00 73.20 C ATOM 419 CG2 VAL A 29 0.243 0.132 1.879 1.00 72.10 C ATOM 0 H VAL A 29 -2.023 1.920 2.585 1.00 40.21 H new ATOM 0 HA VAL A 29 -2.053 -0.356 4.411 1.00 22.24 H new ATOM 0 HB VAL A 29 -0.001 -1.302 3.436 1.00 12.31 H new ATOM 0 HG11 VAL A 29 -0.963 -2.251 1.381 1.00 73.20 H new ATOM 0 HG12 VAL A 29 -2.149 -2.208 2.707 1.00 73.20 H new ATOM 0 HG13 VAL A 29 -2.230 -1.003 1.401 1.00 73.20 H new ATOM 0 HG21 VAL A 29 0.817 -0.541 1.242 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -0.378 0.778 1.258 1.00 72.10 H new ATOM 0 HG23 VAL A 29 0.926 0.744 2.469 1.00 72.10 H new ATOM 429 N GLU A 30 -0.232 0.736 5.752 1.00 1.15 N ATOM 430 CA GLU A 30 0.664 1.495 6.615 1.00 53.11 C ATOM 431 C GLU A 30 2.100 0.992 6.486 1.00 43.32 C ATOM 432 O GLU A 30 2.334 -0.185 6.210 1.00 54.31 O ATOM 433 CB GLU A 30 0.208 1.400 8.072 1.00 71.11 C ATOM 434 CG GLU A 30 1.275 1.813 9.073 1.00 21.12 C ATOM 435 CD GLU A 30 2.024 0.627 9.649 1.00 1.44 C ATOM 436 OE1 GLU A 30 2.742 -0.049 8.885 1.00 75.23 O ATOM 437 OE2 GLU A 30 1.891 0.377 10.865 1.00 64.32 O ATOM 0 H GLU A 30 -0.613 -0.109 6.178 1.00 1.15 H new ATOM 0 HA GLU A 30 0.633 2.538 6.300 1.00 53.11 H new ATOM 0 HB2 GLU A 30 -0.671 2.030 8.210 1.00 71.11 H new ATOM 0 HB3 GLU A 30 -0.098 0.375 8.282 1.00 71.11 H new ATOM 0 HG2 GLU A 30 1.983 2.484 8.587 1.00 21.12 H new ATOM 0 HG3 GLU A 30 0.810 2.373 9.884 1.00 21.12 H new ATOM 442 N VAL A 31 3.057 1.892 6.687 1.00 63.20 N ATOM 443 CA VAL A 31 4.469 1.540 6.594 1.00 5.32 C ATOM 444 C VAL A 31 5.228 1.982 7.841 1.00 2.13 C ATOM 445 O VAL A 31 5.941 2.984 7.823 1.00 22.02 O ATOM 446 CB VAL A 31 5.125 2.176 5.354 1.00 43.12 C ATOM 447 CG1 VAL A 31 6.633 1.978 5.388 1.00 11.04 C ATOM 448 CG2 VAL A 31 4.530 1.595 4.081 1.00 2.33 C ATOM 0 H VAL A 31 2.880 2.870 6.915 1.00 63.20 H new ATOM 0 HA VAL A 31 4.521 0.455 6.506 1.00 5.32 H new ATOM 0 HB VAL A 31 4.923 3.247 5.365 1.00 43.12 H new ATOM 0 HG11 VAL A 31 7.080 2.434 4.504 1.00 11.04 H new ATOM 0 HG12 VAL A 31 7.041 2.446 6.284 1.00 11.04 H new ATOM 0 HG13 VAL A 31 6.860 0.912 5.400 1.00 11.04 H new ATOM 0 HG21 VAL A 31 5.005 2.055 3.214 1.00 2.33 H new ATOM 0 HG22 VAL A 31 4.700 0.518 4.058 1.00 2.33 H new ATOM 0 HG23 VAL A 31 3.459 1.794 4.056 1.00 2.33 H new ATOM 458 N ASN A 32 5.070 1.226 8.922 1.00 21.33 N ATOM 459 CA ASN A 32 5.741 1.539 10.178 1.00 42.41 C ATOM 460 C ASN A 32 5.141 2.787 10.819 1.00 70.52 C ATOM 461 O ASN A 32 4.452 2.704 11.837 1.00 53.11 O ATOM 462 CB ASN A 32 7.239 1.743 9.944 1.00 72.21 C ATOM 463 CG ASN A 32 7.847 0.642 9.097 1.00 24.22 C ATOM 464 OD1 ASN A 32 7.967 0.893 7.798 1.00 72.42 O flip ATOM 465 ND2 ASN A 32 8.204 -0.421 9.604 1.00 64.52 N flip ATOM 0 H ASN A 32 4.483 0.392 8.954 1.00 21.33 H new ATOM 0 HA ASN A 32 5.597 0.698 10.857 1.00 42.41 H new ATOM 0 HB2 ASN A 32 7.400 2.704 9.456 1.00 72.21 H new ATOM 0 HB3 ASN A 32 7.752 1.784 10.905 1.00 72.21 H new ATOM 0 HD21 ASN A 32 8.093 -0.570 10.607 1.00 64.52 H new ATOM 0 HD22 ASN A 32 8.611 -1.153 9.021 1.00 64.52 H new ATOM 471 N ASP A 33 5.406 3.940 10.217 1.00 21.34 N ATOM 472 CA ASP A 33 4.890 5.206 10.726 1.00 72.14 C ATOM 473 C ASP A 33 4.193 5.993 9.622 1.00 40.33 C ATOM 474 O ASP A 33 3.368 6.865 9.894 1.00 63.04 O ATOM 475 CB ASP A 33 6.025 6.038 11.326 1.00 2.21 C ATOM 476 CG ASP A 33 5.534 7.014 12.378 1.00 31.42 C ATOM 477 OD1 ASP A 33 4.689 6.617 13.207 1.00 22.00 O ATOM 478 OD2 ASP A 33 5.996 8.173 12.372 1.00 11.21 O ATOM 0 H ASP A 33 5.976 4.025 9.375 1.00 21.34 H new ATOM 0 HA ASP A 33 4.160 4.986 11.505 1.00 72.14 H new ATOM 0 HB2 ASP A 33 6.765 5.372 11.770 1.00 2.21 H new ATOM 0 HB3 ASP A 33 6.528 6.588 10.531 1.00 2.21 H new ATOM 482 N ARG A 34 4.532 5.681 8.375 1.00 5.23 N ATOM 483 CA ARG A 34 3.940 6.361 7.229 1.00 44.34 C ATOM 484 C ARG A 34 2.878 5.489 6.568 1.00 70.44 C ATOM 485 O ARG A 34 3.165 4.379 6.119 1.00 3.01 O ATOM 486 CB ARG A 34 5.022 6.727 6.212 1.00 73.02 C ATOM 487 CG ARG A 34 6.404 6.887 6.824 1.00 12.25 C ATOM 488 CD ARG A 34 7.490 6.857 5.760 1.00 14.22 C ATOM 489 NE ARG A 34 7.872 8.199 5.328 1.00 41.34 N ATOM 490 CZ ARG A 34 8.655 8.441 4.283 1.00 21.13 C ATOM 491 NH1 ARG A 34 9.134 7.436 3.564 1.00 75.52 N ATOM 492 NH2 ARG A 34 8.957 9.690 3.953 1.00 51.41 N ATOM 0 H ARG A 34 5.213 4.962 8.133 1.00 5.23 H new ATOM 0 HA ARG A 34 3.463 7.274 7.586 1.00 44.34 H new ATOM 0 HB2 ARG A 34 5.062 5.956 5.443 1.00 73.02 H new ATOM 0 HB3 ARG A 34 4.743 7.657 5.717 1.00 73.02 H new ATOM 0 HG2 ARG A 34 6.454 7.829 7.371 1.00 12.25 H new ATOM 0 HG3 ARG A 34 6.578 6.089 7.546 1.00 12.25 H new ATOM 0 HD2 ARG A 34 8.366 6.339 6.151 1.00 14.22 H new ATOM 0 HD3 ARG A 34 7.139 6.286 4.900 1.00 14.22 H new ATOM 0 HE ARG A 34 7.518 8.995 5.859 1.00 41.34 H new ATOM 0 HH11 ARG A 34 8.901 6.475 3.813 1.00 75.52 H new ATOM 0 HH12 ARG A 34 9.735 7.624 2.762 1.00 75.52 H new ATOM 0 HH21 ARG A 34 8.588 10.466 4.502 1.00 51.41 H new ATOM 0 HH22 ARG A 34 9.559 9.874 3.150 1.00 51.41 H new ATOM 503 N GLN A 35 1.651 5.997 6.513 1.00 41.24 N ATOM 504 CA GLN A 35 0.547 5.262 5.907 1.00 2.11 C ATOM 505 C GLN A 35 -0.147 6.105 4.841 1.00 61.23 C ATOM 506 O GLN A 35 -0.280 7.319 4.985 1.00 70.52 O ATOM 507 CB GLN A 35 -0.461 4.842 6.978 1.00 64.20 C ATOM 508 CG GLN A 35 0.110 4.847 8.387 1.00 22.01 C ATOM 509 CD GLN A 35 -0.909 4.432 9.431 1.00 12.20 C ATOM 510 OE1 GLN A 35 -2.112 4.425 9.172 1.00 5.31 O ATOM 511 NE2 GLN A 35 -0.429 4.083 10.619 1.00 22.42 N ATOM 0 H GLN A 35 1.396 6.914 6.880 1.00 41.24 H new ATOM 0 HA GLN A 35 0.954 4.370 5.431 1.00 2.11 H new ATOM 0 HB2 GLN A 35 -1.319 5.513 6.940 1.00 64.20 H new ATOM 0 HB3 GLN A 35 -0.828 3.842 6.747 1.00 64.20 H new ATOM 0 HG2 GLN A 35 0.965 4.172 8.431 1.00 22.01 H new ATOM 0 HG3 GLN A 35 0.479 5.845 8.622 1.00 22.01 H new ATOM 0 HE21 GLN A 35 0.577 4.104 10.789 1.00 22.42 H new ATOM 0 HE22 GLN A 35 -1.066 3.794 11.361 1.00 22.42 H new ATOM 518 N GLY A 36 -0.588 5.450 3.772 1.00 22.41 N ATOM 519 CA GLY A 36 -1.263 6.154 2.697 1.00 44.02 C ATOM 520 C GLY A 36 -1.944 5.211 1.724 1.00 41.23 C ATOM 521 O GLY A 36 -1.939 3.996 1.920 1.00 1.05 O ATOM 0 H GLY A 36 -0.490 4.445 3.631 1.00 22.41 H new ATOM 0 HA2 GLY A 36 -2.004 6.832 3.120 1.00 44.02 H new ATOM 0 HA3 GLY A 36 -0.540 6.767 2.158 1.00 44.02 H new ATOM 525 N PHE A 37 -2.533 5.773 0.674 1.00 32.25 N ATOM 526 CA PHE A 37 -3.224 4.975 -0.333 1.00 53.14 C ATOM 527 C PHE A 37 -2.249 4.477 -1.395 1.00 15.04 C ATOM 528 O PHE A 37 -1.414 5.235 -1.891 1.00 33.14 O ATOM 529 CB PHE A 37 -4.336 5.794 -0.989 1.00 45.25 C ATOM 530 CG PHE A 37 -5.558 5.942 -0.128 1.00 4.11 C ATOM 531 CD1 PHE A 37 -5.669 6.994 0.767 1.00 73.54 C ATOM 532 CD2 PHE A 37 -6.598 5.030 -0.216 1.00 63.23 C ATOM 533 CE1 PHE A 37 -6.792 7.133 1.560 1.00 61.35 C ATOM 534 CE2 PHE A 37 -7.724 5.164 0.575 1.00 41.21 C ATOM 535 CZ PHE A 37 -7.821 6.216 1.465 1.00 12.05 C ATOM 0 H PHE A 37 -2.546 6.778 0.498 1.00 32.25 H new ATOM 0 HA PHE A 37 -3.665 4.111 0.164 1.00 53.14 H new ATOM 0 HB2 PHE A 37 -3.951 6.784 -1.234 1.00 45.25 H new ATOM 0 HB3 PHE A 37 -4.619 5.321 -1.929 1.00 45.25 H new ATOM 0 HD1 PHE A 37 -4.868 7.714 0.846 1.00 73.54 H new ATOM 0 HD2 PHE A 37 -6.528 4.206 -0.910 1.00 63.23 H new ATOM 0 HE1 PHE A 37 -6.865 7.958 2.253 1.00 61.35 H new ATOM 0 HE2 PHE A 37 -8.527 4.446 0.497 1.00 41.21 H new ATOM 0 HZ PHE A 37 -8.699 6.321 2.085 1.00 12.05 H new ATOM 544 N VAL A 38 -2.361 3.199 -1.741 1.00 14.03 N ATOM 545 CA VAL A 38 -1.490 2.599 -2.746 1.00 60.51 C ATOM 546 C VAL A 38 -2.270 1.662 -3.660 1.00 30.12 C ATOM 547 O VAL A 38 -3.318 1.129 -3.295 1.00 32.42 O ATOM 548 CB VAL A 38 -0.335 1.818 -2.092 1.00 34.30 C ATOM 549 CG1 VAL A 38 0.745 2.770 -1.603 1.00 74.22 C ATOM 550 CG2 VAL A 38 -0.853 0.956 -0.952 1.00 73.52 C ATOM 0 H VAL A 38 -3.046 2.558 -1.340 1.00 14.03 H new ATOM 0 HA VAL A 38 -1.077 3.417 -3.337 1.00 60.51 H new ATOM 0 HB VAL A 38 0.106 1.161 -2.842 1.00 34.30 H new ATOM 0 HG11 VAL A 38 1.552 2.199 -1.144 1.00 74.22 H new ATOM 0 HG12 VAL A 38 1.137 3.340 -2.446 1.00 74.22 H new ATOM 0 HG13 VAL A 38 0.321 3.454 -0.868 1.00 74.22 H new ATOM 0 HG21 VAL A 38 -0.023 0.411 -0.502 1.00 73.52 H new ATOM 0 HG22 VAL A 38 -1.321 1.591 -0.200 1.00 73.52 H new ATOM 0 HG23 VAL A 38 -1.586 0.247 -1.336 1.00 73.52 H new ATOM 560 N PRO A 39 -1.749 1.454 -4.878 1.00 20.14 N ATOM 561 CA PRO A 39 -2.380 0.579 -5.871 1.00 14.21 C ATOM 562 C PRO A 39 -2.302 -0.893 -5.479 1.00 23.33 C ATOM 563 O PRO A 39 -1.215 -1.463 -5.383 1.00 25.24 O ATOM 564 CB PRO A 39 -1.566 0.838 -7.141 1.00 12.01 C ATOM 565 CG PRO A 39 -0.236 1.298 -6.651 1.00 64.11 C ATOM 566 CD PRO A 39 -0.502 2.057 -5.381 1.00 65.31 C ATOM 0 HA PRO A 39 -3.444 0.788 -5.981 1.00 14.21 H new ATOM 0 HB2 PRO A 39 -1.475 -0.065 -7.744 1.00 12.01 H new ATOM 0 HB3 PRO A 39 -2.040 1.593 -7.768 1.00 12.01 H new ATOM 0 HG2 PRO A 39 0.426 0.452 -6.468 1.00 64.11 H new ATOM 0 HG3 PRO A 39 0.254 1.933 -7.390 1.00 64.11 H new ATOM 0 HD2 PRO A 39 0.315 1.945 -4.668 1.00 65.31 H new ATOM 0 HD3 PRO A 39 -0.619 3.125 -5.568 1.00 65.31 H new ATOM 571 N ALA A 40 -3.462 -1.503 -5.254 1.00 11.41 N ATOM 572 CA ALA A 40 -3.524 -2.909 -4.875 1.00 5.12 C ATOM 573 C ALA A 40 -2.757 -3.779 -5.865 1.00 63.22 C ATOM 574 O ALA A 40 -2.404 -4.918 -5.561 1.00 52.11 O ATOM 575 CB ALA A 40 -4.972 -3.365 -4.779 1.00 62.35 C ATOM 0 H ALA A 40 -4.371 -1.045 -5.328 1.00 11.41 H new ATOM 0 HA ALA A 40 -3.054 -3.018 -3.897 1.00 5.12 H new ATOM 0 HB1 ALA A 40 -5.004 -4.417 -4.495 1.00 62.35 H new ATOM 0 HB2 ALA A 40 -5.492 -2.770 -4.028 1.00 62.35 H new ATOM 0 HB3 ALA A 40 -5.459 -3.235 -5.745 1.00 62.35 H new ATOM 581 N ALA A 41 -2.505 -3.235 -7.051 1.00 24.23 N ATOM 582 CA ALA A 41 -1.779 -3.962 -8.085 1.00 21.13 C ATOM 583 C ALA A 41 -0.326 -4.189 -7.681 1.00 5.30 C ATOM 584 O ALA A 41 0.308 -5.148 -8.120 1.00 51.21 O ATOM 585 CB ALA A 41 -1.850 -3.211 -9.407 1.00 25.11 C ATOM 0 H ALA A 41 -2.793 -2.294 -7.319 1.00 24.23 H new ATOM 0 HA ALA A 41 -2.251 -4.937 -8.207 1.00 21.13 H new ATOM 0 HB1 ALA A 41 -1.304 -3.765 -10.170 1.00 25.11 H new ATOM 0 HB2 ALA A 41 -2.892 -3.106 -9.711 1.00 25.11 H new ATOM 0 HB3 ALA A 41 -1.406 -2.223 -9.288 1.00 25.11 H new ATOM 591 N TYR A 42 0.195 -3.299 -6.844 1.00 43.13 N ATOM 592 CA TYR A 42 1.574 -3.400 -6.382 1.00 31.31 C ATOM 593 C TYR A 42 1.663 -4.232 -5.107 1.00 64.33 C ATOM 594 O TYR A 42 2.752 -4.587 -4.657 1.00 22.12 O ATOM 595 CB TYR A 42 2.155 -2.007 -6.136 1.00 0.22 C ATOM 596 CG TYR A 42 2.464 -1.246 -7.406 1.00 63.30 C ATOM 597 CD1 TYR A 42 1.526 -1.150 -8.427 1.00 31.44 C ATOM 598 CD2 TYR A 42 3.693 -0.623 -7.585 1.00 45.23 C ATOM 599 CE1 TYR A 42 1.804 -0.458 -9.589 1.00 15.43 C ATOM 600 CE2 TYR A 42 3.979 0.074 -8.743 1.00 43.02 C ATOM 601 CZ TYR A 42 3.032 0.153 -9.742 1.00 1.14 C ATOM 602 OH TYR A 42 3.312 0.845 -10.898 1.00 3.14 O ATOM 0 H TYR A 42 -0.317 -2.499 -6.472 1.00 43.13 H new ATOM 0 HA TYR A 42 2.154 -3.897 -7.159 1.00 31.31 H new ATOM 0 HB2 TYR A 42 1.450 -1.429 -5.539 1.00 0.22 H new ATOM 0 HB3 TYR A 42 3.068 -2.102 -5.548 1.00 0.22 H new ATOM 0 HD1 TYR A 42 0.563 -1.625 -8.309 1.00 31.44 H new ATOM 0 HD2 TYR A 42 4.438 -0.685 -6.805 1.00 45.23 H new ATOM 0 HE1 TYR A 42 1.065 -0.395 -10.374 1.00 15.43 H new ATOM 0 HE2 TYR A 42 4.939 0.554 -8.865 1.00 43.02 H new ATOM 0 HH TYR A 42 4.218 1.215 -10.846 1.00 3.14 H new ATOM 611 N VAL A 43 0.506 -4.542 -4.529 1.00 42.13 N ATOM 612 CA VAL A 43 0.451 -5.334 -3.306 1.00 21.30 C ATOM 613 C VAL A 43 -0.513 -6.506 -3.454 1.00 22.21 C ATOM 614 O VAL A 43 -1.149 -6.674 -4.494 1.00 23.41 O ATOM 615 CB VAL A 43 0.019 -4.478 -2.101 1.00 61.01 C ATOM 616 CG1 VAL A 43 1.110 -3.484 -1.734 1.00 52.44 C ATOM 617 CG2 VAL A 43 -1.289 -3.760 -2.399 1.00 52.42 C ATOM 0 H VAL A 43 -0.405 -4.257 -4.888 1.00 42.13 H new ATOM 0 HA VAL A 43 1.457 -5.714 -3.130 1.00 21.30 H new ATOM 0 HB VAL A 43 -0.141 -5.137 -1.248 1.00 61.01 H new ATOM 0 HG11 VAL A 43 0.787 -2.888 -0.881 1.00 52.44 H new ATOM 0 HG12 VAL A 43 2.022 -4.023 -1.476 1.00 52.44 H new ATOM 0 HG13 VAL A 43 1.304 -2.828 -2.582 1.00 52.44 H new ATOM 0 HG21 VAL A 43 -1.579 -3.160 -1.537 1.00 52.42 H new ATOM 0 HG22 VAL A 43 -1.159 -3.111 -3.265 1.00 52.42 H new ATOM 0 HG23 VAL A 43 -2.067 -4.494 -2.609 1.00 52.42 H new ATOM 627 N LYS A 44 -0.617 -7.315 -2.405 1.00 25.23 N ATOM 628 CA LYS A 44 -1.505 -8.472 -2.416 1.00 61.31 C ATOM 629 C LYS A 44 -1.572 -9.119 -1.037 1.00 54.04 C ATOM 630 O LYS A 44 -0.554 -9.270 -0.360 1.00 43.50 O ATOM 631 CB LYS A 44 -1.030 -9.496 -3.450 1.00 61.13 C ATOM 632 CG LYS A 44 -1.447 -10.921 -3.129 1.00 24.33 C ATOM 633 CD LYS A 44 -0.343 -11.676 -2.408 1.00 24.33 C ATOM 634 CE LYS A 44 0.857 -11.909 -3.314 1.00 21.35 C ATOM 635 NZ LYS A 44 0.943 -13.326 -3.767 1.00 4.34 N ATOM 0 H LYS A 44 -0.097 -7.191 -1.536 1.00 25.23 H new ATOM 0 HA LYS A 44 -2.504 -8.130 -2.686 1.00 61.31 H new ATOM 0 HB2 LYS A 44 -1.425 -9.222 -4.428 1.00 61.13 H new ATOM 0 HB3 LYS A 44 0.057 -9.451 -3.521 1.00 61.13 H new ATOM 0 HG2 LYS A 44 -2.344 -10.908 -2.510 1.00 24.33 H new ATOM 0 HG3 LYS A 44 -1.703 -11.443 -4.051 1.00 24.33 H new ATOM 0 HD2 LYS A 44 -0.032 -11.114 -1.527 1.00 24.33 H new ATOM 0 HD3 LYS A 44 -0.726 -12.634 -2.056 1.00 24.33 H new ATOM 0 HE2 LYS A 44 0.789 -11.254 -4.182 1.00 21.35 H new ATOM 0 HE3 LYS A 44 1.770 -11.641 -2.783 1.00 21.35 H new ATOM 0 HZ1 LYS A 44 1.773 -13.444 -4.382 1.00 4.34 H new ATOM 0 HZ2 LYS A 44 1.033 -13.950 -2.940 1.00 4.34 H new ATOM 0 HZ3 LYS A 44 0.083 -13.574 -4.296 1.00 4.34 H new ATOM 645 N LYS A 45 -2.775 -9.504 -0.626 1.00 45.11 N ATOM 646 CA LYS A 45 -2.975 -10.138 0.672 1.00 65.43 C ATOM 647 C LYS A 45 -2.106 -11.384 0.808 1.00 31.41 C ATOM 648 O LYS A 45 -1.733 -12.005 -0.189 1.00 52.45 O ATOM 649 CB LYS A 45 -4.448 -10.508 0.861 1.00 23.33 C ATOM 650 CG LYS A 45 -5.181 -9.607 1.840 1.00 73.22 C ATOM 651 CD LYS A 45 -6.530 -10.188 2.229 1.00 43.51 C ATOM 652 CE LYS A 45 -7.631 -9.141 2.149 1.00 3.23 C ATOM 653 NZ LYS A 45 -8.914 -9.721 1.664 1.00 54.13 N ATOM 0 H LYS A 45 -3.628 -9.388 -1.174 1.00 45.11 H new ATOM 0 HA LYS A 45 -2.684 -9.426 1.445 1.00 65.43 H new ATOM 0 HB2 LYS A 45 -4.951 -10.466 -0.105 1.00 23.33 H new ATOM 0 HB3 LYS A 45 -4.513 -11.539 1.210 1.00 23.33 H new ATOM 0 HG2 LYS A 45 -4.572 -9.468 2.733 1.00 73.22 H new ATOM 0 HG3 LYS A 45 -5.323 -8.623 1.394 1.00 73.22 H new ATOM 0 HD2 LYS A 45 -6.771 -11.023 1.571 1.00 43.51 H new ATOM 0 HD3 LYS A 45 -6.478 -10.586 3.242 1.00 43.51 H new ATOM 0 HE2 LYS A 45 -7.782 -8.697 3.133 1.00 3.23 H new ATOM 0 HE3 LYS A 45 -7.320 -8.338 1.481 1.00 3.23 H new ATOM 0 HZ1 LYS A 45 -9.638 -8.976 1.624 1.00 54.13 H new ATOM 0 HZ2 LYS A 45 -8.777 -10.122 0.714 1.00 54.13 H new ATOM 0 HZ3 LYS A 45 -9.224 -10.470 2.315 1.00 54.13 H new ATOM 663 N LEU A 46 -1.788 -11.746 2.046 1.00 14.35 N ATOM 664 CA LEU A 46 -0.964 -12.920 2.313 1.00 12.54 C ATOM 665 C LEU A 46 -1.723 -13.939 3.156 1.00 2.24 C ATOM 666 O LEU A 46 -2.896 -13.743 3.477 1.00 2.03 O ATOM 667 CB LEU A 46 0.327 -12.510 3.026 1.00 25.54 C ATOM 668 CG LEU A 46 1.222 -11.522 2.277 1.00 51.34 C ATOM 669 CD1 LEU A 46 2.167 -10.822 3.242 1.00 63.13 C ATOM 670 CD2 LEU A 46 2.006 -12.234 1.184 1.00 22.23 C ATOM 0 H LEU A 46 -2.088 -11.243 2.881 1.00 14.35 H new ATOM 0 HA LEU A 46 -0.714 -13.382 1.358 1.00 12.54 H new ATOM 0 HB2 LEU A 46 0.064 -12.073 3.989 1.00 25.54 H new ATOM 0 HB3 LEU A 46 0.906 -13.410 3.232 1.00 25.54 H new ATOM 0 HG LEU A 46 0.587 -10.769 1.809 1.00 51.34 H new ATOM 0 HD11 LEU A 46 2.796 -10.123 2.692 1.00 63.13 H new ATOM 0 HD12 LEU A 46 1.588 -10.279 3.989 1.00 63.13 H new ATOM 0 HD13 LEU A 46 2.795 -11.562 3.738 1.00 63.13 H new ATOM 0 HD21 LEU A 46 2.637 -11.515 0.662 1.00 22.23 H new ATOM 0 HD22 LEU A 46 2.630 -13.009 1.630 1.00 22.23 H new ATOM 0 HD23 LEU A 46 1.313 -12.689 0.477 1.00 22.23 H new ATOM 681 N ASP A 47 -1.047 -15.024 3.514 1.00 75.24 N ATOM 682 CA ASP A 47 -1.657 -16.073 4.324 1.00 12.33 C ATOM 683 C ASP A 47 -1.351 -15.863 5.804 1.00 73.34 C ATOM 684 O ASP A 47 -0.261 -16.186 6.275 1.00 33.32 O ATOM 685 CB ASP A 47 -1.157 -17.448 3.877 1.00 51.44 C ATOM 686 CG ASP A 47 -2.149 -18.552 4.184 1.00 0.22 C ATOM 687 OD1 ASP A 47 -2.454 -18.761 5.376 1.00 45.30 O ATOM 688 OD2 ASP A 47 -2.621 -19.207 3.231 1.00 72.21 O ATOM 0 H ASP A 47 -0.076 -15.201 3.256 1.00 75.24 H new ATOM 0 HA ASP A 47 -2.737 -16.025 4.184 1.00 12.33 H new ATOM 0 HB2 ASP A 47 -0.959 -17.429 2.805 1.00 51.44 H new ATOM 0 HB3 ASP A 47 -0.211 -17.666 4.372 1.00 51.44 H new ATOM 692 N SER A 48 -2.321 -15.319 6.532 1.00 20.33 N ATOM 693 CA SER A 48 -2.154 -15.062 7.958 1.00 13.14 C ATOM 694 C SER A 48 -2.938 -16.074 8.788 1.00 2.45 C ATOM 695 O SER A 48 -4.069 -15.813 9.199 1.00 74.11 O ATOM 696 CB SER A 48 -2.611 -13.642 8.298 1.00 3.21 C ATOM 697 OG SER A 48 -4.022 -13.530 8.231 1.00 23.43 O ATOM 0 H SER A 48 -3.230 -15.048 6.158 1.00 20.33 H new ATOM 0 HA SER A 48 -1.096 -15.163 8.199 1.00 13.14 H new ATOM 0 HB2 SER A 48 -2.269 -13.376 9.298 1.00 3.21 H new ATOM 0 HB3 SER A 48 -2.154 -12.934 7.607 1.00 3.21 H new ATOM 0 HG SER A 48 -4.432 -14.339 8.602 1.00 23.43 H new ATOM 702 N GLY A 49 -2.330 -17.230 9.029 1.00 70.32 N ATOM 703 CA GLY A 49 -2.984 -18.265 9.809 1.00 5.25 C ATOM 704 C GLY A 49 -3.862 -17.696 10.906 1.00 55.03 C ATOM 705 O GLY A 49 -5.023 -18.081 11.047 1.00 3.33 O ATOM 0 H GLY A 49 -1.395 -17.469 8.698 1.00 70.32 H new ATOM 0 HA2 GLY A 49 -3.589 -18.886 9.148 1.00 5.25 H new ATOM 0 HA3 GLY A 49 -2.229 -18.914 10.252 1.00 5.25 H new ATOM 709 N THR A 50 -3.305 -16.777 11.689 1.00 65.31 N ATOM 710 CA THR A 50 -4.043 -16.157 12.782 1.00 11.40 C ATOM 711 C THR A 50 -5.339 -15.527 12.283 1.00 73.11 C ATOM 712 O THR A 50 -6.388 -15.659 12.913 1.00 40.44 O ATOM 713 CB THR A 50 -3.200 -15.077 13.487 1.00 71.44 C ATOM 714 OG1 THR A 50 -3.989 -14.411 14.480 1.00 14.11 O ATOM 715 CG2 THR A 50 -2.674 -14.061 12.486 1.00 13.05 C ATOM 0 H THR A 50 -2.346 -16.446 11.586 1.00 65.31 H new ATOM 0 HA THR A 50 -4.277 -16.948 13.494 1.00 11.40 H new ATOM 0 HB THR A 50 -2.351 -15.565 13.965 1.00 71.44 H new ATOM 0 HG1 THR A 50 -3.446 -13.727 14.925 1.00 14.11 H new ATOM 0 HG21 THR A 50 -2.082 -13.309 13.008 1.00 13.05 H new ATOM 0 HG22 THR A 50 -2.050 -14.566 11.748 1.00 13.05 H new ATOM 0 HG23 THR A 50 -3.512 -13.578 11.983 1.00 13.05 H new ATOM 723 N GLY A 51 -5.259 -14.842 11.146 1.00 62.13 N ATOM 724 CA GLY A 51 -6.434 -14.203 10.582 1.00 30.13 C ATOM 725 C GLY A 51 -6.338 -12.690 10.605 1.00 73.53 C ATOM 726 O GLY A 51 -7.355 -11.997 10.647 1.00 14.52 O ATOM 0 H GLY A 51 -4.403 -14.718 10.606 1.00 62.13 H new ATOM 0 HA2 GLY A 51 -6.569 -14.540 9.554 1.00 30.13 H new ATOM 0 HA3 GLY A 51 -7.317 -14.517 11.139 1.00 30.13 H new ATOM 730 N LYS A 52 -5.113 -12.176 10.579 1.00 31.13 N ATOM 731 CA LYS A 52 -4.887 -10.736 10.597 1.00 32.50 C ATOM 732 C LYS A 52 -5.086 -10.136 9.209 1.00 11.10 C ATOM 733 O LYS A 52 -5.501 -10.827 8.278 1.00 52.20 O ATOM 734 CB LYS A 52 -3.475 -10.427 11.101 1.00 11.14 C ATOM 735 CG LYS A 52 -3.345 -10.474 12.613 1.00 72.32 C ATOM 736 CD LYS A 52 -3.894 -9.214 13.260 1.00 74.25 C ATOM 737 CE LYS A 52 -2.992 -8.017 12.999 1.00 43.14 C ATOM 738 NZ LYS A 52 -2.789 -7.198 14.226 1.00 41.14 N ATOM 0 H LYS A 52 -4.261 -12.736 10.545 1.00 31.13 H new ATOM 0 HA LYS A 52 -5.614 -10.288 11.274 1.00 32.50 H new ATOM 0 HB2 LYS A 52 -2.778 -11.141 10.662 1.00 11.14 H new ATOM 0 HB3 LYS A 52 -3.181 -9.438 10.750 1.00 11.14 H new ATOM 0 HG2 LYS A 52 -3.878 -11.343 12.998 1.00 72.32 H new ATOM 0 HG3 LYS A 52 -2.297 -10.597 12.885 1.00 72.32 H new ATOM 0 HD2 LYS A 52 -4.892 -9.010 12.873 1.00 74.25 H new ATOM 0 HD3 LYS A 52 -3.994 -9.369 14.334 1.00 74.25 H new ATOM 0 HE2 LYS A 52 -2.027 -8.363 12.630 1.00 43.14 H new ATOM 0 HE3 LYS A 52 -3.429 -7.397 12.216 1.00 43.14 H new ATOM 0 HZ1 LYS A 52 -2.169 -6.392 14.007 1.00 41.14 H new ATOM 0 HZ2 LYS A 52 -3.707 -6.846 14.564 1.00 41.14 H new ATOM 0 HZ3 LYS A 52 -2.349 -7.783 14.965 1.00 41.14 H new ATOM 748 N GLU A 53 -4.786 -8.848 9.078 1.00 35.05 N ATOM 749 CA GLU A 53 -4.931 -8.157 7.801 1.00 63.13 C ATOM 750 C GLU A 53 -3.590 -7.609 7.323 1.00 13.42 C ATOM 751 O GLU A 53 -3.216 -6.481 7.648 1.00 24.22 O ATOM 752 CB GLU A 53 -5.945 -7.017 7.925 1.00 64.13 C ATOM 753 CG GLU A 53 -7.146 -7.363 8.790 1.00 62.11 C ATOM 754 CD GLU A 53 -8.460 -6.955 8.153 1.00 74.45 C ATOM 755 OE1 GLU A 53 -8.893 -5.804 8.373 1.00 31.12 O ATOM 756 OE2 GLU A 53 -9.055 -7.785 7.435 1.00 62.43 O ATOM 0 H GLU A 53 -4.442 -8.262 9.839 1.00 35.05 H new ATOM 0 HA GLU A 53 -5.292 -8.877 7.067 1.00 63.13 H new ATOM 0 HB2 GLU A 53 -5.447 -6.142 8.343 1.00 64.13 H new ATOM 0 HB3 GLU A 53 -6.292 -6.741 6.929 1.00 64.13 H new ATOM 0 HG2 GLU A 53 -7.156 -8.436 8.979 1.00 62.11 H new ATOM 0 HG3 GLU A 53 -7.047 -6.870 9.757 1.00 62.11 H new ATOM 761 N LEU A 54 -2.870 -8.415 6.551 1.00 54.51 N ATOM 762 CA LEU A 54 -1.569 -8.011 6.028 1.00 33.32 C ATOM 763 C LEU A 54 -1.545 -8.094 4.505 1.00 24.23 C ATOM 764 O LEU A 54 -2.373 -8.773 3.896 1.00 20.31 O ATOM 765 CB LEU A 54 -0.465 -8.893 6.614 1.00 62.43 C ATOM 766 CG LEU A 54 -0.915 -10.238 7.188 1.00 44.44 C ATOM 767 CD1 LEU A 54 0.212 -11.256 7.107 1.00 22.24 C ATOM 768 CD2 LEU A 54 -1.385 -10.073 8.626 1.00 73.53 C ATOM 0 H LEU A 54 -3.164 -9.351 6.273 1.00 54.51 H new ATOM 0 HA LEU A 54 -1.393 -6.976 6.321 1.00 33.32 H new ATOM 0 HB2 LEU A 54 0.274 -9.082 5.835 1.00 62.43 H new ATOM 0 HB3 LEU A 54 0.039 -8.334 7.403 1.00 62.43 H new ATOM 0 HG LEU A 54 -1.752 -10.604 6.593 1.00 44.44 H new ATOM 0 HD11 LEU A 54 -0.126 -12.207 7.520 1.00 22.24 H new ATOM 0 HD12 LEU A 54 0.502 -11.395 6.066 1.00 22.24 H new ATOM 0 HD13 LEU A 54 1.068 -10.897 7.678 1.00 22.24 H new ATOM 0 HD21 LEU A 54 -1.701 -11.039 9.019 1.00 73.53 H new ATOM 0 HD22 LEU A 54 -0.568 -9.685 9.234 1.00 73.53 H new ATOM 0 HD23 LEU A 54 -2.223 -9.377 8.657 1.00 73.53 H new ATOM 779 N VAL A 55 -0.591 -7.400 3.894 1.00 14.14 N ATOM 780 CA VAL A 55 -0.457 -7.397 2.442 1.00 13.21 C ATOM 781 C VAL A 55 0.987 -7.141 2.024 1.00 5.21 C ATOM 782 O VAL A 55 1.549 -6.082 2.309 1.00 34.52 O ATOM 783 CB VAL A 55 -1.363 -6.332 1.797 1.00 21.41 C ATOM 784 CG1 VAL A 55 -2.672 -6.954 1.334 1.00 12.41 C ATOM 785 CG2 VAL A 55 -1.621 -5.192 2.770 1.00 61.00 C ATOM 0 H VAL A 55 0.101 -6.832 4.382 1.00 14.14 H new ATOM 0 HA VAL A 55 -0.764 -8.383 2.094 1.00 13.21 H new ATOM 0 HB VAL A 55 -0.852 -5.926 0.924 1.00 21.41 H new ATOM 0 HG11 VAL A 55 -3.299 -6.186 0.881 1.00 12.41 H new ATOM 0 HG12 VAL A 55 -2.465 -7.733 0.600 1.00 12.41 H new ATOM 0 HG13 VAL A 55 -3.191 -7.389 2.189 1.00 12.41 H new ATOM 0 HG21 VAL A 55 -2.263 -4.449 2.297 1.00 61.00 H new ATOM 0 HG22 VAL A 55 -2.111 -5.580 3.663 1.00 61.00 H new ATOM 0 HG23 VAL A 55 -0.674 -4.729 3.048 1.00 61.00 H new ATOM 795 N LEU A 56 1.583 -8.116 1.346 1.00 1.15 N ATOM 796 CA LEU A 56 2.962 -7.996 0.887 1.00 14.23 C ATOM 797 C LEU A 56 3.052 -7.095 -0.341 1.00 64.21 C ATOM 798 O LEU A 56 2.092 -6.968 -1.101 1.00 71.35 O ATOM 799 CB LEU A 56 3.534 -9.377 0.562 1.00 32.00 C ATOM 800 CG LEU A 56 4.950 -9.399 -0.012 1.00 31.30 C ATOM 801 CD1 LEU A 56 5.741 -10.564 0.562 1.00 52.44 C ATOM 802 CD2 LEU A 56 4.909 -9.478 -1.532 1.00 64.54 C ATOM 0 H LEU A 56 1.133 -8.998 1.102 1.00 1.15 H new ATOM 0 HA LEU A 56 3.547 -7.546 1.689 1.00 14.23 H new ATOM 0 HB2 LEU A 56 3.523 -9.976 1.473 1.00 32.00 H new ATOM 0 HB3 LEU A 56 2.868 -9.866 -0.149 1.00 32.00 H new ATOM 0 HG LEU A 56 5.450 -8.472 0.271 1.00 31.30 H new ATOM 0 HD11 LEU A 56 6.747 -10.563 0.142 1.00 52.44 H new ATOM 0 HD12 LEU A 56 5.801 -10.464 1.646 1.00 52.44 H new ATOM 0 HD13 LEU A 56 5.243 -11.501 0.311 1.00 52.44 H new ATOM 0 HD21 LEU A 56 5.926 -9.493 -1.923 1.00 64.54 H new ATOM 0 HD22 LEU A 56 4.390 -10.388 -1.835 1.00 64.54 H new ATOM 0 HD23 LEU A 56 4.381 -8.610 -1.927 1.00 64.54 H new ATOM 813 N ALA A 57 4.211 -6.473 -0.529 1.00 64.41 N ATOM 814 CA ALA A 57 4.426 -5.588 -1.667 1.00 55.43 C ATOM 815 C ALA A 57 5.053 -6.340 -2.836 1.00 11.43 C ATOM 816 O ALA A 57 6.198 -6.786 -2.759 1.00 31.01 O ATOM 817 CB ALA A 57 5.304 -4.413 -1.261 1.00 11.32 C ATOM 0 H ALA A 57 5.015 -6.566 0.092 1.00 64.41 H new ATOM 0 HA ALA A 57 3.457 -5.209 -1.991 1.00 55.43 H new ATOM 0 HB1 ALA A 57 5.457 -3.759 -2.120 1.00 11.32 H new ATOM 0 HB2 ALA A 57 4.817 -3.854 -0.462 1.00 11.32 H new ATOM 0 HB3 ALA A 57 6.267 -4.783 -0.910 1.00 11.32 H new ATOM 823 N LEU A 58 4.295 -6.477 -3.919 1.00 41.35 N ATOM 824 CA LEU A 58 4.776 -7.176 -5.105 1.00 12.13 C ATOM 825 C LEU A 58 5.702 -6.283 -5.926 1.00 51.22 C ATOM 826 O LEU A 58 6.726 -6.736 -6.437 1.00 62.12 O ATOM 827 CB LEU A 58 3.597 -7.634 -5.965 1.00 3.44 C ATOM 828 CG LEU A 58 2.282 -7.878 -5.225 1.00 43.01 C ATOM 829 CD1 LEU A 58 1.218 -8.394 -6.181 1.00 22.12 C ATOM 830 CD2 LEU A 58 2.490 -8.856 -4.078 1.00 60.21 C ATOM 0 H LEU A 58 3.345 -6.113 -4.000 1.00 41.35 H new ATOM 0 HA LEU A 58 5.340 -8.049 -4.777 1.00 12.13 H new ATOM 0 HB2 LEU A 58 3.423 -6.884 -6.737 1.00 3.44 H new ATOM 0 HB3 LEU A 58 3.881 -8.555 -6.474 1.00 3.44 H new ATOM 0 HG LEU A 58 1.939 -6.930 -4.811 1.00 43.01 H new ATOM 0 HD11 LEU A 58 0.289 -8.562 -5.636 1.00 22.12 H new ATOM 0 HD12 LEU A 58 1.049 -7.659 -6.968 1.00 22.12 H new ATOM 0 HD13 LEU A 58 1.552 -9.332 -6.625 1.00 22.12 H new ATOM 0 HD21 LEU A 58 1.544 -9.018 -3.562 1.00 60.21 H new ATOM 0 HD22 LEU A 58 2.857 -9.805 -4.471 1.00 60.21 H new ATOM 0 HD23 LEU A 58 3.219 -8.447 -3.379 1.00 60.21 H new ATOM 841 N TYR A 59 5.336 -5.012 -6.045 1.00 1.13 N ATOM 842 CA TYR A 59 6.132 -4.055 -6.804 1.00 54.35 C ATOM 843 C TYR A 59 6.505 -2.852 -5.941 1.00 2.44 C ATOM 844 O TYR A 59 5.966 -2.665 -4.851 1.00 61.43 O ATOM 845 CB TYR A 59 5.367 -3.591 -8.044 1.00 52.11 C ATOM 846 CG TYR A 59 4.536 -4.679 -8.684 1.00 34.04 C ATOM 847 CD1 TYR A 59 5.029 -5.972 -8.813 1.00 3.25 C ATOM 848 CD2 TYR A 59 3.258 -4.414 -9.159 1.00 10.03 C ATOM 849 CE1 TYR A 59 4.272 -6.969 -9.399 1.00 42.44 C ATOM 850 CE2 TYR A 59 2.494 -5.405 -9.746 1.00 65.44 C ATOM 851 CZ TYR A 59 3.005 -6.681 -9.862 1.00 33.44 C ATOM 852 OH TYR A 59 2.248 -7.672 -10.445 1.00 14.14 O ATOM 0 H TYR A 59 4.493 -4.620 -5.625 1.00 1.13 H new ATOM 0 HA TYR A 59 7.049 -4.553 -7.118 1.00 54.35 H new ATOM 0 HB2 TYR A 59 4.715 -2.762 -7.769 1.00 52.11 H new ATOM 0 HB3 TYR A 59 6.077 -3.209 -8.777 1.00 52.11 H new ATOM 0 HD1 TYR A 59 6.020 -6.201 -8.449 1.00 3.25 H new ATOM 0 HD2 TYR A 59 2.854 -3.416 -9.068 1.00 10.03 H new ATOM 0 HE1 TYR A 59 4.670 -7.968 -9.494 1.00 42.44 H new ATOM 0 HE2 TYR A 59 1.503 -5.182 -10.112 1.00 65.44 H new ATOM 0 HH TYR A 59 1.381 -7.305 -10.716 1.00 14.14 H new ATOM 861 N ASP A 60 7.428 -2.038 -6.441 1.00 51.24 N ATOM 862 CA ASP A 60 7.872 -0.851 -5.719 1.00 44.44 C ATOM 863 C ASP A 60 6.937 0.326 -5.980 1.00 31.43 C ATOM 864 O ASP A 60 6.462 0.517 -7.100 1.00 72.04 O ATOM 865 CB ASP A 60 9.300 -0.484 -6.126 1.00 30.43 C ATOM 866 CG ASP A 60 9.470 -0.406 -7.631 1.00 30.01 C ATOM 867 OD1 ASP A 60 9.595 -1.471 -8.270 1.00 31.11 O ATOM 868 OD2 ASP A 60 9.479 0.721 -8.170 1.00 54.54 O ATOM 0 H ASP A 60 7.883 -2.178 -7.343 1.00 51.24 H new ATOM 0 HA ASP A 60 7.853 -1.077 -4.653 1.00 44.44 H new ATOM 0 HB2 ASP A 60 9.566 0.476 -5.683 1.00 30.43 H new ATOM 0 HB3 ASP A 60 9.991 -1.224 -5.723 1.00 30.43 H new ATOM 872 N TYR A 61 6.675 1.109 -4.940 1.00 74.03 N ATOM 873 CA TYR A 61 5.794 2.264 -5.057 1.00 64.01 C ATOM 874 C TYR A 61 6.235 3.384 -4.118 1.00 74.52 C ATOM 875 O TYR A 61 6.987 3.153 -3.171 1.00 51.21 O ATOM 876 CB TYR A 61 4.350 1.864 -4.746 1.00 14.20 C ATOM 877 CG TYR A 61 3.360 2.995 -4.910 1.00 33.14 C ATOM 878 CD1 TYR A 61 3.267 4.006 -3.961 1.00 31.10 C ATOM 879 CD2 TYR A 61 2.516 3.052 -6.012 1.00 24.04 C ATOM 880 CE1 TYR A 61 2.364 5.041 -4.106 1.00 63.13 C ATOM 881 CE2 TYR A 61 1.611 4.084 -6.166 1.00 4.02 C ATOM 882 CZ TYR A 61 1.537 5.076 -5.211 1.00 54.45 C ATOM 883 OH TYR A 61 0.636 6.104 -5.359 1.00 12.52 O ATOM 0 H TYR A 61 7.060 0.965 -4.007 1.00 74.03 H new ATOM 0 HA TYR A 61 5.851 2.629 -6.082 1.00 64.01 H new ATOM 0 HB2 TYR A 61 4.061 1.041 -5.400 1.00 14.20 H new ATOM 0 HB3 TYR A 61 4.297 1.492 -3.723 1.00 14.20 H new ATOM 0 HD1 TYR A 61 3.912 3.982 -3.095 1.00 31.10 H new ATOM 0 HD2 TYR A 61 2.568 2.276 -6.761 1.00 24.04 H new ATOM 0 HE1 TYR A 61 2.305 5.819 -3.359 1.00 63.13 H new ATOM 0 HE2 TYR A 61 0.964 4.114 -7.030 1.00 4.02 H new ATOM 0 HH TYR A 61 -0.124 5.798 -5.897 1.00 12.52 H new ATOM 892 N GLN A 62 5.763 4.595 -4.390 1.00 4.11 N ATOM 893 CA GLN A 62 6.109 5.751 -3.570 1.00 4.31 C ATOM 894 C GLN A 62 4.951 6.743 -3.512 1.00 42.15 C ATOM 895 O GLN A 62 4.503 7.250 -4.539 1.00 14.13 O ATOM 896 CB GLN A 62 7.357 6.439 -4.124 1.00 55.44 C ATOM 897 CG GLN A 62 7.503 7.886 -3.679 1.00 22.43 C ATOM 898 CD GLN A 62 7.831 8.012 -2.204 1.00 0.41 C ATOM 899 OE1 GLN A 62 6.798 8.078 -1.372 1.00 10.53 O flip ATOM 900 NE2 GLN A 62 8.999 8.052 -1.817 1.00 40.35 N flip ATOM 0 H GLN A 62 5.140 4.802 -5.171 1.00 4.11 H new ATOM 0 HA GLN A 62 6.314 5.400 -2.559 1.00 4.31 H new ATOM 0 HB2 GLN A 62 8.239 5.880 -3.810 1.00 55.44 H new ATOM 0 HB3 GLN A 62 7.328 6.404 -5.213 1.00 55.44 H new ATOM 0 HG2 GLN A 62 8.288 8.365 -4.264 1.00 22.43 H new ATOM 0 HG3 GLN A 62 6.577 8.422 -3.889 1.00 22.43 H new ATOM 0 HE21 GLN A 62 9.762 7.998 -2.492 1.00 40.35 H new ATOM 0 HE22 GLN A 62 9.204 8.139 -0.822 1.00 40.35 H new ATOM 907 N GLU A 63 4.472 7.014 -2.302 1.00 43.55 N ATOM 908 CA GLU A 63 3.366 7.945 -2.110 1.00 4.10 C ATOM 909 C GLU A 63 3.808 9.155 -1.293 1.00 21.24 C ATOM 910 O GLU A 63 4.668 9.047 -0.420 1.00 75.41 O ATOM 911 CB GLU A 63 2.196 7.246 -1.413 1.00 33.32 C ATOM 912 CG GLU A 63 0.857 7.477 -2.093 1.00 65.40 C ATOM 913 CD GLU A 63 0.347 8.893 -1.909 1.00 44.12 C ATOM 914 OE1 GLU A 63 0.389 9.396 -0.766 1.00 54.31 O ATOM 915 OE2 GLU A 63 -0.094 9.499 -2.907 1.00 22.12 O ATOM 0 H GLU A 63 4.832 6.603 -1.441 1.00 43.55 H new ATOM 0 HA GLU A 63 3.042 8.290 -3.092 1.00 4.10 H new ATOM 0 HB2 GLU A 63 2.394 6.175 -1.374 1.00 33.32 H new ATOM 0 HB3 GLU A 63 2.136 7.596 -0.383 1.00 33.32 H new ATOM 0 HG2 GLU A 63 0.953 7.265 -3.158 1.00 65.40 H new ATOM 0 HG3 GLU A 63 0.125 6.776 -1.693 1.00 65.40 H new ATOM 920 N SER A 64 3.214 10.308 -1.585 1.00 1.23 N ATOM 921 CA SER A 64 3.549 11.540 -0.882 1.00 44.44 C ATOM 922 C SER A 64 2.326 12.110 -0.170 1.00 63.00 C ATOM 923 O SER A 64 1.398 12.606 -0.808 1.00 20.25 O ATOM 924 CB SER A 64 4.112 12.573 -1.859 1.00 1.51 C ATOM 925 OG SER A 64 3.942 13.891 -1.363 1.00 71.51 O ATOM 0 H SER A 64 2.498 10.414 -2.304 1.00 1.23 H new ATOM 0 HA SER A 64 4.307 11.307 -0.134 1.00 44.44 H new ATOM 0 HB2 SER A 64 5.171 12.379 -2.028 1.00 1.51 H new ATOM 0 HB3 SER A 64 3.612 12.477 -2.823 1.00 1.51 H new ATOM 0 HG SER A 64 4.311 14.532 -2.005 1.00 71.51 H new ATOM 930 N GLY A 65 2.331 12.035 1.157 1.00 60.21 N ATOM 931 CA GLY A 65 1.217 12.546 1.935 1.00 13.22 C ATOM 932 C GLY A 65 -0.063 11.771 1.692 1.00 41.14 C ATOM 933 O GLY A 65 -0.630 11.823 0.601 1.00 23.34 O ATOM 0 H GLY A 65 3.087 11.629 1.708 1.00 60.21 H new ATOM 0 HA2 GLY A 65 1.468 12.504 2.995 1.00 13.22 H new ATOM 0 HA3 GLY A 65 1.056 13.595 1.687 1.00 13.22 H new ATOM 937 N ASP A 66 -0.517 11.049 2.711 1.00 2.14 N ATOM 938 CA ASP A 66 -1.739 10.259 2.603 1.00 34.04 C ATOM 939 C ASP A 66 -2.775 10.976 1.745 1.00 3.14 C ATOM 940 O ASP A 66 -3.405 11.937 2.187 1.00 61.42 O ATOM 941 CB ASP A 66 -2.314 9.978 3.992 1.00 2.20 C ATOM 942 CG ASP A 66 -3.757 9.516 3.938 1.00 52.14 C ATOM 943 OD1 ASP A 66 -3.991 8.351 3.555 1.00 33.32 O ATOM 944 OD2 ASP A 66 -4.650 10.319 4.280 1.00 21.44 O ATOM 0 H ASP A 66 -0.058 10.994 3.620 1.00 2.14 H new ATOM 0 HA ASP A 66 -1.490 9.312 2.124 1.00 34.04 H new ATOM 0 HB2 ASP A 66 -1.710 9.216 4.485 1.00 2.20 H new ATOM 0 HB3 ASP A 66 -2.247 10.881 4.599 1.00 2.20 H new ATOM 948 N ASN A 67 -2.947 10.504 0.514 1.00 0.11 N ATOM 949 CA ASN A 67 -3.907 11.101 -0.407 1.00 50.13 C ATOM 950 C ASN A 67 -4.915 10.063 -0.890 1.00 4.32 C ATOM 951 O ASN A 67 -4.599 8.879 -1.001 1.00 54.10 O ATOM 952 CB ASN A 67 -3.181 11.719 -1.604 1.00 74.14 C ATOM 953 CG ASN A 67 -2.348 12.924 -1.216 1.00 43.34 C ATOM 954 OD1 ASN A 67 -1.140 12.960 -1.450 1.00 1.23 O ATOM 955 ND2 ASN A 67 -2.992 13.920 -0.617 1.00 2.43 N ATOM 0 H ASN A 67 -2.434 9.710 0.132 1.00 0.11 H new ATOM 0 HA ASN A 67 -4.446 11.884 0.126 1.00 50.13 H new ATOM 0 HB2 ASN A 67 -2.537 10.968 -2.062 1.00 74.14 H new ATOM 0 HB3 ASN A 67 -3.913 12.014 -2.356 1.00 74.14 H new ATOM 0 HD21 ASN A 67 -2.484 14.757 -0.331 1.00 2.43 H new ATOM 0 HD22 ASN A 67 -3.994 13.847 -0.443 1.00 2.43 H new ATOM 961 N ALA A 68 -6.131 10.517 -1.177 1.00 21.14 N ATOM 962 CA ALA A 68 -7.186 9.629 -1.651 1.00 71.30 C ATOM 963 C ALA A 68 -7.002 9.297 -3.129 1.00 70.04 C ATOM 964 O ALA A 68 -6.601 10.138 -3.933 1.00 1.13 O ATOM 965 CB ALA A 68 -8.551 10.258 -1.415 1.00 13.13 C ATOM 0 H ALA A 68 -6.410 11.494 -1.090 1.00 21.14 H new ATOM 0 HA ALA A 68 -7.125 8.699 -1.086 1.00 71.30 H new ATOM 0 HB1 ALA A 68 -9.329 9.584 -1.774 1.00 13.13 H new ATOM 0 HB2 ALA A 68 -8.690 10.437 -0.349 1.00 13.13 H new ATOM 0 HB3 ALA A 68 -8.614 11.204 -1.953 1.00 13.13 H new ATOM 971 N PRO A 69 -7.299 8.041 -3.495 1.00 2.11 N ATOM 972 CA PRO A 69 -7.173 7.570 -4.877 1.00 1.02 C ATOM 973 C PRO A 69 -8.218 8.191 -5.799 1.00 74.14 C ATOM 974 O PRO A 69 -9.248 7.582 -6.084 1.00 22.11 O ATOM 975 CB PRO A 69 -7.395 6.060 -4.759 1.00 62.05 C ATOM 976 CG PRO A 69 -8.215 5.894 -3.527 1.00 65.33 C ATOM 977 CD PRO A 69 -7.781 6.986 -2.589 1.00 74.25 C ATOM 0 HA PRO A 69 -6.212 7.841 -5.313 1.00 1.02 H new ATOM 0 HB2 PRO A 69 -7.911 5.666 -5.634 1.00 62.05 H new ATOM 0 HB3 PRO A 69 -6.448 5.525 -4.680 1.00 62.05 H new ATOM 0 HG2 PRO A 69 -9.278 5.973 -3.753 1.00 65.33 H new ATOM 0 HG3 PRO A 69 -8.056 4.912 -3.082 1.00 65.33 H new ATOM 0 HD2 PRO A 69 -8.607 7.335 -1.969 1.00 74.25 H new ATOM 0 HD3 PRO A 69 -6.996 6.647 -1.913 1.00 74.25 H new ATOM 982 N SER A 70 -7.943 9.407 -6.262 1.00 62.51 N ATOM 983 CA SER A 70 -8.862 10.111 -7.149 1.00 0.41 C ATOM 984 C SER A 70 -8.539 9.816 -8.611 1.00 21.01 C ATOM 985 O SER A 70 -9.235 10.274 -9.517 1.00 64.13 O ATOM 986 CB SER A 70 -8.795 11.619 -6.895 1.00 74.42 C ATOM 987 OG SER A 70 -7.689 12.199 -7.564 1.00 64.01 O ATOM 0 H SER A 70 -7.093 9.924 -6.038 1.00 62.51 H new ATOM 0 HA SER A 70 -9.872 9.758 -6.939 1.00 0.41 H new ATOM 0 HB2 SER A 70 -9.718 12.090 -7.235 1.00 74.42 H new ATOM 0 HB3 SER A 70 -8.716 11.808 -5.824 1.00 74.42 H new ATOM 0 HG SER A 70 -7.669 13.163 -7.388 1.00 64.01 H new ATOM 992 N TYR A 71 -7.479 9.047 -8.832 1.00 43.42 N ATOM 993 CA TYR A 71 -7.061 8.692 -10.183 1.00 12.53 C ATOM 994 C TYR A 71 -6.779 7.197 -10.291 1.00 55.23 C ATOM 995 O TYR A 71 -6.767 6.482 -9.288 1.00 4.13 O ATOM 996 CB TYR A 71 -5.816 9.487 -10.580 1.00 14.12 C ATOM 997 CG TYR A 71 -4.754 9.526 -9.506 1.00 73.55 C ATOM 998 CD1 TYR A 71 -4.278 8.354 -8.930 1.00 44.33 C ATOM 999 CD2 TYR A 71 -4.226 10.733 -9.065 1.00 62.33 C ATOM 1000 CE1 TYR A 71 -3.308 8.384 -7.947 1.00 50.23 C ATOM 1001 CE2 TYR A 71 -3.254 10.773 -8.083 1.00 23.42 C ATOM 1002 CZ TYR A 71 -2.799 9.596 -7.527 1.00 21.32 C ATOM 1003 OH TYR A 71 -1.832 9.631 -6.548 1.00 22.21 O ATOM 0 H TYR A 71 -6.893 8.657 -8.093 1.00 43.42 H new ATOM 0 HA TYR A 71 -7.875 8.940 -10.864 1.00 12.53 H new ATOM 0 HB2 TYR A 71 -5.390 9.052 -11.484 1.00 14.12 H new ATOM 0 HB3 TYR A 71 -6.110 10.507 -10.825 1.00 14.12 H new ATOM 0 HD1 TYR A 71 -4.673 7.404 -9.257 1.00 44.33 H new ATOM 0 HD2 TYR A 71 -4.581 11.657 -9.497 1.00 62.33 H new ATOM 0 HE1 TYR A 71 -2.950 7.464 -7.509 1.00 50.23 H new ATOM 0 HE2 TYR A 71 -2.853 11.720 -7.753 1.00 23.42 H new ATOM 0 HH TYR A 71 -1.581 10.561 -6.369 1.00 22.21 H new ATOM 1012 N SER A 72 -6.550 6.731 -11.514 1.00 60.33 N ATOM 1013 CA SER A 72 -6.270 5.320 -11.755 1.00 45.13 C ATOM 1014 C SER A 72 -4.882 4.946 -11.245 1.00 42.24 C ATOM 1015 O SER A 72 -3.979 5.779 -11.159 1.00 44.00 O ATOM 1016 CB SER A 72 -6.379 5.005 -13.248 1.00 60.34 C ATOM 1017 OG SER A 72 -5.498 5.816 -14.007 1.00 63.24 O ATOM 0 H SER A 72 -6.553 7.310 -12.354 1.00 60.33 H new ATOM 0 HA SER A 72 -7.008 4.731 -11.211 1.00 45.13 H new ATOM 0 HB2 SER A 72 -6.148 3.954 -13.419 1.00 60.34 H new ATOM 0 HB3 SER A 72 -7.404 5.165 -13.582 1.00 60.34 H new ATOM 0 HG SER A 72 -5.586 5.594 -14.957 1.00 63.24 H new ATOM 1022 N PRO A 73 -4.706 3.663 -10.897 1.00 52.12 N ATOM 1023 CA PRO A 73 -3.431 3.149 -10.389 1.00 35.52 C ATOM 1024 C PRO A 73 -2.352 3.106 -11.467 1.00 25.00 C ATOM 1025 O PRO A 73 -2.629 2.893 -12.647 1.00 54.42 O ATOM 1026 CB PRO A 73 -3.780 1.731 -9.926 1.00 52.41 C ATOM 1027 CG PRO A 73 -4.965 1.347 -10.743 1.00 75.02 C ATOM 1028 CD PRO A 73 -5.738 2.616 -10.973 1.00 23.51 C ATOM 0 HA PRO A 73 -3.021 3.781 -9.601 1.00 35.52 H new ATOM 0 HB2 PRO A 73 -2.948 1.046 -10.088 1.00 52.41 H new ATOM 0 HB3 PRO A 73 -4.009 1.707 -8.861 1.00 52.41 H new ATOM 0 HG2 PRO A 73 -4.659 0.900 -11.689 1.00 75.02 H new ATOM 0 HG3 PRO A 73 -5.574 0.608 -10.223 1.00 75.02 H new ATOM 0 HD2 PRO A 73 -6.236 2.613 -11.942 1.00 23.51 H new ATOM 0 HD3 PRO A 73 -6.511 2.758 -10.218 1.00 23.51 H new ATOM 1033 N PRO A 74 -1.093 3.313 -11.053 1.00 11.00 N ATOM 1034 CA PRO A 74 0.052 3.302 -11.968 1.00 3.20 C ATOM 1035 C PRO A 74 0.353 1.907 -12.504 1.00 50.34 C ATOM 1036 O PRO A 74 0.081 0.896 -11.857 1.00 21.44 O ATOM 1037 CB PRO A 74 1.207 3.801 -11.095 1.00 13.41 C ATOM 1038 CG PRO A 74 0.807 3.454 -9.703 1.00 73.22 C ATOM 1039 CD PRO A 74 -0.691 3.572 -9.660 1.00 13.33 C ATOM 0 HA PRO A 74 -0.127 3.913 -12.853 1.00 3.20 H new ATOM 0 HB2 PRO A 74 2.146 3.320 -11.368 1.00 13.41 H new ATOM 0 HB3 PRO A 74 1.354 4.875 -11.209 1.00 13.41 H new ATOM 0 HG2 PRO A 74 1.126 2.444 -9.446 1.00 73.22 H new ATOM 0 HG3 PRO A 74 1.272 4.128 -8.984 1.00 73.22 H new ATOM 0 HD2 PRO A 74 -1.132 2.849 -8.973 1.00 13.33 H new ATOM 0 HD3 PRO A 74 -1.007 4.561 -9.328 1.00 13.33 H new ATOM 1044 N PRO A 75 0.930 1.848 -13.713 1.00 12.35 N ATOM 1045 CA PRO A 75 1.282 0.582 -14.362 1.00 11.13 C ATOM 1046 C PRO A 75 2.442 -0.123 -13.667 1.00 10.21 C ATOM 1047 O PRO A 75 3.511 0.450 -13.457 1.00 74.11 O ATOM 1048 CB PRO A 75 1.684 1.007 -15.776 1.00 12.41 C ATOM 1049 CG PRO A 75 2.129 2.422 -15.633 1.00 1.52 C ATOM 1050 CD PRO A 75 1.283 3.014 -14.541 1.00 64.15 C ATOM 0 HA PRO A 75 0.459 -0.132 -14.335 1.00 11.13 H new ATOM 0 HB2 PRO A 75 2.484 0.378 -16.166 1.00 12.41 H new ATOM 0 HB3 PRO A 75 0.846 0.923 -16.468 1.00 12.41 H new ATOM 0 HG2 PRO A 75 3.188 2.474 -15.378 1.00 1.52 H new ATOM 0 HG3 PRO A 75 1.999 2.968 -16.567 1.00 1.52 H new ATOM 0 HD2 PRO A 75 1.831 3.762 -13.969 1.00 64.15 H new ATOM 0 HD3 PRO A 75 0.396 3.506 -14.941 1.00 64.15 H new ATOM 1055 N PRO A 76 2.228 -1.396 -13.301 1.00 44.21 N ATOM 1056 CA PRO A 76 3.245 -2.206 -12.625 1.00 13.51 C ATOM 1057 C PRO A 76 4.408 -2.562 -13.545 1.00 71.33 C ATOM 1058 O PRO A 76 4.360 -2.351 -14.757 1.00 30.12 O ATOM 1059 CB PRO A 76 2.481 -3.468 -12.216 1.00 2.24 C ATOM 1060 CG PRO A 76 1.355 -3.558 -13.188 1.00 71.22 C ATOM 1061 CD PRO A 76 0.978 -2.141 -13.520 1.00 64.43 C ATOM 0 HA PRO A 76 3.697 -1.675 -11.787 1.00 13.51 H new ATOM 0 HB2 PRO A 76 3.119 -4.351 -12.265 1.00 2.24 H new ATOM 0 HB3 PRO A 76 2.116 -3.396 -11.192 1.00 2.24 H new ATOM 0 HG2 PRO A 76 1.656 -4.102 -14.084 1.00 71.22 H new ATOM 0 HG3 PRO A 76 0.510 -4.096 -12.757 1.00 71.22 H new ATOM 0 HD2 PRO A 76 0.630 -2.048 -14.549 1.00 64.43 H new ATOM 0 HD3 PRO A 76 0.176 -1.778 -12.878 1.00 64.43 H new ATOM 1066 N PRO A 77 5.479 -3.117 -12.958 1.00 33.40 N ATOM 1067 CA PRO A 77 6.675 -3.516 -13.708 1.00 22.31 C ATOM 1068 C PRO A 77 6.420 -4.721 -14.606 1.00 72.41 C ATOM 1069 O PRO A 77 7.319 -5.525 -14.853 1.00 51.20 O ATOM 1070 CB PRO A 77 7.679 -3.870 -12.610 1.00 54.13 C ATOM 1071 CG PRO A 77 6.843 -4.250 -11.437 1.00 20.54 C ATOM 1072 CD PRO A 77 5.606 -3.399 -11.518 1.00 3.32 C ATOM 0 HA PRO A 77 7.017 -2.729 -14.380 1.00 22.31 H new ATOM 0 HB2 PRO A 77 8.327 -4.691 -12.916 1.00 54.13 H new ATOM 0 HB3 PRO A 77 8.325 -3.024 -12.377 1.00 54.13 H new ATOM 0 HG2 PRO A 77 6.590 -5.310 -11.465 1.00 20.54 H new ATOM 0 HG3 PRO A 77 7.377 -4.074 -10.503 1.00 20.54 H new ATOM 0 HD2 PRO A 77 4.732 -3.923 -11.133 1.00 3.32 H new ATOM 0 HD3 PRO A 77 5.710 -2.483 -10.937 1.00 3.32 H new TER 1077 PRO A 77