USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 14 TYR OH : rot -16:sc= 1.19 USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -0.258 F(o=-1.3,f=0.93) USER MOD Single : A 1 HIS :FLIP no HD1:sc= 0.193 F(o=-1.3,f=0.19) USER MOD Single : A 1 HIS N :NH3+ -176:sc= 0.188 (180deg=0.173) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.01! C(o=-3!,f=-2.8!) USER MOD Single : A 15 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.039) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.3!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 179:sc= -0.35 USER MOD Single : A 37 LYS NZ :NH3+ -140:sc= 0.506 (180deg=-1.86!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0535 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.9) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 0.0384 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.739 K(o=-0.74,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00598) USER MOD Single : A 64 THR OG1 : rot 50:sc= -1.8 USER MOD Single : A 70 ASN : amide:sc= -0.568 K(o=-0.57,f=-9.6!) USER MOD Single : A 73 ASN : amide:sc= 0.212 K(o=0.21,f=-0.91) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -100:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc= -0.754 X(o=-0.75,f=-1.2) USER MOD Single : A 82 TYR OH : rot -7:sc= 1.17 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -9.912 -8.621 7.082 1.00 50.52 N ATOM 2 CA HIS A 1 -10.321 -7.354 6.486 1.00 44.00 C ATOM 3 C HIS A 1 -11.742 -6.989 6.908 1.00 11.31 C ATOM 4 O HIS A 1 -12.009 -5.857 7.308 1.00 34.45 O ATOM 5 CB HIS A 1 -10.233 -7.430 4.962 1.00 4.44 C ATOM 6 CG HIS A 1 -8.850 -7.700 4.455 1.00 22.11 C ATOM 7 ND1 HIS A 1 -7.682 -7.876 5.118 1.00 63.33 N flip ATOM 8 CD2 HIS A 1 -8.549 -7.818 3.115 1.00 12.41 C flip ATOM 9 CE1 HIS A 1 -6.708 -8.095 4.176 1.00 60.34 C flip ATOM 10 NE2 HIS A 1 -7.256 -8.055 2.975 1.00 71.15 N flip ATOM 0 H1 HIS A 1 -8.920 -8.816 6.837 1.00 50.52 H new ATOM 0 H2 HIS A 1 -10.009 -8.565 8.116 1.00 50.52 H new ATOM 0 H3 HIS A 1 -10.515 -9.386 6.719 1.00 50.52 H new ATOM 0 HA HIS A 1 -9.644 -6.578 6.843 1.00 44.00 H new ATOM 0 HB2 HIS A 1 -10.901 -8.214 4.606 1.00 4.44 H new ATOM 0 HB3 HIS A 1 -10.590 -6.491 4.538 1.00 4.44 H new ATOM 0 HD2 HIS A 1 -9.259 -7.730 2.306 1.00 12.41 H new ATOM 0 HE1 HIS A 1 -5.663 -8.271 4.383 1.00 60.34 H new ATOM 0 HE2 HIS A 1 -6.765 -8.185 2.090 1.00 71.15 H new ATOM 19 N MET A 2 -12.648 -7.956 6.813 1.00 50.23 N ATOM 20 CA MET A 2 -14.041 -7.737 7.185 1.00 2.35 C ATOM 21 C MET A 2 -14.144 -7.170 8.597 1.00 11.51 C ATOM 22 O MET A 2 -14.887 -6.217 8.842 1.00 61.55 O ATOM 23 CB MET A 2 -14.830 -9.044 7.089 1.00 64.23 C ATOM 24 CG MET A 2 -16.003 -8.979 6.125 1.00 3.43 C ATOM 25 SD MET A 2 -16.143 -10.455 5.100 1.00 32.32 S ATOM 26 CE MET A 2 -17.908 -10.753 5.178 1.00 70.14 C ATOM 0 H MET A 2 -12.443 -8.899 6.482 1.00 50.23 H new ATOM 0 HA MET A 2 -14.466 -7.013 6.490 1.00 2.35 H new ATOM 0 HB2 MET A 2 -14.157 -9.842 6.776 1.00 64.23 H new ATOM 0 HB3 MET A 2 -15.199 -9.309 8.080 1.00 64.23 H new ATOM 0 HG2 MET A 2 -16.925 -8.845 6.690 1.00 3.43 H new ATOM 0 HG3 MET A 2 -15.893 -8.105 5.483 1.00 3.43 H new ATOM 0 HE1 MET A 2 -18.154 -11.637 4.590 1.00 70.14 H new ATOM 0 HE2 MET A 2 -18.205 -10.912 6.215 1.00 70.14 H new ATOM 0 HE3 MET A 2 -18.441 -9.891 4.776 1.00 70.14 H new ATOM 36 N LYS A 3 -13.394 -7.757 9.522 1.00 72.42 N ATOM 37 CA LYS A 3 -13.400 -7.311 10.909 1.00 1.24 C ATOM 38 C LYS A 3 -12.036 -6.757 11.308 1.00 24.21 C ATOM 39 O LYS A 3 -11.054 -6.919 10.584 1.00 14.31 O ATOM 40 CB LYS A 3 -13.784 -8.465 11.838 1.00 52.44 C ATOM 41 CG LYS A 3 -14.965 -9.280 11.338 1.00 23.33 C ATOM 42 CD LYS A 3 -15.462 -10.248 12.398 1.00 32.03 C ATOM 43 CE LYS A 3 -16.557 -11.154 11.856 1.00 43.05 C ATOM 44 NZ LYS A 3 -16.830 -12.301 12.767 1.00 32.11 N ATOM 0 H LYS A 3 -12.773 -8.544 9.336 1.00 72.42 H new ATOM 0 HA LYS A 3 -14.139 -6.515 11.004 1.00 1.24 H new ATOM 0 HB2 LYS A 3 -12.924 -9.124 11.960 1.00 52.44 H new ATOM 0 HB3 LYS A 3 -14.021 -8.064 12.823 1.00 52.44 H new ATOM 0 HG2 LYS A 3 -15.774 -8.610 11.048 1.00 23.33 H new ATOM 0 HG3 LYS A 3 -14.674 -9.834 10.445 1.00 23.33 H new ATOM 0 HD2 LYS A 3 -14.631 -10.855 12.757 1.00 32.03 H new ATOM 0 HD3 LYS A 3 -15.841 -9.689 13.254 1.00 32.03 H new ATOM 0 HE2 LYS A 3 -17.470 -10.576 11.716 1.00 43.05 H new ATOM 0 HE3 LYS A 3 -16.265 -11.530 10.876 1.00 43.05 H new ATOM 0 HZ1 LYS A 3 -17.582 -12.894 12.362 1.00 32.11 H new ATOM 0 HZ2 LYS A 3 -15.965 -12.867 12.881 1.00 32.11 H new ATOM 0 HZ3 LYS A 3 -17.134 -11.943 13.695 1.00 32.11 H new ATOM 58 N GLU A 4 -11.982 -6.104 12.466 1.00 52.35 N ATOM 59 CA GLU A 4 -10.738 -5.527 12.959 1.00 41.14 C ATOM 60 C GLU A 4 -10.116 -4.600 11.918 1.00 52.42 C ATOM 61 O GLU A 4 -10.716 -4.327 10.878 1.00 23.20 O ATOM 62 CB GLU A 4 -9.747 -6.634 13.327 1.00 52.31 C ATOM 63 CG GLU A 4 -9.004 -6.376 14.627 1.00 62.32 C ATOM 64 CD GLU A 4 -9.240 -7.463 15.659 1.00 63.12 C ATOM 65 OE1 GLU A 4 -10.412 -7.842 15.862 1.00 74.45 O ATOM 66 OE2 GLU A 4 -8.253 -7.934 16.263 1.00 44.45 O ATOM 0 H GLU A 4 -12.785 -5.962 13.079 1.00 52.35 H new ATOM 0 HA GLU A 4 -10.968 -4.942 13.850 1.00 41.14 H new ATOM 0 HB2 GLU A 4 -10.284 -7.579 13.406 1.00 52.31 H new ATOM 0 HB3 GLU A 4 -9.023 -6.745 12.520 1.00 52.31 H new ATOM 0 HG2 GLU A 4 -7.936 -6.300 14.422 1.00 62.32 H new ATOM 0 HG3 GLU A 4 -9.319 -5.416 15.037 1.00 62.32 H new ATOM 73 N ARG A 5 -8.912 -4.120 12.205 1.00 3.44 N ATOM 74 CA ARG A 5 -8.210 -3.222 11.296 1.00 5.31 C ATOM 75 C ARG A 5 -6.981 -3.903 10.699 1.00 70.41 C ATOM 76 O ARG A 5 -6.473 -4.893 11.226 1.00 55.31 O ATOM 77 CB ARG A 5 -7.792 -1.944 12.026 1.00 63.45 C ATOM 78 CG ARG A 5 -8.734 -0.775 11.796 1.00 14.14 C ATOM 79 CD ARG A 5 -8.661 0.233 12.931 1.00 25.03 C ATOM 80 NE ARG A 5 -8.243 1.553 12.465 1.00 53.42 N ATOM 81 CZ ARG A 5 -8.300 2.649 13.215 1.00 50.14 C ATOM 82 NH1 ARG A 5 -8.756 2.583 14.459 1.00 54.43 N ATOM 83 NH2 ARG A 5 -7.902 3.813 12.719 1.00 25.52 N ATOM 0 H ARG A 5 -8.401 -4.338 13.061 1.00 3.44 H new ATOM 0 HA ARG A 5 -8.891 -2.963 10.486 1.00 5.31 H new ATOM 0 HB2 ARG A 5 -7.735 -2.149 13.095 1.00 63.45 H new ATOM 0 HB3 ARG A 5 -6.790 -1.662 11.702 1.00 63.45 H new ATOM 0 HG2 ARG A 5 -8.483 -0.284 10.856 1.00 14.14 H new ATOM 0 HG3 ARG A 5 -9.755 -1.143 11.701 1.00 14.14 H new ATOM 0 HD2 ARG A 5 -9.637 0.310 13.411 1.00 25.03 H new ATOM 0 HD3 ARG A 5 -7.961 -0.123 13.687 1.00 25.03 H new ATOM 0 HE ARG A 5 -7.888 1.638 11.513 1.00 53.42 H new ATOM 0 HH11 ARG A 5 -9.064 1.689 14.843 1.00 54.43 H new ATOM 0 HH12 ARG A 5 -8.798 3.426 15.032 1.00 54.43 H new ATOM 0 HH21 ARG A 5 -7.552 3.867 11.762 1.00 25.52 H new ATOM 0 HH22 ARG A 5 -7.946 4.654 13.294 1.00 25.52 H new ATOM 97 N PRO A 6 -6.493 -3.363 9.573 1.00 31.30 N ATOM 98 CA PRO A 6 -5.319 -3.904 8.881 1.00 2.21 C ATOM 99 C PRO A 6 -4.030 -3.680 9.665 1.00 41.32 C ATOM 100 O PRO A 6 -3.986 -2.919 10.631 1.00 32.13 O ATOM 101 CB PRO A 6 -5.290 -3.118 7.568 1.00 41.31 C ATOM 102 CG PRO A 6 -5.993 -1.841 7.874 1.00 2.30 C ATOM 103 CD PRO A 6 -7.047 -2.183 8.890 1.00 70.31 C ATOM 0 HA PRO A 6 -5.385 -4.984 8.747 1.00 2.21 H new ATOM 0 HB2 PRO A 6 -4.267 -2.937 7.238 1.00 41.31 H new ATOM 0 HB3 PRO A 6 -5.791 -3.664 6.769 1.00 41.31 H new ATOM 0 HG2 PRO A 6 -5.299 -1.098 8.266 1.00 2.30 H new ATOM 0 HG3 PRO A 6 -6.440 -1.416 6.975 1.00 2.30 H new ATOM 0 HD2 PRO A 6 -7.218 -1.360 9.584 1.00 70.31 H new ATOM 0 HD3 PRO A 6 -8.004 -2.405 8.417 1.00 70.31 H new ATOM 111 N PRO A 7 -2.953 -4.356 9.238 1.00 3.11 N ATOM 112 CA PRO A 7 -1.643 -4.247 9.886 1.00 4.42 C ATOM 113 C PRO A 7 -0.997 -2.884 9.660 1.00 72.30 C ATOM 114 O PRO A 7 -1.444 -2.087 8.834 1.00 22.34 O ATOM 115 CB PRO A 7 -0.820 -5.346 9.210 1.00 61.24 C ATOM 116 CG PRO A 7 -1.466 -5.541 7.881 1.00 5.33 C ATOM 117 CD PRO A 7 -2.932 -5.281 8.092 1.00 44.42 C ATOM 0 HA PRO A 7 -1.714 -4.353 10.969 1.00 4.42 H new ATOM 0 HB2 PRO A 7 0.224 -5.050 9.103 1.00 61.24 H new ATOM 0 HB3 PRO A 7 -0.832 -6.266 9.795 1.00 61.24 H new ATOM 0 HG2 PRO A 7 -1.051 -4.857 7.141 1.00 5.33 H new ATOM 0 HG3 PRO A 7 -1.298 -6.552 7.510 1.00 5.33 H new ATOM 0 HD2 PRO A 7 -3.393 -4.838 7.209 1.00 44.42 H new ATOM 0 HD3 PRO A 7 -3.476 -6.200 8.308 1.00 44.42 H new ATOM 125 N PRO A 8 0.080 -2.607 10.410 1.00 33.33 N ATOM 126 CA PRO A 8 0.812 -1.340 10.309 1.00 35.20 C ATOM 127 C PRO A 8 1.573 -1.214 8.995 1.00 44.54 C ATOM 128 O PRO A 8 1.481 -2.081 8.125 1.00 33.13 O ATOM 129 CB PRO A 8 1.786 -1.398 11.489 1.00 55.35 C ATOM 130 CG PRO A 8 1.977 -2.851 11.751 1.00 41.15 C ATOM 131 CD PRO A 8 0.668 -3.510 11.415 1.00 63.01 C ATOM 0 HA PRO A 8 0.143 -0.480 10.333 1.00 35.20 H new ATOM 0 HB2 PRO A 8 2.731 -0.912 11.247 1.00 55.35 H new ATOM 0 HB3 PRO A 8 1.380 -0.888 12.363 1.00 55.35 H new ATOM 0 HG2 PRO A 8 2.785 -3.254 11.140 1.00 41.15 H new ATOM 0 HG3 PRO A 8 2.246 -3.027 12.792 1.00 41.15 H new ATOM 0 HD2 PRO A 8 0.814 -4.514 11.017 1.00 63.01 H new ATOM 0 HD3 PRO A 8 0.029 -3.605 12.293 1.00 63.01 H new ATOM 139 N VAL A 9 2.327 -0.129 8.854 1.00 1.34 N ATOM 140 CA VAL A 9 3.107 0.111 7.645 1.00 32.42 C ATOM 141 C VAL A 9 4.041 -1.058 7.354 1.00 3.34 C ATOM 142 O VAL A 9 4.589 -1.688 8.260 1.00 22.05 O ATOM 143 CB VAL A 9 3.938 1.403 7.760 1.00 34.44 C ATOM 144 CG1 VAL A 9 3.055 2.625 7.559 1.00 11.20 C ATOM 145 CG2 VAL A 9 4.648 1.461 9.103 1.00 1.35 C ATOM 0 H VAL A 9 2.415 0.599 9.563 1.00 1.34 H new ATOM 0 HA VAL A 9 2.397 0.218 6.825 1.00 32.42 H new ATOM 0 HB VAL A 9 4.695 1.400 6.976 1.00 34.44 H new ATOM 0 HG11 VAL A 9 3.659 3.528 7.644 1.00 11.20 H new ATOM 0 HG12 VAL A 9 2.598 2.585 6.570 1.00 11.20 H new ATOM 0 HG13 VAL A 9 2.274 2.638 8.319 1.00 11.20 H new ATOM 0 HG21 VAL A 9 5.230 2.380 9.167 1.00 1.35 H new ATOM 0 HG22 VAL A 9 3.911 1.442 9.906 1.00 1.35 H new ATOM 0 HG23 VAL A 9 5.313 0.603 9.200 1.00 1.35 H new ATOM 155 N PRO A 10 4.231 -1.355 6.060 1.00 73.25 N ATOM 156 CA PRO A 10 5.101 -2.451 5.619 1.00 32.03 C ATOM 157 C PRO A 10 6.576 -2.154 5.868 1.00 64.31 C ATOM 158 O PRO A 10 7.332 -1.893 4.935 1.00 40.42 O ATOM 159 CB PRO A 10 4.821 -2.542 4.117 1.00 72.34 C ATOM 160 CG PRO A 10 4.353 -1.182 3.734 1.00 2.14 C ATOM 161 CD PRO A 10 3.611 -0.646 4.928 1.00 70.23 C ATOM 0 HA PRO A 10 4.901 -3.375 6.161 1.00 32.03 H new ATOM 0 HB2 PRO A 10 5.717 -2.822 3.564 1.00 72.34 H new ATOM 0 HB3 PRO A 10 4.064 -3.296 3.901 1.00 72.34 H new ATOM 0 HG2 PRO A 10 5.194 -0.538 3.476 1.00 2.14 H new ATOM 0 HG3 PRO A 10 3.705 -1.225 2.859 1.00 2.14 H new ATOM 0 HD2 PRO A 10 3.724 0.434 5.020 1.00 70.23 H new ATOM 0 HD3 PRO A 10 2.542 -0.850 4.862 1.00 70.23 H new ATOM 169 N ASN A 11 6.978 -2.199 7.134 1.00 22.13 N ATOM 170 CA ASN A 11 8.363 -1.935 7.505 1.00 23.33 C ATOM 171 C ASN A 11 8.950 -0.811 6.657 1.00 32.14 C ATOM 172 O ASN A 11 9.618 -1.044 5.650 1.00 14.51 O ATOM 173 CB ASN A 11 9.206 -3.202 7.345 1.00 23.54 C ATOM 174 CG ASN A 11 9.039 -3.840 5.981 1.00 51.15 C ATOM 175 OD1 ASN A 11 9.801 -3.561 5.056 1.00 43.14 O ATOM 176 ND2 ASN A 11 8.035 -4.701 5.848 1.00 4.21 N ATOM 0 H ASN A 11 6.365 -2.416 7.920 1.00 22.13 H new ATOM 0 HA ASN A 11 8.379 -1.624 8.550 1.00 23.33 H new ATOM 0 HB2 ASN A 11 10.257 -2.958 7.503 1.00 23.54 H new ATOM 0 HB3 ASN A 11 8.927 -3.920 8.116 1.00 23.54 H new ATOM 0 HD21 ASN A 11 7.872 -5.160 4.952 1.00 4.21 H new ATOM 0 HD22 ASN A 11 7.428 -4.903 6.642 1.00 4.21 H new ATOM 183 N PRO A 12 8.696 0.438 7.073 1.00 4.03 N ATOM 184 CA PRO A 12 9.191 1.624 6.367 1.00 61.31 C ATOM 185 C PRO A 12 10.702 1.784 6.491 1.00 30.20 C ATOM 186 O PRO A 12 11.266 1.623 7.574 1.00 44.41 O ATOM 187 CB PRO A 12 8.470 2.780 7.067 1.00 63.03 C ATOM 188 CG PRO A 12 8.160 2.264 8.429 1.00 64.33 C ATOM 189 CD PRO A 12 7.908 0.790 8.266 1.00 5.33 C ATOM 0 HA PRO A 12 8.999 1.571 5.295 1.00 61.31 H new ATOM 0 HB2 PRO A 12 9.100 3.669 7.114 1.00 63.03 H new ATOM 0 HB3 PRO A 12 7.562 3.061 6.534 1.00 63.03 H new ATOM 0 HG2 PRO A 12 8.989 2.445 9.113 1.00 64.33 H new ATOM 0 HG3 PRO A 12 7.287 2.765 8.847 1.00 64.33 H new ATOM 0 HD2 PRO A 12 8.232 0.228 9.142 1.00 5.33 H new ATOM 0 HD3 PRO A 12 6.848 0.577 8.125 1.00 5.33 H new ATOM 197 N ASP A 13 11.352 2.102 5.377 1.00 21.40 N ATOM 198 CA ASP A 13 12.798 2.285 5.362 1.00 44.40 C ATOM 199 C ASP A 13 13.179 3.534 4.572 1.00 2.14 C ATOM 200 O ASP A 13 13.928 3.460 3.596 1.00 22.10 O ATOM 201 CB ASP A 13 13.484 1.058 4.760 1.00 61.24 C ATOM 202 CG ASP A 13 14.991 1.105 4.912 1.00 42.24 C ATOM 203 OD1 ASP A 13 15.478 0.971 6.053 1.00 25.41 O ATOM 204 OD2 ASP A 13 15.685 1.274 3.887 1.00 63.53 O ATOM 0 H ASP A 13 10.900 2.238 4.473 1.00 21.40 H new ATOM 0 HA ASP A 13 13.134 2.410 6.391 1.00 44.40 H new ATOM 0 HB2 ASP A 13 13.101 0.158 5.242 1.00 61.24 H new ATOM 0 HB3 ASP A 13 13.230 0.986 3.702 1.00 61.24 H new ATOM 210 N TYR A 14 12.659 4.680 4.999 1.00 31.20 N ATOM 211 CA TYR A 14 12.942 5.944 4.330 1.00 15.31 C ATOM 212 C TYR A 14 13.856 6.818 5.181 1.00 11.50 C ATOM 213 O TYR A 14 14.489 7.747 4.679 1.00 62.14 O ATOM 214 CB TYR A 14 11.640 6.688 4.030 1.00 13.14 C ATOM 215 CG TYR A 14 10.679 6.723 5.196 1.00 60.11 C ATOM 216 CD1 TYR A 14 10.962 7.468 6.335 1.00 51.22 C ATOM 217 CD2 TYR A 14 9.487 6.007 5.163 1.00 5.13 C ATOM 218 CE1 TYR A 14 10.088 7.501 7.403 1.00 4.25 C ATOM 219 CE2 TYR A 14 8.607 6.036 6.226 1.00 21.21 C ATOM 220 CZ TYR A 14 8.912 6.784 7.345 1.00 22.03 C ATOM 221 OH TYR A 14 8.038 6.814 8.407 1.00 73.51 O ATOM 0 H TYR A 14 12.039 4.759 5.805 1.00 31.20 H new ATOM 0 HA TYR A 14 13.451 5.724 3.392 1.00 15.31 H new ATOM 0 HB2 TYR A 14 11.876 7.710 3.734 1.00 13.14 H new ATOM 0 HB3 TYR A 14 11.149 6.215 3.180 1.00 13.14 H new ATOM 0 HD1 TYR A 14 11.882 8.031 6.385 1.00 51.22 H new ATOM 0 HD2 TYR A 14 9.246 5.418 4.290 1.00 5.13 H new ATOM 0 HE1 TYR A 14 10.324 8.086 8.280 1.00 4.25 H new ATOM 0 HE2 TYR A 14 7.684 5.476 6.182 1.00 21.21 H new ATOM 0 HH TYR A 14 8.498 7.163 9.199 1.00 73.51 H new ATOM 231 N ASN A 15 13.920 6.514 6.474 1.00 23.02 N ATOM 232 CA ASN A 15 14.758 7.272 7.396 1.00 13.04 C ATOM 233 C ASN A 15 16.224 7.203 6.984 1.00 63.41 C ATOM 234 O ASN A 15 16.899 8.227 6.874 1.00 71.40 O ATOM 235 CB ASN A 15 14.591 6.740 8.821 1.00 4.25 C ATOM 236 CG ASN A 15 14.044 7.791 9.770 1.00 75.40 C ATOM 237 OD1 ASN A 15 13.132 7.522 10.551 1.00 62.23 O ATOM 238 ND2 ASN A 15 14.600 8.994 9.705 1.00 42.50 N ATOM 0 H ASN A 15 13.402 5.749 6.906 1.00 23.02 H new ATOM 0 HA ASN A 15 14.441 8.314 7.363 1.00 13.04 H new ATOM 0 HB2 ASN A 15 13.920 5.881 8.809 1.00 4.25 H new ATOM 0 HB3 ASN A 15 15.554 6.387 9.190 1.00 4.25 H new ATOM 0 HD21 ASN A 15 14.273 9.741 10.318 1.00 42.50 H new ATOM 0 HD22 ASN A 15 15.354 9.172 9.042 1.00 42.50 H new ATOM 245 N SER A 16 16.711 5.988 6.754 1.00 32.41 N ATOM 246 CA SER A 16 18.099 5.782 6.356 1.00 73.42 C ATOM 247 C SER A 16 19.050 6.477 7.325 1.00 5.13 C ATOM 248 O SER A 16 20.088 7.005 6.922 1.00 21.33 O ATOM 249 CB SER A 16 18.327 6.304 4.936 1.00 71.31 C ATOM 250 OG SER A 16 19.062 5.372 4.162 1.00 0.35 O ATOM 0 H SER A 16 16.165 5.131 6.836 1.00 32.41 H new ATOM 0 HA SER A 16 18.303 4.712 6.379 1.00 73.42 H new ATOM 0 HB2 SER A 16 17.367 6.501 4.459 1.00 71.31 H new ATOM 0 HB3 SER A 16 18.863 7.252 4.975 1.00 71.31 H new ATOM 0 HG SER A 16 19.193 5.728 3.259 1.00 0.35 H new ATOM 256 N LEU A 17 18.689 6.475 8.603 1.00 4.13 N ATOM 257 CA LEU A 17 19.510 7.107 9.632 1.00 54.52 C ATOM 258 C LEU A 17 19.765 8.574 9.300 1.00 73.13 C ATOM 259 O LEU A 17 19.231 9.104 8.326 1.00 53.34 O ATOM 260 CB LEU A 17 20.840 6.366 9.775 1.00 24.41 C ATOM 261 CG LEU A 17 20.746 4.853 9.978 1.00 43.34 C ATOM 262 CD1 LEU A 17 21.758 4.134 9.100 1.00 65.33 C ATOM 263 CD2 LEU A 17 20.960 4.497 11.442 1.00 63.45 C ATOM 0 H LEU A 17 17.834 6.043 8.953 1.00 4.13 H new ATOM 0 HA LEU A 17 18.969 7.057 10.577 1.00 54.52 H new ATOM 0 HB2 LEU A 17 21.437 6.557 8.883 1.00 24.41 H new ATOM 0 HB3 LEU A 17 21.382 6.793 10.619 1.00 24.41 H new ATOM 0 HG LEU A 17 19.747 4.528 9.688 1.00 43.34 H new ATOM 0 HD11 LEU A 17 21.677 3.058 9.257 1.00 65.33 H new ATOM 0 HD12 LEU A 17 21.559 4.364 8.053 1.00 65.33 H new ATOM 0 HD13 LEU A 17 22.764 4.464 9.359 1.00 65.33 H new ATOM 0 HD21 LEU A 17 20.890 3.417 11.568 1.00 63.45 H new ATOM 0 HD22 LEU A 17 21.947 4.836 11.758 1.00 63.45 H new ATOM 0 HD23 LEU A 17 20.197 4.983 12.050 1.00 63.45 H new ATOM 275 N LYS A 18 20.587 9.224 10.116 1.00 0.33 N ATOM 276 CA LYS A 18 20.918 10.629 9.909 1.00 62.21 C ATOM 277 C LYS A 18 19.654 11.479 9.826 1.00 32.33 C ATOM 278 O LYS A 18 18.555 11.004 10.110 1.00 62.42 O ATOM 279 CB LYS A 18 21.742 10.797 8.630 1.00 13.20 C ATOM 280 CG LYS A 18 23.002 11.623 8.822 1.00 22.43 C ATOM 281 CD LYS A 18 24.113 11.171 7.890 1.00 62.15 C ATOM 282 CE LYS A 18 25.152 10.336 8.621 1.00 31.32 C ATOM 283 NZ LYS A 18 26.501 10.458 8.000 1.00 35.50 N ATOM 0 H LYS A 18 21.037 8.800 10.928 1.00 0.33 H new ATOM 0 HA LYS A 18 21.507 10.967 10.761 1.00 62.21 H new ATOM 0 HB2 LYS A 18 22.017 9.812 8.253 1.00 13.20 H new ATOM 0 HB3 LYS A 18 21.122 11.268 7.867 1.00 13.20 H new ATOM 0 HG2 LYS A 18 22.780 12.675 8.641 1.00 22.43 H new ATOM 0 HG3 LYS A 18 23.338 11.541 9.856 1.00 22.43 H new ATOM 0 HD2 LYS A 18 23.688 10.589 7.072 1.00 62.15 H new ATOM 0 HD3 LYS A 18 24.593 12.043 7.446 1.00 62.15 H new ATOM 0 HE2 LYS A 18 25.203 10.651 9.663 1.00 31.32 H new ATOM 0 HE3 LYS A 18 24.844 9.290 8.618 1.00 31.32 H new ATOM 0 HZ1 LYS A 18 27.180 9.874 8.528 1.00 35.50 H new ATOM 0 HZ2 LYS A 18 26.459 10.134 7.013 1.00 35.50 H new ATOM 0 HZ3 LYS A 18 26.806 11.452 8.025 1.00 35.50 H new ATOM 297 N LYS A 19 19.817 12.739 9.436 1.00 41.54 N ATOM 298 CA LYS A 19 18.691 13.654 9.312 1.00 32.33 C ATOM 299 C LYS A 19 18.483 14.071 7.860 1.00 3.15 C ATOM 300 O LYS A 19 17.447 13.786 7.264 1.00 32.10 O ATOM 301 CB LYS A 19 18.916 14.892 10.183 1.00 24.53 C ATOM 302 CG LYS A 19 18.162 14.855 11.501 1.00 45.11 C ATOM 303 CD LYS A 19 18.586 15.990 12.418 1.00 33.41 C ATOM 304 CE LYS A 19 17.773 16.001 13.704 1.00 60.23 C ATOM 305 NZ LYS A 19 18.492 15.326 14.820 1.00 72.23 N ATOM 0 H LYS A 19 20.721 13.149 9.200 1.00 41.54 H new ATOM 0 HA LYS A 19 17.795 13.135 9.652 1.00 32.33 H new ATOM 0 HB2 LYS A 19 19.982 14.993 10.387 1.00 24.53 H new ATOM 0 HB3 LYS A 19 18.612 15.778 9.625 1.00 24.53 H new ATOM 0 HG2 LYS A 19 17.091 14.921 11.310 1.00 45.11 H new ATOM 0 HG3 LYS A 19 18.340 13.900 11.996 1.00 45.11 H new ATOM 0 HD2 LYS A 19 19.645 15.890 12.657 1.00 33.41 H new ATOM 0 HD3 LYS A 19 18.464 16.942 11.901 1.00 33.41 H new ATOM 0 HE2 LYS A 19 17.551 17.031 13.985 1.00 60.23 H new ATOM 0 HE3 LYS A 19 16.818 15.504 13.534 1.00 60.23 H new ATOM 0 HZ1 LYS A 19 17.905 15.354 15.678 1.00 72.23 H new ATOM 0 HZ2 LYS A 19 18.681 14.336 14.563 1.00 72.23 H new ATOM 0 HZ3 LYS A 19 19.392 15.815 14.999 1.00 72.23 H new ATOM 319 N GLY A 20 19.479 14.749 7.297 1.00 70.22 N ATOM 320 CA GLY A 20 19.388 15.193 5.918 1.00 54.12 C ATOM 321 C GLY A 20 20.308 16.361 5.623 1.00 50.12 C ATOM 322 O GLY A 20 20.948 16.900 6.525 1.00 73.34 O ATOM 0 H GLY A 20 20.347 14.999 7.771 1.00 70.22 H new ATOM 0 HA2 GLY A 20 19.635 14.364 5.255 1.00 54.12 H new ATOM 0 HA3 GLY A 20 18.360 15.480 5.699 1.00 54.12 H new ATOM 326 N SER A 21 20.377 16.752 4.354 1.00 13.20 N ATOM 327 CA SER A 21 21.229 17.859 3.940 1.00 5.20 C ATOM 328 C SER A 21 20.545 18.703 2.869 1.00 22.02 C ATOM 329 O SER A 21 20.086 19.814 3.137 1.00 72.12 O ATOM 330 CB SER A 21 22.566 17.333 3.413 1.00 33.53 C ATOM 331 OG SER A 21 23.596 17.509 4.370 1.00 45.21 O ATOM 0 H SER A 21 19.852 16.317 3.595 1.00 13.20 H new ATOM 0 HA SER A 21 21.411 18.488 4.811 1.00 5.20 H new ATOM 0 HB2 SER A 21 22.472 16.276 3.165 1.00 33.53 H new ATOM 0 HB3 SER A 21 22.828 17.854 2.492 1.00 33.53 H new ATOM 0 HG SER A 21 24.439 17.163 4.010 1.00 45.21 H new ATOM 337 N LEU A 22 20.481 18.168 1.654 1.00 73.54 N ATOM 338 CA LEU A 22 19.853 18.870 0.542 1.00 74.52 C ATOM 339 C LEU A 22 19.693 17.946 -0.663 1.00 41.41 C ATOM 340 O LEU A 22 20.492 17.033 -0.869 1.00 0.40 O ATOM 341 CB LEU A 22 20.680 20.095 0.152 1.00 24.24 C ATOM 342 CG LEU A 22 20.167 21.441 0.663 1.00 13.12 C ATOM 343 CD1 LEU A 22 21.220 22.124 1.523 1.00 71.42 C ATOM 344 CD2 LEU A 22 19.766 22.336 -0.501 1.00 72.52 C ATOM 0 H LEU A 22 20.857 17.250 1.415 1.00 73.54 H new ATOM 0 HA LEU A 22 18.864 19.196 0.863 1.00 74.52 H new ATOM 0 HB2 LEU A 22 21.697 19.954 0.518 1.00 24.24 H new ATOM 0 HB3 LEU A 22 20.736 20.139 -0.936 1.00 24.24 H new ATOM 0 HG LEU A 22 19.286 21.261 1.279 1.00 13.12 H new ATOM 0 HD11 LEU A 22 20.836 23.081 1.877 1.00 71.42 H new ATOM 0 HD12 LEU A 22 21.459 21.490 2.377 1.00 71.42 H new ATOM 0 HD13 LEU A 22 22.120 22.291 0.932 1.00 71.42 H new ATOM 0 HD21 LEU A 22 19.403 23.290 -0.118 1.00 72.52 H new ATOM 0 HD22 LEU A 22 20.630 22.507 -1.143 1.00 72.52 H new ATOM 0 HD23 LEU A 22 18.977 21.852 -1.077 1.00 72.52 H new ATOM 356 N VAL A 23 18.656 18.192 -1.456 1.00 14.42 N ATOM 357 CA VAL A 23 18.392 17.387 -2.643 1.00 21.32 C ATOM 358 C VAL A 23 17.210 17.939 -3.431 1.00 44.43 C ATOM 359 O VAL A 23 16.226 18.401 -2.854 1.00 1.40 O ATOM 360 CB VAL A 23 18.108 15.919 -2.273 1.00 33.10 C ATOM 361 CG1 VAL A 23 16.933 15.830 -1.309 1.00 63.31 C ATOM 362 CG2 VAL A 23 17.844 15.095 -3.524 1.00 33.20 C ATOM 0 H VAL A 23 17.984 18.943 -1.298 1.00 14.42 H new ATOM 0 HA VAL A 23 19.289 17.432 -3.261 1.00 21.32 H new ATOM 0 HB VAL A 23 18.988 15.511 -1.776 1.00 33.10 H new ATOM 0 HG11 VAL A 23 16.746 14.786 -1.058 1.00 63.31 H new ATOM 0 HG12 VAL A 23 17.165 16.385 -0.400 1.00 63.31 H new ATOM 0 HG13 VAL A 23 16.045 16.255 -1.777 1.00 63.31 H new ATOM 0 HG21 VAL A 23 17.645 14.061 -3.243 1.00 33.20 H new ATOM 0 HG22 VAL A 23 16.980 15.500 -4.051 1.00 33.20 H new ATOM 0 HG23 VAL A 23 18.717 15.133 -4.176 1.00 33.20 H new ATOM 372 N LYS A 24 17.313 17.887 -4.755 1.00 13.13 N ATOM 373 CA LYS A 24 16.253 18.381 -5.625 1.00 52.22 C ATOM 374 C LYS A 24 16.177 17.562 -6.909 1.00 52.23 C ATOM 375 O LYS A 24 15.136 16.994 -7.235 1.00 70.12 O ATOM 376 CB LYS A 24 16.484 19.856 -5.961 1.00 72.35 C ATOM 377 CG LYS A 24 15.379 20.773 -5.467 1.00 45.41 C ATOM 378 CD LYS A 24 15.857 22.212 -5.359 1.00 42.43 C ATOM 379 CE LYS A 24 14.887 23.061 -4.552 1.00 0.22 C ATOM 380 NZ LYS A 24 13.820 23.650 -5.408 1.00 21.52 N ATOM 0 H LYS A 24 18.121 17.507 -5.249 1.00 13.13 H new ATOM 0 HA LYS A 24 15.306 18.281 -5.094 1.00 52.22 H new ATOM 0 HB2 LYS A 24 17.431 20.175 -5.526 1.00 72.35 H new ATOM 0 HB3 LYS A 24 16.578 19.963 -7.042 1.00 72.35 H new ATOM 0 HG2 LYS A 24 14.530 20.721 -6.148 1.00 45.41 H new ATOM 0 HG3 LYS A 24 15.029 20.431 -4.493 1.00 45.41 H new ATOM 0 HD2 LYS A 24 16.841 22.236 -4.890 1.00 42.43 H new ATOM 0 HD3 LYS A 24 15.970 22.635 -6.357 1.00 42.43 H new ATOM 0 HE2 LYS A 24 14.431 22.450 -3.773 1.00 0.22 H new ATOM 0 HE3 LYS A 24 15.434 23.860 -4.052 1.00 0.22 H new ATOM 0 HZ1 LYS A 24 13.180 24.221 -4.821 1.00 21.52 H new ATOM 0 HZ2 LYS A 24 14.253 24.253 -6.136 1.00 21.52 H new ATOM 0 HZ3 LYS A 24 13.282 22.887 -5.866 1.00 21.52 H new ATOM 394 N ASN A 25 17.289 17.505 -7.636 1.00 73.10 N ATOM 395 CA ASN A 25 17.349 16.755 -8.885 1.00 73.52 C ATOM 396 C ASN A 25 16.365 17.317 -9.906 1.00 24.42 C ATOM 397 O ASN A 25 15.492 18.116 -9.567 1.00 0.05 O ATOM 398 CB ASN A 25 17.046 15.276 -8.630 1.00 71.14 C ATOM 399 CG ASN A 25 18.166 14.368 -9.099 1.00 65.44 C ATOM 400 OD1 ASN A 25 18.931 14.719 -9.997 1.00 3.42 O ATOM 401 ND2 ASN A 25 18.269 13.192 -8.489 1.00 40.41 N ATOM 0 H ASN A 25 18.161 17.970 -7.381 1.00 73.10 H new ATOM 0 HA ASN A 25 18.357 16.850 -9.288 1.00 73.52 H new ATOM 0 HB2 ASN A 25 16.878 15.121 -7.564 1.00 71.14 H new ATOM 0 HB3 ASN A 25 16.123 15.004 -9.141 1.00 71.14 H new ATOM 0 HD21 ASN A 25 19.004 12.539 -8.761 1.00 40.41 H new ATOM 0 HD22 ASN A 25 17.613 12.942 -7.749 1.00 40.41 H new ATOM 408 N LEU A 26 16.513 16.896 -11.156 1.00 43.34 N ATOM 409 CA LEU A 26 15.638 17.357 -12.228 1.00 50.15 C ATOM 410 C LEU A 26 15.332 16.227 -13.206 1.00 62.41 C ATOM 411 O LEU A 26 15.859 16.192 -14.317 1.00 42.40 O ATOM 412 CB LEU A 26 16.282 18.528 -12.972 1.00 61.21 C ATOM 413 CG LEU A 26 15.347 19.368 -13.841 1.00 55.14 C ATOM 414 CD1 LEU A 26 14.676 20.453 -13.012 1.00 74.41 C ATOM 415 CD2 LEU A 26 16.108 19.979 -15.008 1.00 30.03 C ATOM 0 H LEU A 26 17.231 16.236 -11.453 1.00 43.34 H new ATOM 0 HA LEU A 26 14.702 17.689 -11.780 1.00 50.15 H new ATOM 0 HB2 LEU A 26 16.751 19.184 -12.239 1.00 61.21 H new ATOM 0 HB3 LEU A 26 17.079 18.136 -13.604 1.00 61.21 H new ATOM 0 HG LEU A 26 14.572 18.715 -14.241 1.00 55.14 H new ATOM 0 HD11 LEU A 26 14.014 21.040 -13.649 1.00 74.41 H new ATOM 0 HD12 LEU A 26 14.096 19.993 -12.212 1.00 74.41 H new ATOM 0 HD13 LEU A 26 15.436 21.104 -12.581 1.00 74.41 H new ATOM 0 HD21 LEU A 26 15.426 20.574 -15.616 1.00 30.03 H new ATOM 0 HD22 LEU A 26 16.906 20.617 -14.628 1.00 30.03 H new ATOM 0 HD23 LEU A 26 16.538 19.184 -15.618 1.00 30.03 H new ATOM 427 N HIS A 27 14.473 15.303 -12.784 1.00 42.14 N ATOM 428 CA HIS A 27 14.092 14.172 -13.624 1.00 65.42 C ATOM 429 C HIS A 27 12.866 13.463 -13.057 1.00 43.13 C ATOM 430 O HIS A 27 12.888 12.970 -11.930 1.00 44.13 O ATOM 431 CB HIS A 27 15.256 13.186 -13.743 1.00 54.42 C ATOM 432 CG HIS A 27 15.298 12.468 -15.057 1.00 54.03 C ATOM 433 ND1 HIS A 27 14.949 11.142 -15.201 1.00 35.02 N ATOM 434 CD2 HIS A 27 15.650 12.898 -16.292 1.00 24.43 C ATOM 435 CE1 HIS A 27 15.085 10.787 -16.465 1.00 51.42 C ATOM 436 NE2 HIS A 27 15.508 11.835 -17.149 1.00 42.15 N ATOM 0 H HIS A 27 14.028 15.315 -11.866 1.00 42.14 H new ATOM 0 HA HIS A 27 13.843 14.553 -14.615 1.00 65.42 H new ATOM 0 HB2 HIS A 27 16.193 13.724 -13.602 1.00 54.42 H new ATOM 0 HB3 HIS A 27 15.185 12.453 -12.939 1.00 54.42 H new ATOM 0 HD2 HIS A 27 15.981 13.892 -16.554 1.00 24.43 H new ATOM 0 HE1 HIS A 27 14.885 9.806 -16.871 1.00 51.42 H new ATOM 0 HE2 HIS A 27 15.698 11.852 -18.151 1.00 42.15 H new ATOM 445 N MET A 28 11.799 13.417 -13.847 1.00 40.10 N ATOM 446 CA MET A 28 10.563 12.769 -13.424 1.00 51.12 C ATOM 447 C MET A 28 10.178 11.651 -14.388 1.00 53.43 C ATOM 448 O MET A 28 10.339 10.469 -14.082 1.00 52.10 O ATOM 449 CB MET A 28 9.430 13.792 -13.334 1.00 32.12 C ATOM 450 CG MET A 28 9.456 14.616 -12.057 1.00 23.05 C ATOM 451 SD MET A 28 9.317 16.387 -12.370 1.00 4.24 S ATOM 452 CE MET A 28 10.734 17.003 -11.463 1.00 60.12 C ATOM 0 H MET A 28 11.765 13.820 -14.783 1.00 40.10 H new ATOM 0 HA MET A 28 10.729 12.334 -12.438 1.00 51.12 H new ATOM 0 HB2 MET A 28 9.488 14.463 -14.191 1.00 32.12 H new ATOM 0 HB3 MET A 28 8.475 13.271 -13.401 1.00 32.12 H new ATOM 0 HG2 MET A 28 8.639 14.300 -11.409 1.00 23.05 H new ATOM 0 HG3 MET A 28 10.384 14.418 -11.520 1.00 23.05 H new ATOM 0 HE1 MET A 28 10.785 18.087 -11.560 1.00 60.12 H new ATOM 0 HE2 MET A 28 10.636 16.737 -10.410 1.00 60.12 H new ATOM 0 HE3 MET A 28 11.645 16.559 -11.866 1.00 60.12 H new ATOM 462 N THR A 29 9.668 12.032 -15.556 1.00 41.43 N ATOM 463 CA THR A 29 9.259 11.062 -16.565 1.00 24.43 C ATOM 464 C THR A 29 8.172 10.138 -16.031 1.00 33.55 C ATOM 465 O THR A 29 7.795 10.220 -14.862 1.00 4.24 O ATOM 466 CB THR A 29 10.452 10.211 -17.041 1.00 31.52 C ATOM 467 OG1 THR A 29 11.682 10.812 -16.622 1.00 50.00 O ATOM 468 CG2 THR A 29 10.442 10.065 -18.556 1.00 31.31 C ATOM 0 H THR A 29 9.528 13.006 -15.826 1.00 41.43 H new ATOM 0 HA THR A 29 8.867 11.630 -17.409 1.00 24.43 H new ATOM 0 HB THR A 29 10.363 9.220 -16.596 1.00 31.52 H new ATOM 0 HG1 THR A 29 12.434 10.255 -16.913 1.00 50.00 H new ATOM 0 HG21 THR A 29 11.293 9.460 -18.869 1.00 31.31 H new ATOM 0 HG22 THR A 29 9.518 9.579 -18.869 1.00 31.31 H new ATOM 0 HG23 THR A 29 10.508 11.051 -19.017 1.00 31.31 H new ATOM 476 N GLU A 30 7.670 9.260 -16.892 1.00 41.43 N ATOM 477 CA GLU A 30 6.625 8.320 -16.504 1.00 15.33 C ATOM 478 C GLU A 30 5.332 9.057 -16.164 1.00 51.43 C ATOM 479 O GLU A 30 5.358 10.164 -15.629 1.00 30.51 O ATOM 480 CB GLU A 30 7.078 7.484 -15.307 1.00 33.11 C ATOM 481 CG GLU A 30 8.462 6.881 -15.475 1.00 51.15 C ATOM 482 CD GLU A 30 8.560 5.974 -16.688 1.00 53.51 C ATOM 483 OE1 GLU A 30 7.734 5.044 -16.801 1.00 11.30 O ATOM 484 OE2 GLU A 30 9.461 6.197 -17.524 1.00 53.42 O ATOM 0 H GLU A 30 7.970 9.180 -17.864 1.00 41.43 H new ATOM 0 HA GLU A 30 6.435 7.657 -17.348 1.00 15.33 H new ATOM 0 HB2 GLU A 30 7.069 8.109 -14.414 1.00 33.11 H new ATOM 0 HB3 GLU A 30 6.359 6.682 -15.142 1.00 33.11 H new ATOM 0 HG2 GLU A 30 9.195 7.683 -15.565 1.00 51.15 H new ATOM 0 HG3 GLU A 30 8.718 6.314 -14.580 1.00 51.15 H new ATOM 491 N GLU A 31 4.201 8.433 -16.482 1.00 64.15 N ATOM 492 CA GLU A 31 2.898 9.029 -16.212 1.00 72.43 C ATOM 493 C GLU A 31 1.953 8.008 -15.584 1.00 22.44 C ATOM 494 O GLU A 31 0.975 7.588 -16.203 1.00 60.42 O ATOM 495 CB GLU A 31 2.287 9.580 -17.502 1.00 35.20 C ATOM 496 CG GLU A 31 3.262 10.392 -18.339 1.00 32.40 C ATOM 497 CD GLU A 31 3.941 9.563 -19.411 1.00 62.40 C ATOM 498 OE1 GLU A 31 3.228 8.878 -20.172 1.00 54.11 O ATOM 499 OE2 GLU A 31 5.187 9.599 -19.487 1.00 41.01 O ATOM 0 H GLU A 31 4.162 7.516 -16.926 1.00 64.15 H new ATOM 0 HA GLU A 31 3.041 9.848 -15.508 1.00 72.43 H new ATOM 0 HB2 GLU A 31 1.912 8.750 -18.100 1.00 35.20 H new ATOM 0 HB3 GLU A 31 1.430 10.204 -17.250 1.00 35.20 H new ATOM 0 HG2 GLU A 31 2.731 11.220 -18.808 1.00 32.40 H new ATOM 0 HG3 GLU A 31 4.020 10.827 -17.687 1.00 32.40 H new ATOM 506 N VAL A 32 2.252 7.615 -14.350 1.00 55.32 N ATOM 507 CA VAL A 32 1.430 6.644 -13.638 1.00 61.12 C ATOM 508 C VAL A 32 0.650 7.309 -12.509 1.00 73.22 C ATOM 509 O VAL A 32 1.032 8.372 -12.020 1.00 35.14 O ATOM 510 CB VAL A 32 2.286 5.504 -13.053 1.00 51.41 C ATOM 511 CG1 VAL A 32 1.406 4.339 -12.630 1.00 32.43 C ATOM 512 CG2 VAL A 32 3.332 5.054 -14.062 1.00 21.53 C ATOM 0 H VAL A 32 3.057 7.954 -13.823 1.00 55.32 H new ATOM 0 HA VAL A 32 0.732 6.228 -14.364 1.00 61.12 H new ATOM 0 HB VAL A 32 2.803 5.877 -12.169 1.00 51.41 H new ATOM 0 HG11 VAL A 32 2.028 3.544 -12.219 1.00 32.43 H new ATOM 0 HG12 VAL A 32 0.698 4.674 -11.872 1.00 32.43 H new ATOM 0 HG13 VAL A 32 0.860 3.963 -13.495 1.00 32.43 H new ATOM 0 HG21 VAL A 32 3.928 4.248 -13.633 1.00 21.53 H new ATOM 0 HG22 VAL A 32 2.837 4.698 -14.965 1.00 21.53 H new ATOM 0 HG23 VAL A 32 3.982 5.893 -14.311 1.00 21.53 H new ATOM 522 N ILE A 33 -0.444 6.675 -12.100 1.00 43.14 N ATOM 523 CA ILE A 33 -1.278 7.203 -11.028 1.00 33.04 C ATOM 524 C ILE A 33 -1.740 6.094 -10.091 1.00 65.15 C ATOM 525 O ILE A 33 -2.175 5.031 -10.537 1.00 63.42 O ATOM 526 CB ILE A 33 -2.512 7.937 -11.585 1.00 21.33 C ATOM 527 CG1 ILE A 33 -2.094 9.240 -12.271 1.00 22.32 C ATOM 528 CG2 ILE A 33 -3.509 8.216 -10.469 1.00 15.23 C ATOM 529 CD1 ILE A 33 -3.239 9.963 -12.944 1.00 65.44 C ATOM 0 H ILE A 33 -0.773 5.794 -12.495 1.00 43.14 H new ATOM 0 HA ILE A 33 -0.664 7.911 -10.471 1.00 33.04 H new ATOM 0 HB ILE A 33 -2.992 7.298 -12.326 1.00 21.33 H new ATOM 0 HG12 ILE A 33 -1.642 9.901 -11.532 1.00 22.32 H new ATOM 0 HG13 ILE A 33 -1.327 9.020 -13.014 1.00 22.32 H new ATOM 0 HG21 ILE A 33 -4.376 8.735 -10.877 1.00 15.23 H new ATOM 0 HG22 ILE A 33 -3.827 7.274 -10.022 1.00 15.23 H new ATOM 0 HG23 ILE A 33 -3.038 8.839 -9.708 1.00 15.23 H new ATOM 0 HD11 ILE A 33 -2.869 10.877 -13.409 1.00 65.44 H new ATOM 0 HD12 ILE A 33 -3.677 9.320 -13.707 1.00 65.44 H new ATOM 0 HD13 ILE A 33 -3.997 10.214 -12.202 1.00 65.44 H new ATOM 541 N VAL A 34 -1.643 6.346 -8.789 1.00 41.21 N ATOM 542 CA VAL A 34 -2.054 5.369 -7.788 1.00 45.45 C ATOM 543 C VAL A 34 -3.329 5.810 -7.080 1.00 35.11 C ATOM 544 O VAL A 34 -3.825 6.914 -7.303 1.00 1.41 O ATOM 545 CB VAL A 34 -0.949 5.141 -6.739 1.00 5.41 C ATOM 546 CG1 VAL A 34 -1.110 6.109 -5.576 1.00 62.15 C ATOM 547 CG2 VAL A 34 -0.965 3.700 -6.252 1.00 55.20 C ATOM 0 H VAL A 34 -1.283 7.219 -8.403 1.00 41.21 H new ATOM 0 HA VAL A 34 -2.241 4.434 -8.317 1.00 45.45 H new ATOM 0 HB VAL A 34 0.017 5.330 -7.207 1.00 5.41 H new ATOM 0 HG11 VAL A 34 -0.321 5.934 -4.845 1.00 62.15 H new ATOM 0 HG12 VAL A 34 -1.043 7.133 -5.943 1.00 62.15 H new ATOM 0 HG13 VAL A 34 -2.081 5.955 -5.106 1.00 62.15 H new ATOM 0 HG21 VAL A 34 -0.178 3.557 -5.512 1.00 55.20 H new ATOM 0 HG22 VAL A 34 -1.932 3.479 -5.800 1.00 55.20 H new ATOM 0 HG23 VAL A 34 -0.796 3.029 -7.095 1.00 55.20 H new ATOM 557 N ILE A 35 -3.855 4.941 -6.225 1.00 72.23 N ATOM 558 CA ILE A 35 -5.072 5.241 -5.481 1.00 0.41 C ATOM 559 C ILE A 35 -4.984 4.726 -4.049 1.00 32.41 C ATOM 560 O ILE A 35 -4.692 3.554 -3.816 1.00 52.10 O ATOM 561 CB ILE A 35 -6.312 4.628 -6.160 1.00 61.23 C ATOM 562 CG1 ILE A 35 -6.447 5.148 -7.591 1.00 54.33 C ATOM 563 CG2 ILE A 35 -7.566 4.941 -5.356 1.00 25.25 C ATOM 564 CD1 ILE A 35 -7.639 4.582 -8.332 1.00 20.40 C ATOM 0 H ILE A 35 -3.457 4.022 -6.030 1.00 72.23 H new ATOM 0 HA ILE A 35 -5.173 6.326 -5.468 1.00 0.41 H new ATOM 0 HB ILE A 35 -6.189 3.546 -6.197 1.00 61.23 H new ATOM 0 HG12 ILE A 35 -6.527 6.235 -7.568 1.00 54.33 H new ATOM 0 HG13 ILE A 35 -5.539 4.907 -8.143 1.00 54.33 H new ATOM 0 HG21 ILE A 35 -8.433 4.501 -5.849 1.00 25.25 H new ATOM 0 HG22 ILE A 35 -7.469 4.525 -4.353 1.00 25.25 H new ATOM 0 HG23 ILE A 35 -7.695 6.021 -5.290 1.00 25.25 H new ATOM 0 HD11 ILE A 35 -7.671 4.996 -9.340 1.00 20.40 H new ATOM 0 HD12 ILE A 35 -7.551 3.497 -8.387 1.00 20.40 H new ATOM 0 HD13 ILE A 35 -8.555 4.845 -7.803 1.00 20.40 H new ATOM 576 N ALA A 36 -5.239 5.612 -3.092 1.00 35.23 N ATOM 577 CA ALA A 36 -5.192 5.247 -1.681 1.00 62.30 C ATOM 578 C ALA A 36 -6.398 4.397 -1.293 1.00 12.34 C ATOM 579 O ALA A 36 -7.540 4.852 -1.368 1.00 11.21 O ATOM 580 CB ALA A 36 -5.122 6.495 -0.814 1.00 51.45 C ATOM 0 H ALA A 36 -5.480 6.587 -3.268 1.00 35.23 H new ATOM 0 HA ALA A 36 -4.293 4.653 -1.515 1.00 62.30 H new ATOM 0 HB1 ALA A 36 -5.087 6.207 0.237 1.00 51.45 H new ATOM 0 HB2 ALA A 36 -4.225 7.062 -1.064 1.00 51.45 H new ATOM 0 HB3 ALA A 36 -6.003 7.112 -0.992 1.00 51.45 H new ATOM 586 N LYS A 37 -6.138 3.163 -0.878 1.00 4.30 N ATOM 587 CA LYS A 37 -7.201 2.249 -0.478 1.00 72.03 C ATOM 588 C LYS A 37 -7.877 2.728 0.803 1.00 4.14 C ATOM 589 O LYS A 37 -9.050 2.443 1.041 1.00 72.42 O ATOM 590 CB LYS A 37 -6.640 0.840 -0.274 1.00 13.03 C ATOM 591 CG LYS A 37 -5.727 0.380 -1.396 1.00 41.54 C ATOM 592 CD LYS A 37 -5.397 -1.099 -1.278 1.00 4.23 C ATOM 593 CE LYS A 37 -4.028 -1.315 -0.649 1.00 74.14 C ATOM 594 NZ LYS A 37 -3.215 -2.297 -1.418 1.00 52.01 N ATOM 0 H LYS A 37 -5.199 2.772 -0.810 1.00 4.30 H new ATOM 0 HA LYS A 37 -7.945 2.226 -1.274 1.00 72.03 H new ATOM 0 HB2 LYS A 37 -6.089 0.810 0.666 1.00 13.03 H new ATOM 0 HB3 LYS A 37 -7.469 0.138 -0.181 1.00 13.03 H new ATOM 0 HG2 LYS A 37 -6.205 0.571 -2.357 1.00 41.54 H new ATOM 0 HG3 LYS A 37 -4.805 0.962 -1.378 1.00 41.54 H new ATOM 0 HD2 LYS A 37 -6.158 -1.596 -0.676 1.00 4.23 H new ATOM 0 HD3 LYS A 37 -5.422 -1.559 -2.266 1.00 4.23 H new ATOM 0 HE2 LYS A 37 -3.497 -0.364 -0.598 1.00 74.14 H new ATOM 0 HE3 LYS A 37 -4.150 -1.667 0.375 1.00 74.14 H new ATOM 0 HZ1 LYS A 37 -2.697 -2.911 -0.758 1.00 52.01 H new ATOM 0 HZ2 LYS A 37 -3.842 -2.877 -2.011 1.00 52.01 H new ATOM 0 HZ3 LYS A 37 -2.538 -1.789 -2.023 1.00 52.01 H new ATOM 608 N TRP A 38 -7.130 3.460 1.622 1.00 1.42 N ATOM 609 CA TRP A 38 -7.658 3.981 2.877 1.00 60.01 C ATOM 610 C TRP A 38 -7.106 5.373 3.165 1.00 14.13 C ATOM 611 O TRP A 38 -6.449 5.978 2.317 1.00 34.23 O ATOM 612 CB TRP A 38 -7.316 3.036 4.030 1.00 43.10 C ATOM 613 CG TRP A 38 -7.205 1.602 3.609 1.00 20.52 C ATOM 614 CD1 TRP A 38 -6.056 0.891 3.412 1.00 73.23 C ATOM 615 CD2 TRP A 38 -8.287 0.706 3.331 1.00 73.42 C ATOM 616 NE1 TRP A 38 -6.357 -0.393 3.028 1.00 23.04 N ATOM 617 CE2 TRP A 38 -7.718 -0.533 2.972 1.00 74.51 C ATOM 618 CE3 TRP A 38 -9.678 0.826 3.352 1.00 12.24 C ATOM 619 CZ2 TRP A 38 -8.496 -1.638 2.637 1.00 41.33 C ATOM 620 CZ3 TRP A 38 -10.448 -0.272 3.018 1.00 22.24 C ATOM 621 CH2 TRP A 38 -9.855 -1.491 2.666 1.00 52.14 C ATOM 0 H TRP A 38 -6.157 3.706 1.439 1.00 1.42 H new ATOM 0 HA TRP A 38 -8.742 4.052 2.783 1.00 60.01 H new ATOM 0 HB2 TRP A 38 -6.374 3.349 4.480 1.00 43.10 H new ATOM 0 HB3 TRP A 38 -8.082 3.123 4.801 1.00 43.10 H new ATOM 0 HD1 TRP A 38 -5.057 1.281 3.539 1.00 73.23 H new ATOM 0 HE1 TRP A 38 -5.677 -1.124 2.819 1.00 23.04 H new ATOM 0 HE3 TRP A 38 -10.144 1.761 3.625 1.00 12.24 H new ATOM 0 HZ2 TRP A 38 -8.042 -2.579 2.364 1.00 41.33 H new ATOM 0 HZ3 TRP A 38 -11.525 -0.189 3.029 1.00 22.24 H new ATOM 0 HH2 TRP A 38 -10.484 -2.332 2.412 1.00 52.14 H new ATOM 632 N ASP A 39 -7.376 5.877 4.364 1.00 70.45 N ATOM 633 CA ASP A 39 -6.904 7.197 4.764 1.00 51.35 C ATOM 634 C ASP A 39 -5.787 7.087 5.797 1.00 72.25 C ATOM 635 O ASP A 39 -5.940 6.424 6.823 1.00 1.01 O ATOM 636 CB ASP A 39 -8.060 8.024 5.330 1.00 20.11 C ATOM 637 CG ASP A 39 -9.065 7.176 6.084 1.00 45.31 C ATOM 638 OD1 ASP A 39 -10.280 7.402 5.912 1.00 13.21 O ATOM 639 OD2 ASP A 39 -8.635 6.284 6.846 1.00 5.33 O ATOM 0 H ASP A 39 -7.920 5.391 5.077 1.00 70.45 H new ATOM 0 HA ASP A 39 -6.507 7.697 3.880 1.00 51.35 H new ATOM 0 HB2 ASP A 39 -7.663 8.790 5.996 1.00 20.11 H new ATOM 0 HB3 ASP A 39 -8.565 8.542 4.515 1.00 20.11 H new ATOM 645 N TYR A 40 -4.665 7.739 5.517 1.00 64.33 N ATOM 646 CA TYR A 40 -3.519 7.709 6.420 1.00 10.35 C ATOM 647 C TYR A 40 -3.069 9.125 6.773 1.00 60.23 C ATOM 648 O TYR A 40 -3.443 10.093 6.110 1.00 13.51 O ATOM 649 CB TYR A 40 -2.361 6.938 5.786 1.00 11.14 C ATOM 650 CG TYR A 40 -1.464 6.257 6.793 1.00 72.43 C ATOM 651 CD1 TYR A 40 -1.992 5.417 7.768 1.00 0.33 C ATOM 652 CD2 TYR A 40 -0.088 6.451 6.772 1.00 14.32 C ATOM 653 CE1 TYR A 40 -1.175 4.793 8.691 1.00 12.15 C ATOM 654 CE2 TYR A 40 0.735 5.830 7.691 1.00 25.03 C ATOM 655 CZ TYR A 40 0.188 5.002 8.649 1.00 50.43 C ATOM 656 OH TYR A 40 1.005 4.383 9.566 1.00 31.22 O ATOM 0 H TYR A 40 -4.523 8.294 4.673 1.00 64.33 H new ATOM 0 HA TYR A 40 -3.824 7.203 7.336 1.00 10.35 H new ATOM 0 HB2 TYR A 40 -2.764 6.188 5.106 1.00 11.14 H new ATOM 0 HB3 TYR A 40 -1.764 7.625 5.186 1.00 11.14 H new ATOM 0 HD1 TYR A 40 -3.058 5.250 7.804 1.00 0.33 H new ATOM 0 HD2 TYR A 40 0.345 7.099 6.024 1.00 14.32 H new ATOM 0 HE1 TYR A 40 -1.601 4.145 9.442 1.00 12.15 H new ATOM 0 HE2 TYR A 40 1.802 5.992 7.660 1.00 25.03 H new ATOM 0 HH TYR A 40 1.937 4.635 9.397 1.00 31.22 H new ATOM 666 N THR A 41 -2.262 9.237 7.822 1.00 21.23 N ATOM 667 CA THR A 41 -1.759 10.531 8.266 1.00 14.24 C ATOM 668 C THR A 41 -0.238 10.585 8.190 1.00 41.20 C ATOM 669 O THR A 41 0.448 9.655 8.610 1.00 21.34 O ATOM 670 CB THR A 41 -2.202 10.842 9.708 1.00 52.03 C ATOM 671 OG1 THR A 41 -1.760 12.150 10.085 1.00 22.44 O ATOM 672 CG2 THR A 41 -1.641 9.813 10.679 1.00 20.12 C ATOM 0 H THR A 41 -1.942 8.446 8.381 1.00 21.23 H new ATOM 0 HA THR A 41 -2.180 11.280 7.596 1.00 14.24 H new ATOM 0 HB THR A 41 -3.291 10.802 9.747 1.00 52.03 H new ATOM 0 HG1 THR A 41 -2.047 12.341 11.002 1.00 22.44 H new ATOM 0 HG21 THR A 41 -1.967 10.053 11.691 1.00 20.12 H new ATOM 0 HG22 THR A 41 -2.002 8.821 10.407 1.00 20.12 H new ATOM 0 HG23 THR A 41 -0.552 9.827 10.635 1.00 20.12 H new ATOM 680 N ALA A 42 0.285 11.683 7.652 1.00 12.42 N ATOM 681 CA ALA A 42 1.726 11.860 7.524 1.00 12.20 C ATOM 682 C ALA A 42 2.419 11.711 8.874 1.00 73.35 C ATOM 683 O ALA A 42 2.420 12.633 9.687 1.00 40.30 O ATOM 684 CB ALA A 42 2.039 13.219 6.917 1.00 15.25 C ATOM 0 H ALA A 42 -0.269 12.463 7.298 1.00 12.42 H new ATOM 0 HA ALA A 42 2.105 11.082 6.862 1.00 12.20 H new ATOM 0 HB1 ALA A 42 3.119 13.337 6.827 1.00 15.25 H new ATOM 0 HB2 ALA A 42 1.583 13.290 5.930 1.00 15.25 H new ATOM 0 HB3 ALA A 42 1.640 14.005 7.559 1.00 15.25 H new ATOM 690 N GLN A 43 3.006 10.540 9.105 1.00 4.30 N ATOM 691 CA GLN A 43 3.704 10.270 10.357 1.00 32.55 C ATOM 692 C GLN A 43 4.917 11.180 10.513 1.00 64.53 C ATOM 693 O GLN A 43 5.263 11.583 11.623 1.00 33.33 O ATOM 694 CB GLN A 43 4.137 8.804 10.418 1.00 70.15 C ATOM 695 CG GLN A 43 4.867 8.334 9.169 1.00 35.33 C ATOM 696 CD GLN A 43 4.057 7.339 8.362 1.00 54.04 C ATOM 697 OE1 GLN A 43 3.896 6.184 8.759 1.00 51.44 O ATOM 698 NE2 GLN A 43 3.544 7.782 7.220 1.00 41.34 N ATOM 0 H GLN A 43 3.012 9.764 8.442 1.00 4.30 H new ATOM 0 HA GLN A 43 3.016 10.472 11.178 1.00 32.55 H new ATOM 0 HB2 GLN A 43 4.784 8.660 11.283 1.00 70.15 H new ATOM 0 HB3 GLN A 43 3.257 8.180 10.571 1.00 70.15 H new ATOM 0 HG2 GLN A 43 5.104 9.196 8.545 1.00 35.33 H new ATOM 0 HG3 GLN A 43 5.815 7.878 9.456 1.00 35.33 H new ATOM 0 HE21 GLN A 43 3.703 8.747 6.930 1.00 41.34 H new ATOM 0 HE22 GLN A 43 2.991 7.157 6.633 1.00 41.34 H new ATOM 707 N GLN A 44 5.560 11.496 9.393 1.00 3.03 N ATOM 708 CA GLN A 44 6.737 12.358 9.407 1.00 33.43 C ATOM 709 C GLN A 44 6.674 13.381 8.278 1.00 4.53 C ATOM 710 O GLN A 44 5.904 13.229 7.331 1.00 45.35 O ATOM 711 CB GLN A 44 8.011 11.519 9.283 1.00 15.34 C ATOM 712 CG GLN A 44 8.083 10.372 10.277 1.00 51.30 C ATOM 713 CD GLN A 44 9.311 9.506 10.080 1.00 63.11 C ATOM 714 OE1 GLN A 44 9.205 8.236 10.449 1.00 1.51 O flip ATOM 715 NE2 GLN A 44 10.344 9.974 9.602 1.00 60.54 N flip ATOM 0 H GLN A 44 5.287 11.169 8.466 1.00 3.03 H new ATOM 0 HA GLN A 44 6.755 12.893 10.357 1.00 33.43 H new ATOM 0 HB2 GLN A 44 8.074 11.117 8.272 1.00 15.34 H new ATOM 0 HB3 GLN A 44 8.877 12.166 9.424 1.00 15.34 H new ATOM 0 HG2 GLN A 44 8.085 10.774 11.290 1.00 51.30 H new ATOM 0 HG3 GLN A 44 7.189 9.756 10.180 1.00 51.30 H new ATOM 0 HE21 GLN A 44 10.381 10.957 9.332 1.00 60.54 H new ATOM 0 HE22 GLN A 44 11.163 9.379 9.476 1.00 60.54 H new ATOM 724 N ASP A 45 7.491 14.424 8.388 1.00 31.20 N ATOM 725 CA ASP A 45 7.529 15.473 7.376 1.00 32.40 C ATOM 726 C ASP A 45 7.914 14.901 6.015 1.00 65.00 C ATOM 727 O ASP A 45 7.572 15.465 4.975 1.00 3.32 O ATOM 728 CB ASP A 45 8.518 16.566 7.781 1.00 2.23 C ATOM 729 CG ASP A 45 7.986 17.442 8.898 1.00 4.11 C ATOM 730 OD1 ASP A 45 8.643 17.517 9.959 1.00 42.31 O ATOM 731 OD2 ASP A 45 6.914 18.055 8.713 1.00 42.41 O ATOM 0 H ASP A 45 8.135 14.565 9.167 1.00 31.20 H new ATOM 0 HA ASP A 45 6.532 15.906 7.300 1.00 32.40 H new ATOM 0 HB2 ASP A 45 9.454 16.106 8.098 1.00 2.23 H new ATOM 0 HB3 ASP A 45 8.745 17.186 6.914 1.00 2.23 H new ATOM 737 N GLN A 46 8.629 13.781 6.030 1.00 33.51 N ATOM 738 CA GLN A 46 9.061 13.135 4.797 1.00 53.04 C ATOM 739 C GLN A 46 7.911 12.369 4.151 1.00 62.14 C ATOM 740 O GLN A 46 7.808 12.302 2.927 1.00 15.43 O ATOM 741 CB GLN A 46 10.228 12.187 5.075 1.00 20.30 C ATOM 742 CG GLN A 46 11.590 12.787 4.762 1.00 33.44 C ATOM 743 CD GLN A 46 12.734 11.958 5.312 1.00 30.05 C ATOM 744 OE1 GLN A 46 12.956 10.825 4.884 1.00 42.51 O ATOM 745 NE2 GLN A 46 13.467 12.520 6.265 1.00 23.32 N ATOM 0 H GLN A 46 8.921 13.302 6.882 1.00 33.51 H new ATOM 0 HA GLN A 46 9.389 13.911 4.106 1.00 53.04 H new ATOM 0 HB2 GLN A 46 10.203 11.892 6.124 1.00 20.30 H new ATOM 0 HB3 GLN A 46 10.096 11.280 4.485 1.00 20.30 H new ATOM 0 HG2 GLN A 46 11.701 12.881 3.682 1.00 33.44 H new ATOM 0 HG3 GLN A 46 11.643 13.793 5.177 1.00 33.44 H new ATOM 0 HE21 GLN A 46 13.247 13.462 6.589 1.00 23.32 H new ATOM 0 HE22 GLN A 46 14.251 12.010 6.673 1.00 23.32 H new ATOM 754 N GLU A 47 7.049 11.792 4.982 1.00 63.40 N ATOM 755 CA GLU A 47 5.908 11.029 4.491 1.00 45.12 C ATOM 756 C GLU A 47 4.797 11.960 4.015 1.00 13.54 C ATOM 757 O GLU A 47 4.856 13.173 4.221 1.00 0.15 O ATOM 758 CB GLU A 47 5.377 10.101 5.586 1.00 2.05 C ATOM 759 CG GLU A 47 6.469 9.354 6.333 1.00 72.11 C ATOM 760 CD GLU A 47 7.556 8.836 5.412 1.00 61.35 C ATOM 761 OE1 GLU A 47 7.246 7.995 4.541 1.00 44.22 O ATOM 762 OE2 GLU A 47 8.718 9.271 5.562 1.00 34.41 O ATOM 0 H GLU A 47 7.119 11.839 5.999 1.00 63.40 H new ATOM 0 HA GLU A 47 6.242 10.427 3.646 1.00 45.12 H new ATOM 0 HB2 GLU A 47 4.797 10.688 6.298 1.00 2.05 H new ATOM 0 HB3 GLU A 47 4.695 9.378 5.139 1.00 2.05 H new ATOM 0 HG2 GLU A 47 6.913 10.016 7.077 1.00 72.11 H new ATOM 0 HG3 GLU A 47 6.027 8.517 6.874 1.00 72.11 H new ATOM 769 N LEU A 48 3.784 11.385 3.376 1.00 64.14 N ATOM 770 CA LEU A 48 2.659 12.161 2.868 1.00 20.45 C ATOM 771 C LEU A 48 1.354 11.723 3.527 1.00 64.13 C ATOM 772 O LEU A 48 1.315 10.723 4.245 1.00 61.11 O ATOM 773 CB LEU A 48 2.553 12.011 1.349 1.00 21.42 C ATOM 774 CG LEU A 48 1.929 13.188 0.601 1.00 14.35 C ATOM 775 CD1 LEU A 48 2.770 13.558 -0.610 1.00 4.30 C ATOM 776 CD2 LEU A 48 0.503 12.859 0.181 1.00 23.42 C ATOM 0 H LEU A 48 3.719 10.383 3.197 1.00 64.14 H new ATOM 0 HA LEU A 48 2.834 13.209 3.111 1.00 20.45 H new ATOM 0 HB2 LEU A 48 3.553 11.842 0.950 1.00 21.42 H new ATOM 0 HB3 LEU A 48 1.968 11.117 1.132 1.00 21.42 H new ATOM 0 HG LEU A 48 1.900 14.045 1.274 1.00 14.35 H new ATOM 0 HD11 LEU A 48 2.310 14.398 -1.130 1.00 4.30 H new ATOM 0 HD12 LEU A 48 3.772 13.837 -0.285 1.00 4.30 H new ATOM 0 HD13 LEU A 48 2.832 12.704 -1.285 1.00 4.30 H new ATOM 0 HD21 LEU A 48 0.075 13.709 -0.350 1.00 23.42 H new ATOM 0 HD22 LEU A 48 0.508 11.987 -0.473 1.00 23.42 H new ATOM 0 HD23 LEU A 48 -0.097 12.645 1.066 1.00 23.42 H new ATOM 788 N ASP A 49 0.289 12.476 3.276 1.00 13.04 N ATOM 789 CA ASP A 49 -1.019 12.165 3.842 1.00 71.11 C ATOM 790 C ASP A 49 -1.991 11.724 2.752 1.00 42.31 C ATOM 791 O ASP A 49 -2.142 12.398 1.731 1.00 64.33 O ATOM 792 CB ASP A 49 -1.580 13.378 4.584 1.00 35.23 C ATOM 793 CG ASP A 49 -2.742 13.017 5.487 1.00 23.54 C ATOM 794 OD1 ASP A 49 -2.675 13.332 6.694 1.00 31.14 O ATOM 795 OD2 ASP A 49 -3.719 12.420 4.989 1.00 74.04 O ATOM 0 H ASP A 49 0.305 13.307 2.684 1.00 13.04 H new ATOM 0 HA ASP A 49 -0.896 11.344 4.548 1.00 71.11 H new ATOM 0 HB2 ASP A 49 -0.789 13.834 5.179 1.00 35.23 H new ATOM 0 HB3 ASP A 49 -1.905 14.125 3.860 1.00 35.23 H new ATOM 801 N ILE A 50 -2.647 10.590 2.973 1.00 31.34 N ATOM 802 CA ILE A 50 -3.605 10.062 2.011 1.00 33.21 C ATOM 803 C ILE A 50 -4.995 9.943 2.626 1.00 40.14 C ATOM 804 O ILE A 50 -5.141 9.859 3.846 1.00 3.50 O ATOM 805 CB ILE A 50 -3.168 8.681 1.484 1.00 0.50 C ATOM 806 CG1 ILE A 50 -2.703 7.793 2.639 1.00 32.42 C ATOM 807 CG2 ILE A 50 -2.065 8.835 0.448 1.00 41.31 C ATOM 808 CD1 ILE A 50 -3.269 6.391 2.589 1.00 21.11 C ATOM 0 H ILE A 50 -2.532 10.019 3.810 1.00 31.34 H new ATOM 0 HA ILE A 50 -3.639 10.766 1.180 1.00 33.21 H new ATOM 0 HB ILE A 50 -4.024 8.203 1.007 1.00 0.50 H new ATOM 0 HG12 ILE A 50 -1.614 7.737 2.628 1.00 32.42 H new ATOM 0 HG13 ILE A 50 -2.989 8.258 3.582 1.00 32.42 H new ATOM 0 HG21 ILE A 50 -1.767 7.851 0.085 1.00 41.31 H new ATOM 0 HG22 ILE A 50 -2.430 9.434 -0.386 1.00 41.31 H new ATOM 0 HG23 ILE A 50 -1.206 9.330 0.902 1.00 41.31 H new ATOM 0 HD11 ILE A 50 -2.897 5.818 3.438 1.00 21.11 H new ATOM 0 HD12 ILE A 50 -4.357 6.436 2.631 1.00 21.11 H new ATOM 0 HD13 ILE A 50 -2.961 5.907 1.662 1.00 21.11 H new ATOM 820 N LYS A 51 -6.014 9.930 1.774 1.00 12.34 N ATOM 821 CA LYS A 51 -7.394 9.819 2.232 1.00 72.23 C ATOM 822 C LYS A 51 -8.172 8.823 1.376 1.00 21.34 C ATOM 823 O LYS A 51 -7.778 8.517 0.251 1.00 73.33 O ATOM 824 CB LYS A 51 -8.079 11.186 2.193 1.00 0.21 C ATOM 825 CG LYS A 51 -8.674 11.607 3.526 1.00 65.22 C ATOM 826 CD LYS A 51 -9.658 12.752 3.361 1.00 53.31 C ATOM 827 CE LYS A 51 -10.233 13.191 4.698 1.00 5.23 C ATOM 828 NZ LYS A 51 -11.440 14.046 4.531 1.00 4.20 N ATOM 0 H LYS A 51 -5.910 9.995 0.761 1.00 12.34 H new ATOM 0 HA LYS A 51 -7.381 9.457 3.260 1.00 72.23 H new ATOM 0 HB2 LYS A 51 -7.356 11.936 1.874 1.00 0.21 H new ATOM 0 HB3 LYS A 51 -8.869 11.166 1.442 1.00 0.21 H new ATOM 0 HG2 LYS A 51 -9.178 10.757 3.985 1.00 65.22 H new ATOM 0 HG3 LYS A 51 -7.875 11.908 4.203 1.00 65.22 H new ATOM 0 HD2 LYS A 51 -9.159 13.596 2.884 1.00 53.31 H new ATOM 0 HD3 LYS A 51 -10.468 12.445 2.699 1.00 53.31 H new ATOM 0 HE2 LYS A 51 -10.490 12.312 5.289 1.00 5.23 H new ATOM 0 HE3 LYS A 51 -9.474 13.739 5.257 1.00 5.23 H new ATOM 0 HZ1 LYS A 51 -11.801 14.324 5.466 1.00 4.20 H new ATOM 0 HZ2 LYS A 51 -11.190 14.898 3.990 1.00 4.20 H new ATOM 0 HZ3 LYS A 51 -12.174 13.515 4.021 1.00 4.20 H new ATOM 842 N LYS A 52 -9.277 8.324 1.917 1.00 75.34 N ATOM 843 CA LYS A 52 -10.113 7.364 1.203 1.00 13.43 C ATOM 844 C LYS A 52 -10.393 7.841 -0.219 1.00 2.03 C ATOM 845 O LYS A 52 -10.869 8.957 -0.427 1.00 73.35 O ATOM 846 CB LYS A 52 -11.431 7.150 1.950 1.00 34.32 C ATOM 847 CG LYS A 52 -11.368 6.048 2.992 1.00 15.50 C ATOM 848 CD LYS A 52 -11.203 4.680 2.347 1.00 11.43 C ATOM 849 CE LYS A 52 -12.390 4.336 1.461 1.00 73.04 C ATOM 850 NZ LYS A 52 -12.326 2.932 0.968 1.00 41.11 N ATOM 0 H LYS A 52 -9.616 8.568 2.848 1.00 75.34 H new ATOM 0 HA LYS A 52 -9.575 6.418 1.151 1.00 13.43 H new ATOM 0 HB2 LYS A 52 -11.719 8.082 2.436 1.00 34.32 H new ATOM 0 HB3 LYS A 52 -12.213 6.912 1.229 1.00 34.32 H new ATOM 0 HG2 LYS A 52 -10.535 6.234 3.670 1.00 15.50 H new ATOM 0 HG3 LYS A 52 -12.278 6.061 3.592 1.00 15.50 H new ATOM 0 HD2 LYS A 52 -10.288 4.664 1.754 1.00 11.43 H new ATOM 0 HD3 LYS A 52 -11.094 3.922 3.122 1.00 11.43 H new ATOM 0 HE2 LYS A 52 -13.315 4.483 2.019 1.00 73.04 H new ATOM 0 HE3 LYS A 52 -12.419 5.018 0.611 1.00 73.04 H new ATOM 0 HZ1 LYS A 52 -12.728 2.882 0.010 1.00 41.11 H new ATOM 0 HZ2 LYS A 52 -11.335 2.617 0.944 1.00 41.11 H new ATOM 0 HZ3 LYS A 52 -12.870 2.315 1.605 1.00 41.11 H new ATOM 864 N ASN A 53 -10.096 6.988 -1.194 1.00 32.21 N ATOM 865 CA ASN A 53 -10.317 7.322 -2.596 1.00 60.42 C ATOM 866 C ASN A 53 -9.493 8.540 -3.002 1.00 61.52 C ATOM 867 O ASN A 53 -10.029 9.522 -3.513 1.00 72.21 O ATOM 868 CB ASN A 53 -11.801 7.590 -2.851 1.00 31.25 C ATOM 869 CG ASN A 53 -12.103 7.833 -4.316 1.00 21.32 C ATOM 870 OD1 ASN A 53 -11.214 7.762 -5.165 1.00 71.54 O ATOM 871 ND2 ASN A 53 -13.363 8.123 -4.621 1.00 11.01 N ATOM 0 H ASN A 53 -9.702 6.060 -1.039 1.00 32.21 H new ATOM 0 HA ASN A 53 -9.999 6.472 -3.200 1.00 60.42 H new ATOM 0 HB2 ASN A 53 -12.386 6.741 -2.499 1.00 31.25 H new ATOM 0 HB3 ASN A 53 -12.116 8.457 -2.270 1.00 31.25 H new ATOM 0 HD21 ASN A 53 -13.626 8.297 -5.591 1.00 11.01 H new ATOM 0 HD22 ASN A 53 -14.068 8.171 -3.885 1.00 11.01 H new ATOM 878 N GLU A 54 -8.185 8.467 -2.771 1.00 71.35 N ATOM 879 CA GLU A 54 -7.287 9.563 -3.112 1.00 74.13 C ATOM 880 C GLU A 54 -6.280 9.131 -4.173 1.00 42.34 C ATOM 881 O GLU A 54 -5.493 8.208 -3.960 1.00 30.43 O ATOM 882 CB GLU A 54 -6.550 10.055 -1.864 1.00 21.12 C ATOM 883 CG GLU A 54 -5.487 11.101 -2.159 1.00 22.22 C ATOM 884 CD GLU A 54 -5.607 12.321 -1.266 1.00 45.24 C ATOM 885 OE1 GLU A 54 -5.029 12.304 -0.158 1.00 64.04 O ATOM 886 OE2 GLU A 54 -6.277 13.292 -1.674 1.00 74.23 O ATOM 0 H GLU A 54 -7.725 7.660 -2.349 1.00 71.35 H new ATOM 0 HA GLU A 54 -7.887 10.378 -3.516 1.00 74.13 H new ATOM 0 HB2 GLU A 54 -7.275 10.472 -1.165 1.00 21.12 H new ATOM 0 HB3 GLU A 54 -6.083 9.204 -1.369 1.00 21.12 H new ATOM 0 HG2 GLU A 54 -4.500 10.657 -2.031 1.00 22.22 H new ATOM 0 HG3 GLU A 54 -5.565 11.409 -3.202 1.00 22.22 H new ATOM 893 N ARG A 55 -6.311 9.805 -5.319 1.00 71.11 N ATOM 894 CA ARG A 55 -5.403 9.490 -6.415 1.00 13.21 C ATOM 895 C ARG A 55 -4.249 10.487 -6.468 1.00 11.34 C ATOM 896 O ARG A 55 -4.395 11.645 -6.072 1.00 60.04 O ATOM 897 CB ARG A 55 -6.156 9.494 -7.746 1.00 42.40 C ATOM 898 CG ARG A 55 -7.108 10.668 -7.905 1.00 23.14 C ATOM 899 CD ARG A 55 -7.439 10.924 -9.367 1.00 32.03 C ATOM 900 NE ARG A 55 -7.199 12.314 -9.747 1.00 74.32 N ATOM 901 CZ ARG A 55 -7.705 12.874 -10.840 1.00 42.45 C ATOM 902 NH1 ARG A 55 -8.475 12.166 -11.656 1.00 43.50 N ATOM 903 NH2 ARG A 55 -7.441 14.144 -11.119 1.00 73.12 N ATOM 0 H ARG A 55 -6.955 10.572 -5.512 1.00 71.11 H new ATOM 0 HA ARG A 55 -4.993 8.495 -6.240 1.00 13.21 H new ATOM 0 HB2 ARG A 55 -5.434 9.510 -8.562 1.00 42.40 H new ATOM 0 HB3 ARG A 55 -6.720 8.565 -7.837 1.00 42.40 H new ATOM 0 HG2 ARG A 55 -8.026 10.470 -7.352 1.00 23.14 H new ATOM 0 HG3 ARG A 55 -6.661 11.562 -7.470 1.00 23.14 H new ATOM 0 HD2 ARG A 55 -6.837 10.267 -9.995 1.00 32.03 H new ATOM 0 HD3 ARG A 55 -8.483 10.673 -9.552 1.00 32.03 H new ATOM 0 HE ARG A 55 -6.611 12.885 -9.140 1.00 74.32 H new ATOM 0 HH11 ARG A 55 -8.680 11.189 -11.445 1.00 43.50 H new ATOM 0 HH12 ARG A 55 -8.862 12.598 -12.495 1.00 43.50 H new ATOM 0 HH21 ARG A 55 -6.849 14.691 -10.494 1.00 73.12 H new ATOM 0 HH22 ARG A 55 -7.830 14.573 -11.959 1.00 73.12 H new ATOM 917 N LEU A 56 -3.102 10.030 -6.961 1.00 23.44 N ATOM 918 CA LEU A 56 -1.922 10.881 -7.065 1.00 10.40 C ATOM 919 C LEU A 56 -1.041 10.448 -8.232 1.00 11.55 C ATOM 920 O LEU A 56 -1.318 9.449 -8.895 1.00 23.34 O ATOM 921 CB LEU A 56 -1.121 10.838 -5.762 1.00 10.33 C ATOM 922 CG LEU A 56 -1.446 11.927 -4.739 1.00 43.25 C ATOM 923 CD1 LEU A 56 -2.531 11.454 -3.784 1.00 64.23 C ATOM 924 CD2 LEU A 56 -0.195 12.327 -3.971 1.00 63.42 C ATOM 0 H LEU A 56 -2.965 9.076 -7.294 1.00 23.44 H new ATOM 0 HA LEU A 56 -2.255 11.903 -7.245 1.00 10.40 H new ATOM 0 HB2 LEU A 56 -1.280 9.867 -5.293 1.00 10.33 H new ATOM 0 HB3 LEU A 56 -0.061 10.903 -6.008 1.00 10.33 H new ATOM 0 HG LEU A 56 -1.816 12.802 -5.273 1.00 43.25 H new ATOM 0 HD11 LEU A 56 -2.750 12.242 -3.063 1.00 64.23 H new ATOM 0 HD12 LEU A 56 -3.434 11.217 -4.347 1.00 64.23 H new ATOM 0 HD13 LEU A 56 -2.189 10.564 -3.256 1.00 64.23 H new ATOM 0 HD21 LEU A 56 -0.445 13.103 -3.247 1.00 63.42 H new ATOM 0 HD22 LEU A 56 0.204 11.458 -3.448 1.00 63.42 H new ATOM 0 HD23 LEU A 56 0.553 12.707 -4.667 1.00 63.42 H new ATOM 936 N TRP A 57 0.022 11.207 -8.477 1.00 35.01 N ATOM 937 CA TRP A 57 0.945 10.901 -9.563 1.00 53.13 C ATOM 938 C TRP A 57 2.086 10.015 -9.075 1.00 21.12 C ATOM 939 O TRP A 57 2.933 10.452 -8.294 1.00 31.31 O ATOM 940 CB TRP A 57 1.506 12.192 -10.163 1.00 61.41 C ATOM 941 CG TRP A 57 0.573 12.848 -11.136 1.00 4.21 C ATOM 942 CD1 TRP A 57 0.748 12.968 -12.485 1.00 11.15 C ATOM 943 CD2 TRP A 57 -0.677 13.477 -10.833 1.00 22.11 C ATOM 944 NE1 TRP A 57 -0.321 13.634 -13.038 1.00 45.35 N ATOM 945 CE2 TRP A 57 -1.207 13.955 -12.046 1.00 70.20 C ATOM 946 CE3 TRP A 57 -1.401 13.680 -9.654 1.00 51.04 C ATOM 947 CZ2 TRP A 57 -2.426 14.625 -12.113 1.00 0.31 C ATOM 948 CZ3 TRP A 57 -2.611 14.344 -9.723 1.00 3.20 C ATOM 949 CH2 TRP A 57 -3.114 14.810 -10.945 1.00 20.23 C ATOM 0 H TRP A 57 0.265 12.038 -7.938 1.00 35.01 H new ATOM 0 HA TRP A 57 0.394 10.361 -10.333 1.00 53.13 H new ATOM 0 HB2 TRP A 57 1.730 12.891 -9.358 1.00 61.41 H new ATOM 0 HB3 TRP A 57 2.448 11.972 -10.665 1.00 61.41 H new ATOM 0 HD1 TRP A 57 1.599 12.595 -13.036 1.00 11.15 H new ATOM 0 HE1 TRP A 57 -0.435 13.853 -14.028 1.00 45.35 H new ATOM 0 HE3 TRP A 57 -1.022 13.325 -8.707 1.00 51.04 H new ATOM 0 HZ2 TRP A 57 -2.815 14.986 -13.054 1.00 0.31 H new ATOM 0 HZ3 TRP A 57 -3.179 14.507 -8.819 1.00 3.20 H new ATOM 0 HH2 TRP A 57 -4.063 15.325 -10.965 1.00 20.23 H new ATOM 960 N LEU A 58 2.104 8.770 -9.538 1.00 32.30 N ATOM 961 CA LEU A 58 3.142 7.823 -9.147 1.00 32.35 C ATOM 962 C LEU A 58 4.503 8.256 -9.683 1.00 72.23 C ATOM 963 O LEU A 58 4.679 8.432 -10.890 1.00 3.22 O ATOM 964 CB LEU A 58 2.801 6.423 -9.659 1.00 61.21 C ATOM 965 CG LEU A 58 2.682 5.331 -8.596 1.00 74.52 C ATOM 966 CD1 LEU A 58 2.536 3.963 -9.248 1.00 35.24 C ATOM 967 CD2 LEU A 58 3.889 5.354 -7.669 1.00 30.31 C ATOM 0 H LEU A 58 1.411 8.393 -10.185 1.00 32.30 H new ATOM 0 HA LEU A 58 3.191 7.803 -8.058 1.00 32.35 H new ATOM 0 HB2 LEU A 58 1.858 6.477 -10.203 1.00 61.21 H new ATOM 0 HB3 LEU A 58 3.566 6.123 -10.375 1.00 61.21 H new ATOM 0 HG LEU A 58 1.789 5.526 -8.003 1.00 74.52 H new ATOM 0 HD11 LEU A 58 2.453 3.199 -8.475 1.00 35.24 H new ATOM 0 HD12 LEU A 58 1.641 3.950 -9.869 1.00 35.24 H new ATOM 0 HD13 LEU A 58 3.410 3.760 -9.867 1.00 35.24 H new ATOM 0 HD21 LEU A 58 3.787 4.570 -6.919 1.00 30.31 H new ATOM 0 HD22 LEU A 58 4.796 5.185 -8.249 1.00 30.31 H new ATOM 0 HD23 LEU A 58 3.950 6.323 -7.174 1.00 30.31 H new ATOM 979 N LEU A 59 5.463 8.422 -8.782 1.00 20.52 N ATOM 980 CA LEU A 59 6.809 8.831 -9.163 1.00 43.25 C ATOM 981 C LEU A 59 7.739 7.625 -9.257 1.00 72.42 C ATOM 982 O LEU A 59 8.128 7.212 -10.349 1.00 11.12 O ATOM 983 CB LEU A 59 7.364 9.839 -8.154 1.00 14.23 C ATOM 984 CG LEU A 59 6.558 11.127 -7.980 1.00 43.23 C ATOM 985 CD1 LEU A 59 7.300 12.104 -7.083 1.00 62.25 C ATOM 986 CD2 LEU A 59 6.266 11.759 -9.333 1.00 55.32 C ATOM 0 H LEU A 59 5.334 8.279 -7.780 1.00 20.52 H new ATOM 0 HA LEU A 59 6.753 9.302 -10.144 1.00 43.25 H new ATOM 0 HB2 LEU A 59 7.440 9.348 -7.184 1.00 14.23 H new ATOM 0 HB3 LEU A 59 8.377 10.106 -8.456 1.00 14.23 H new ATOM 0 HG LEU A 59 5.609 10.878 -7.504 1.00 43.23 H new ATOM 0 HD11 LEU A 59 6.711 13.014 -6.971 1.00 62.25 H new ATOM 0 HD12 LEU A 59 7.458 11.651 -6.104 1.00 62.25 H new ATOM 0 HD13 LEU A 59 8.264 12.348 -7.530 1.00 62.25 H new ATOM 0 HD21 LEU A 59 5.692 12.674 -9.191 1.00 55.32 H new ATOM 0 HD22 LEU A 59 7.205 11.994 -9.835 1.00 55.32 H new ATOM 0 HD23 LEU A 59 5.692 11.062 -9.944 1.00 55.32 H new ATOM 998 N ASP A 60 8.090 7.065 -8.104 1.00 2.02 N ATOM 999 CA ASP A 60 8.971 5.904 -8.056 1.00 60.14 C ATOM 1000 C ASP A 60 8.448 4.865 -7.069 1.00 54.31 C ATOM 1001 O ASP A 60 8.413 5.102 -5.863 1.00 5.34 O ATOM 1002 CB ASP A 60 10.388 6.328 -7.665 1.00 71.51 C ATOM 1003 CG ASP A 60 11.450 5.639 -8.500 1.00 72.24 C ATOM 1004 OD1 ASP A 60 11.902 4.545 -8.100 1.00 20.41 O ATOM 1005 OD2 ASP A 60 11.827 6.191 -9.553 1.00 52.01 O ATOM 0 H ASP A 60 7.778 7.396 -7.191 1.00 2.02 H new ATOM 0 HA ASP A 60 8.995 5.456 -9.049 1.00 60.14 H new ATOM 0 HB2 ASP A 60 10.485 7.408 -7.778 1.00 71.51 H new ATOM 0 HB3 ASP A 60 10.554 6.101 -6.612 1.00 71.51 H new ATOM 1011 N ASP A 61 8.041 3.712 -7.592 1.00 13.41 N ATOM 1012 CA ASP A 61 7.520 2.637 -6.757 1.00 55.41 C ATOM 1013 C ASP A 61 8.354 1.370 -6.917 1.00 4.31 C ATOM 1014 O ASP A 61 7.982 0.457 -7.655 1.00 12.34 O ATOM 1015 CB ASP A 61 6.059 2.348 -7.115 1.00 21.10 C ATOM 1016 CG ASP A 61 5.784 2.509 -8.597 1.00 31.15 C ATOM 1017 OD1 ASP A 61 5.598 1.482 -9.281 1.00 64.05 O ATOM 1018 OD2 ASP A 61 5.751 3.664 -9.070 1.00 15.31 O ATOM 0 H ASP A 61 8.062 3.499 -8.589 1.00 13.41 H new ATOM 0 HA ASP A 61 7.577 2.958 -5.717 1.00 55.41 H new ATOM 0 HB2 ASP A 61 5.807 1.332 -6.810 1.00 21.10 H new ATOM 0 HB3 ASP A 61 5.410 3.020 -6.553 1.00 21.10 H new ATOM 1024 N SER A 62 9.486 1.323 -6.222 1.00 51.22 N ATOM 1025 CA SER A 62 10.378 0.171 -6.291 1.00 71.11 C ATOM 1026 C SER A 62 10.373 -0.600 -4.974 1.00 3.32 C ATOM 1027 O SER A 62 10.209 -1.820 -4.955 1.00 33.14 O ATOM 1028 CB SER A 62 11.801 0.620 -6.627 1.00 42.34 C ATOM 1029 OG SER A 62 12.114 0.350 -7.983 1.00 42.44 O ATOM 0 H SER A 62 9.807 2.069 -5.605 1.00 51.22 H new ATOM 0 HA SER A 62 10.018 -0.489 -7.080 1.00 71.11 H new ATOM 0 HB2 SER A 62 11.904 1.687 -6.432 1.00 42.34 H new ATOM 0 HB3 SER A 62 12.510 0.107 -5.978 1.00 42.34 H new ATOM 0 HG SER A 62 13.028 0.648 -8.173 1.00 42.44 H new ATOM 1035 N LYS A 63 10.555 0.123 -3.873 1.00 13.33 N ATOM 1036 CA LYS A 63 10.570 -0.489 -2.550 1.00 44.21 C ATOM 1037 C LYS A 63 9.162 -0.576 -1.974 1.00 55.10 C ATOM 1038 O LYS A 63 8.200 -0.105 -2.583 1.00 60.21 O ATOM 1039 CB LYS A 63 11.470 0.312 -1.606 1.00 42.15 C ATOM 1040 CG LYS A 63 12.866 -0.270 -1.456 1.00 34.33 C ATOM 1041 CD LYS A 63 13.798 0.692 -0.739 1.00 13.14 C ATOM 1042 CE LYS A 63 15.111 0.856 -1.486 1.00 2.45 C ATOM 1043 NZ LYS A 63 15.887 -0.414 -1.531 1.00 52.14 N ATOM 0 H LYS A 63 10.694 1.133 -3.872 1.00 13.33 H new ATOM 0 HA LYS A 63 10.965 -1.500 -2.650 1.00 44.21 H new ATOM 0 HB2 LYS A 63 11.550 1.335 -1.974 1.00 42.15 H new ATOM 0 HB3 LYS A 63 10.999 0.362 -0.624 1.00 42.15 H new ATOM 0 HG2 LYS A 63 12.813 -1.207 -0.902 1.00 34.33 H new ATOM 0 HG3 LYS A 63 13.271 -0.504 -2.440 1.00 34.33 H new ATOM 0 HD2 LYS A 63 13.313 1.663 -0.637 1.00 13.14 H new ATOM 0 HD3 LYS A 63 13.995 0.327 0.269 1.00 13.14 H new ATOM 0 HE2 LYS A 63 14.910 1.195 -2.502 1.00 2.45 H new ATOM 0 HE3 LYS A 63 15.709 1.630 -1.004 1.00 2.45 H new ATOM 0 HZ1 LYS A 63 16.798 -0.248 -2.004 1.00 52.14 H new ATOM 0 HZ2 LYS A 63 16.057 -0.752 -0.562 1.00 52.14 H new ATOM 0 HZ3 LYS A 63 15.349 -1.131 -2.058 1.00 52.14 H new ATOM 1057 N THR A 64 9.043 -1.180 -0.795 1.00 43.41 N ATOM 1058 CA THR A 64 7.752 -1.327 -0.136 1.00 63.25 C ATOM 1059 C THR A 64 6.973 -0.018 -0.154 1.00 12.40 C ATOM 1060 O THR A 64 5.753 -0.013 -0.324 1.00 22.10 O ATOM 1061 CB THR A 64 7.916 -1.794 1.322 1.00 73.23 C ATOM 1062 OG1 THR A 64 6.737 -1.482 2.072 1.00 15.22 O ATOM 1063 CG2 THR A 64 9.124 -1.135 1.970 1.00 13.13 C ATOM 0 H THR A 64 9.827 -1.576 -0.277 1.00 43.41 H new ATOM 0 HA THR A 64 7.198 -2.083 -0.692 1.00 63.25 H new ATOM 0 HB THR A 64 8.070 -2.873 1.319 1.00 73.23 H new ATOM 0 HG1 THR A 64 5.947 -1.800 1.587 1.00 15.22 H new ATOM 0 HG21 THR A 64 9.219 -1.481 2.999 1.00 13.13 H new ATOM 0 HG22 THR A 64 10.024 -1.399 1.414 1.00 13.13 H new ATOM 0 HG23 THR A 64 8.996 -0.053 1.961 1.00 13.13 H new ATOM 1071 N TRP A 65 7.685 1.091 0.019 1.00 34.33 N ATOM 1072 CA TRP A 65 7.057 2.407 0.022 1.00 71.43 C ATOM 1073 C TRP A 65 7.155 3.060 -1.353 1.00 12.31 C ATOM 1074 O TRP A 65 8.192 2.988 -2.012 1.00 70.55 O ATOM 1075 CB TRP A 65 7.713 3.304 1.074 1.00 12.13 C ATOM 1076 CG TRP A 65 7.188 3.076 2.459 1.00 14.45 C ATOM 1077 CD1 TRP A 65 7.325 1.946 3.212 1.00 60.35 C ATOM 1078 CD2 TRP A 65 6.442 4.003 3.256 1.00 54.12 C ATOM 1079 NE1 TRP A 65 6.707 2.112 4.428 1.00 24.30 N ATOM 1080 CE2 TRP A 65 6.159 3.367 4.480 1.00 63.01 C ATOM 1081 CE3 TRP A 65 5.985 5.308 3.054 1.00 52.33 C ATOM 1082 CZ2 TRP A 65 5.441 3.993 5.495 1.00 21.54 C ATOM 1083 CZ3 TRP A 65 5.272 5.928 4.063 1.00 12.50 C ATOM 1084 CH2 TRP A 65 5.006 5.271 5.271 1.00 22.44 C ATOM 0 H TRP A 65 8.695 1.105 0.159 1.00 34.33 H new ATOM 0 HA TRP A 65 6.003 2.279 0.269 1.00 71.43 H new ATOM 0 HB2 TRP A 65 8.789 3.132 1.068 1.00 12.13 H new ATOM 0 HB3 TRP A 65 7.556 4.347 0.801 1.00 12.13 H new ATOM 0 HD1 TRP A 65 7.843 1.052 2.898 1.00 60.35 H new ATOM 0 HE1 TRP A 65 6.663 1.415 5.171 1.00 24.30 H new ATOM 0 HE3 TRP A 65 6.185 5.823 2.126 1.00 52.33 H new ATOM 0 HZ2 TRP A 65 5.234 3.488 6.427 1.00 21.54 H new ATOM 0 HZ3 TRP A 65 4.914 6.936 3.917 1.00 12.50 H new ATOM 0 HH2 TRP A 65 4.447 5.783 6.040 1.00 22.44 H new ATOM 1095 N TRP A 66 6.069 3.695 -1.780 1.00 23.15 N ATOM 1096 CA TRP A 66 6.035 4.361 -3.077 1.00 74.11 C ATOM 1097 C TRP A 66 5.947 5.873 -2.910 1.00 31.55 C ATOM 1098 O TRP A 66 5.405 6.369 -1.922 1.00 63.41 O ATOM 1099 CB TRP A 66 4.848 3.857 -3.899 1.00 12.32 C ATOM 1100 CG TRP A 66 4.868 2.375 -4.125 1.00 63.43 C ATOM 1101 CD1 TRP A 66 5.909 1.524 -3.886 1.00 23.55 C ATOM 1102 CD2 TRP A 66 3.799 1.572 -4.639 1.00 24.50 C ATOM 1103 NE1 TRP A 66 5.551 0.239 -4.218 1.00 2.11 N ATOM 1104 CE2 TRP A 66 4.263 0.242 -4.682 1.00 71.13 C ATOM 1105 CE3 TRP A 66 2.497 1.846 -5.063 1.00 34.22 C ATOM 1106 CZ2 TRP A 66 3.469 -0.808 -5.135 1.00 33.31 C ATOM 1107 CZ3 TRP A 66 1.710 0.802 -5.512 1.00 71.11 C ATOM 1108 CH2 TRP A 66 2.197 -0.511 -5.545 1.00 71.10 C ATOM 0 H TRP A 66 5.202 3.763 -1.248 1.00 23.15 H new ATOM 0 HA TRP A 66 6.960 4.126 -3.604 1.00 74.11 H new ATOM 0 HB2 TRP A 66 3.922 4.127 -3.391 1.00 12.32 H new ATOM 0 HB3 TRP A 66 4.842 4.364 -4.864 1.00 12.32 H new ATOM 0 HD1 TRP A 66 6.872 1.817 -3.494 1.00 23.55 H new ATOM 0 HE1 TRP A 66 6.148 -0.583 -4.133 1.00 2.11 H new ATOM 0 HE3 TRP A 66 2.112 2.855 -5.041 1.00 34.22 H new ATOM 0 HZ2 TRP A 66 3.843 -1.821 -5.162 1.00 33.31 H new ATOM 0 HZ3 TRP A 66 0.702 1.002 -5.843 1.00 71.11 H new ATOM 0 HH2 TRP A 66 1.557 -1.304 -5.901 1.00 71.10 H new ATOM 1119 N ARG A 67 6.484 6.603 -3.883 1.00 1.33 N ATOM 1120 CA ARG A 67 6.467 8.062 -3.843 1.00 73.33 C ATOM 1121 C ARG A 67 5.551 8.625 -4.926 1.00 71.50 C ATOM 1122 O ARG A 67 5.700 8.306 -6.105 1.00 54.33 O ATOM 1123 CB ARG A 67 7.882 8.614 -4.018 1.00 25.41 C ATOM 1124 CG ARG A 67 7.924 10.110 -4.281 1.00 63.42 C ATOM 1125 CD ARG A 67 9.170 10.746 -3.686 1.00 72.12 C ATOM 1126 NE ARG A 67 8.844 11.807 -2.737 1.00 33.05 N ATOM 1127 CZ ARG A 67 9.732 12.680 -2.276 1.00 43.00 C ATOM 1128 NH1 ARG A 67 10.995 12.618 -2.674 1.00 74.14 N ATOM 1129 NH2 ARG A 67 9.358 13.617 -1.414 1.00 72.40 N ATOM 0 H ARG A 67 6.936 6.209 -4.708 1.00 1.33 H new ATOM 0 HA ARG A 67 6.082 8.370 -2.871 1.00 73.33 H new ATOM 0 HB2 ARG A 67 8.462 8.395 -3.121 1.00 25.41 H new ATOM 0 HB3 ARG A 67 8.366 8.095 -4.845 1.00 25.41 H new ATOM 0 HG2 ARG A 67 7.899 10.292 -5.355 1.00 63.42 H new ATOM 0 HG3 ARG A 67 7.037 10.580 -3.857 1.00 63.42 H new ATOM 0 HD2 ARG A 67 9.763 9.981 -3.185 1.00 72.12 H new ATOM 0 HD3 ARG A 67 9.787 11.153 -4.487 1.00 72.12 H new ATOM 0 HE ARG A 67 7.881 11.882 -2.410 1.00 33.05 H new ATOM 0 HH11 ARG A 67 11.286 11.899 -3.336 1.00 74.14 H new ATOM 0 HH12 ARG A 67 11.675 13.290 -2.319 1.00 74.14 H new ATOM 0 HH21 ARG A 67 8.387 13.667 -1.105 1.00 72.40 H new ATOM 0 HH22 ARG A 67 10.041 14.287 -1.061 1.00 72.40 H new ATOM 1143 N VAL A 68 4.605 9.462 -4.516 1.00 4.43 N ATOM 1144 CA VAL A 68 3.667 10.071 -5.451 1.00 75.00 C ATOM 1145 C VAL A 68 3.565 11.576 -5.228 1.00 32.13 C ATOM 1146 O VAL A 68 4.137 12.112 -4.280 1.00 44.22 O ATOM 1147 CB VAL A 68 2.263 9.449 -5.322 1.00 2.22 C ATOM 1148 CG1 VAL A 68 2.308 7.961 -5.633 1.00 41.14 C ATOM 1149 CG2 VAL A 68 1.697 9.694 -3.931 1.00 15.01 C ATOM 0 H VAL A 68 4.467 9.734 -3.543 1.00 4.43 H new ATOM 0 HA VAL A 68 4.052 9.881 -6.453 1.00 75.00 H new ATOM 0 HB VAL A 68 1.605 9.928 -6.047 1.00 2.22 H new ATOM 0 HG11 VAL A 68 1.308 7.539 -5.537 1.00 41.14 H new ATOM 0 HG12 VAL A 68 2.668 7.813 -6.651 1.00 41.14 H new ATOM 0 HG13 VAL A 68 2.981 7.463 -4.934 1.00 41.14 H new ATOM 0 HG21 VAL A 68 0.705 9.248 -3.858 1.00 15.01 H new ATOM 0 HG22 VAL A 68 2.353 9.243 -3.187 1.00 15.01 H new ATOM 0 HG23 VAL A 68 1.627 10.767 -3.751 1.00 15.01 H new ATOM 1159 N ARG A 69 2.833 12.251 -6.107 1.00 73.21 N ATOM 1160 CA ARG A 69 2.657 13.696 -6.006 1.00 62.02 C ATOM 1161 C ARG A 69 1.183 14.073 -6.127 1.00 45.04 C ATOM 1162 O ARG A 69 0.452 13.510 -6.940 1.00 71.03 O ATOM 1163 CB ARG A 69 3.466 14.406 -7.092 1.00 51.24 C ATOM 1164 CG ARG A 69 3.365 15.920 -7.033 1.00 3.40 C ATOM 1165 CD ARG A 69 2.890 16.499 -8.358 1.00 12.31 C ATOM 1166 NE ARG A 69 3.997 17.003 -9.165 1.00 21.05 N ATOM 1167 CZ ARG A 69 3.837 17.792 -10.221 1.00 72.21 C ATOM 1168 NH1 ARG A 69 2.621 18.165 -10.597 1.00 15.24 N ATOM 1169 NH2 ARG A 69 4.894 18.210 -10.905 1.00 44.31 N ATOM 0 H ARG A 69 2.352 11.822 -6.897 1.00 73.21 H new ATOM 0 HA ARG A 69 3.017 14.014 -5.028 1.00 62.02 H new ATOM 0 HB2 ARG A 69 4.513 14.116 -7.001 1.00 51.24 H new ATOM 0 HB3 ARG A 69 3.124 14.065 -8.069 1.00 51.24 H new ATOM 0 HG2 ARG A 69 2.675 16.209 -6.240 1.00 3.40 H new ATOM 0 HG3 ARG A 69 4.338 16.341 -6.778 1.00 3.40 H new ATOM 0 HD2 ARG A 69 2.354 15.732 -8.917 1.00 12.31 H new ATOM 0 HD3 ARG A 69 2.183 17.307 -8.168 1.00 12.31 H new ATOM 0 HE ARG A 69 4.946 16.734 -8.903 1.00 21.05 H new ATOM 0 HH11 ARG A 69 1.805 17.846 -10.075 1.00 15.24 H new ATOM 0 HH12 ARG A 69 2.502 18.771 -11.409 1.00 15.24 H new ATOM 0 HH21 ARG A 69 5.831 17.925 -10.620 1.00 44.31 H new ATOM 0 HH22 ARG A 69 4.770 18.816 -11.716 1.00 44.31 H new ATOM 1183 N ASN A 70 0.755 15.030 -5.310 1.00 20.23 N ATOM 1184 CA ASN A 70 -0.632 15.483 -5.324 1.00 50.54 C ATOM 1185 C ASN A 70 -0.813 16.652 -6.287 1.00 41.30 C ATOM 1186 O ASN A 70 0.123 17.047 -6.983 1.00 72.44 O ATOM 1187 CB ASN A 70 -1.070 15.894 -3.916 1.00 14.32 C ATOM 1188 CG ASN A 70 -0.009 16.700 -3.192 1.00 51.54 C ATOM 1189 OD1 ASN A 70 0.843 17.331 -3.820 1.00 71.34 O ATOM 1190 ND2 ASN A 70 -0.054 16.680 -1.866 1.00 11.25 N ATOM 0 H ASN A 70 1.348 15.507 -4.630 1.00 20.23 H new ATOM 0 HA ASN A 70 -1.255 14.656 -5.664 1.00 50.54 H new ATOM 0 HB2 ASN A 70 -1.987 16.480 -3.980 1.00 14.32 H new ATOM 0 HB3 ASN A 70 -1.303 15.001 -3.336 1.00 14.32 H new ATOM 0 HD21 ASN A 70 0.635 17.201 -1.324 1.00 11.25 H new ATOM 0 HD22 ASN A 70 -0.778 16.143 -1.388 1.00 11.25 H new ATOM 1197 N ALA A 71 -2.021 17.203 -6.321 1.00 15.22 N ATOM 1198 CA ALA A 71 -2.325 18.328 -7.196 1.00 22.53 C ATOM 1199 C ALA A 71 -1.649 19.603 -6.704 1.00 1.41 C ATOM 1200 O ALA A 71 -1.624 20.613 -7.407 1.00 22.15 O ATOM 1201 CB ALA A 71 -3.830 18.530 -7.294 1.00 41.40 C ATOM 0 H ALA A 71 -2.807 16.888 -5.752 1.00 15.22 H new ATOM 0 HA ALA A 71 -1.936 18.100 -8.188 1.00 22.53 H new ATOM 0 HB1 ALA A 71 -4.042 19.374 -7.951 1.00 41.40 H new ATOM 0 HB2 ALA A 71 -4.292 17.630 -7.699 1.00 41.40 H new ATOM 0 HB3 ALA A 71 -4.235 18.731 -6.302 1.00 41.40 H new ATOM 1207 N ALA A 72 -1.105 19.549 -5.493 1.00 10.11 N ATOM 1208 CA ALA A 72 -0.427 20.700 -4.909 1.00 34.43 C ATOM 1209 C ALA A 72 1.043 20.737 -5.312 1.00 54.12 C ATOM 1210 O ALA A 72 1.812 21.558 -4.815 1.00 53.25 O ATOM 1211 CB ALA A 72 -0.560 20.676 -3.393 1.00 24.13 C ATOM 0 H ALA A 72 -1.120 18.721 -4.897 1.00 10.11 H new ATOM 0 HA ALA A 72 -0.903 21.603 -5.292 1.00 34.43 H new ATOM 0 HB1 ALA A 72 -0.049 21.541 -2.969 1.00 24.13 H new ATOM 0 HB2 ALA A 72 -1.615 20.707 -3.120 1.00 24.13 H new ATOM 0 HB3 ALA A 72 -0.111 19.763 -3.003 1.00 24.13 H new ATOM 1217 N ASN A 73 1.426 19.840 -6.216 1.00 34.31 N ATOM 1218 CA ASN A 73 2.804 19.769 -6.686 1.00 30.31 C ATOM 1219 C ASN A 73 3.725 19.229 -5.594 1.00 13.34 C ATOM 1220 O ASN A 73 4.936 19.122 -5.785 1.00 14.11 O ATOM 1221 CB ASN A 73 3.284 21.151 -7.136 1.00 22.54 C ATOM 1222 CG ASN A 73 4.547 21.586 -6.418 1.00 71.23 C ATOM 1223 OD1 ASN A 73 5.647 21.497 -6.965 1.00 42.15 O ATOM 1224 ND2 ASN A 73 4.396 22.059 -5.187 1.00 24.33 N ATOM 0 H ASN A 73 0.801 19.153 -6.637 1.00 34.31 H new ATOM 0 HA ASN A 73 2.837 19.086 -7.535 1.00 30.31 H new ATOM 0 HB2 ASN A 73 3.467 21.137 -8.211 1.00 22.54 H new ATOM 0 HB3 ASN A 73 2.496 21.883 -6.956 1.00 22.54 H new ATOM 0 HD21 ASN A 73 5.210 22.366 -4.655 1.00 24.33 H new ATOM 0 HD22 ASN A 73 3.466 22.115 -4.773 1.00 24.33 H new ATOM 1231 N ARG A 74 3.139 18.892 -4.449 1.00 73.25 N ATOM 1232 CA ARG A 74 3.905 18.364 -3.327 1.00 11.34 C ATOM 1233 C ARG A 74 4.227 16.888 -3.534 1.00 71.31 C ATOM 1234 O ARG A 74 3.429 16.140 -4.102 1.00 61.13 O ATOM 1235 CB ARG A 74 3.129 18.549 -2.021 1.00 42.42 C ATOM 1236 CG ARG A 74 4.004 18.489 -0.780 1.00 65.54 C ATOM 1237 CD ARG A 74 4.406 19.878 -0.313 1.00 13.25 C ATOM 1238 NE ARG A 74 5.785 20.198 -0.669 1.00 41.40 N ATOM 1239 CZ ARG A 74 6.840 19.772 0.015 1.00 60.34 C ATOM 1240 NH1 ARG A 74 6.674 19.010 1.087 1.00 44.04 N ATOM 1241 NH2 ARG A 74 8.064 20.105 -0.373 1.00 44.24 N ATOM 0 H ARG A 74 2.137 18.975 -4.275 1.00 73.25 H new ATOM 0 HA ARG A 74 4.842 18.917 -3.267 1.00 11.34 H new ATOM 0 HB2 ARG A 74 2.615 19.510 -2.047 1.00 42.42 H new ATOM 0 HB3 ARG A 74 2.361 17.778 -1.952 1.00 42.42 H new ATOM 0 HG2 ARG A 74 3.469 17.976 0.019 1.00 65.54 H new ATOM 0 HG3 ARG A 74 4.898 17.903 -0.992 1.00 65.54 H new ATOM 0 HD2 ARG A 74 3.737 20.617 -0.755 1.00 13.25 H new ATOM 0 HD3 ARG A 74 4.286 19.946 0.768 1.00 13.25 H new ATOM 0 HE ARG A 74 5.947 20.782 -1.490 1.00 41.40 H new ATOM 0 HH11 ARG A 74 5.735 18.750 1.387 1.00 44.04 H new ATOM 0 HH12 ARG A 74 7.486 18.684 1.611 1.00 44.04 H new ATOM 0 HH21 ARG A 74 8.196 20.690 -1.198 1.00 44.24 H new ATOM 0 HH22 ARG A 74 8.873 19.777 0.154 1.00 44.24 H new ATOM 1255 N THR A 75 5.403 16.473 -3.072 1.00 73.01 N ATOM 1256 CA THR A 75 5.831 15.087 -3.209 1.00 12.11 C ATOM 1257 C THR A 75 6.188 14.485 -1.855 1.00 23.45 C ATOM 1258 O THR A 75 6.934 15.080 -1.077 1.00 75.43 O ATOM 1259 CB THR A 75 7.047 14.965 -4.148 1.00 71.22 C ATOM 1260 OG1 THR A 75 7.899 16.105 -3.997 1.00 23.45 O ATOM 1261 CG2 THR A 75 6.601 14.847 -5.598 1.00 55.33 C ATOM 0 H THR A 75 6.075 17.077 -2.600 1.00 73.01 H new ATOM 0 HA THR A 75 4.992 14.538 -3.638 1.00 12.11 H new ATOM 0 HB THR A 75 7.597 14.063 -3.879 1.00 71.22 H new ATOM 0 HG1 THR A 75 8.670 16.019 -4.596 1.00 23.45 H new ATOM 0 HG21 THR A 75 7.476 14.762 -6.242 1.00 55.33 H new ATOM 0 HG22 THR A 75 5.977 13.961 -5.716 1.00 55.33 H new ATOM 0 HG23 THR A 75 6.030 15.733 -5.876 1.00 55.33 H new ATOM 1269 N GLY A 76 5.651 13.301 -1.578 1.00 50.02 N ATOM 1270 CA GLY A 76 5.925 12.639 -0.317 1.00 25.42 C ATOM 1271 C GLY A 76 5.986 11.131 -0.453 1.00 54.20 C ATOM 1272 O GLY A 76 5.972 10.601 -1.566 1.00 72.24 O ATOM 0 H GLY A 76 5.031 12.789 -2.205 1.00 50.02 H new ATOM 0 HA2 GLY A 76 6.872 13.003 0.082 1.00 25.42 H new ATOM 0 HA3 GLY A 76 5.152 12.904 0.404 1.00 25.42 H new ATOM 1276 N TYR A 77 6.054 10.437 0.677 1.00 54.11 N ATOM 1277 CA TYR A 77 6.121 8.980 0.677 1.00 31.32 C ATOM 1278 C TYR A 77 4.854 8.376 1.273 1.00 42.14 C ATOM 1279 O TYR A 77 4.170 9.008 2.078 1.00 70.34 O ATOM 1280 CB TYR A 77 7.344 8.506 1.464 1.00 45.04 C ATOM 1281 CG TYR A 77 8.656 8.764 0.758 1.00 0.53 C ATOM 1282 CD1 TYR A 77 9.124 7.897 -0.222 1.00 11.53 C ATOM 1283 CD2 TYR A 77 9.428 9.878 1.069 1.00 75.22 C ATOM 1284 CE1 TYR A 77 10.323 8.130 -0.868 1.00 74.23 C ATOM 1285 CE2 TYR A 77 10.626 10.118 0.427 1.00 61.11 C ATOM 1286 CZ TYR A 77 11.069 9.242 -0.542 1.00 21.40 C ATOM 1287 OH TYR A 77 12.263 9.478 -1.185 1.00 44.13 O ATOM 0 H TYR A 77 6.064 10.860 1.605 1.00 54.11 H new ATOM 0 HA TYR A 77 6.209 8.646 -0.357 1.00 31.32 H new ATOM 0 HB2 TYR A 77 7.358 9.005 2.433 1.00 45.04 H new ATOM 0 HB3 TYR A 77 7.249 7.438 1.658 1.00 45.04 H new ATOM 0 HD1 TYR A 77 8.541 7.026 -0.483 1.00 11.53 H new ATOM 0 HD2 TYR A 77 9.084 10.567 1.826 1.00 75.22 H new ATOM 0 HE1 TYR A 77 10.674 7.444 -1.625 1.00 74.23 H new ATOM 0 HE2 TYR A 77 11.214 10.987 0.682 1.00 61.11 H new ATOM 0 HH TYR A 77 12.663 10.303 -0.839 1.00 44.13 H new ATOM 1297 N VAL A 78 4.546 7.147 0.871 1.00 1.51 N ATOM 1298 CA VAL A 78 3.363 6.455 1.366 1.00 52.11 C ATOM 1299 C VAL A 78 3.524 4.943 1.257 1.00 72.45 C ATOM 1300 O VAL A 78 4.158 4.425 0.336 1.00 23.21 O ATOM 1301 CB VAL A 78 2.099 6.882 0.595 1.00 53.41 C ATOM 1302 CG1 VAL A 78 1.594 8.225 1.099 1.00 62.44 C ATOM 1303 CG2 VAL A 78 2.381 6.934 -0.899 1.00 13.02 C ATOM 0 H VAL A 78 5.100 6.610 0.204 1.00 1.51 H new ATOM 0 HA VAL A 78 3.251 6.731 2.415 1.00 52.11 H new ATOM 0 HB VAL A 78 1.319 6.141 0.769 1.00 53.41 H new ATOM 0 HG11 VAL A 78 0.701 8.510 0.543 1.00 62.44 H new ATOM 0 HG12 VAL A 78 1.352 8.148 2.159 1.00 62.44 H new ATOM 0 HG13 VAL A 78 2.366 8.981 0.957 1.00 62.44 H new ATOM 0 HG21 VAL A 78 1.478 7.237 -1.429 1.00 13.02 H new ATOM 0 HG22 VAL A 78 3.176 7.654 -1.094 1.00 13.02 H new ATOM 0 HG23 VAL A 78 2.691 5.948 -1.245 1.00 13.02 H new ATOM 1313 N PRO A 79 2.937 4.214 2.218 1.00 73.52 N ATOM 1314 CA PRO A 79 3.001 2.749 2.252 1.00 53.31 C ATOM 1315 C PRO A 79 2.188 2.107 1.132 1.00 2.44 C ATOM 1316 O PRO A 79 0.997 2.380 0.982 1.00 4.54 O ATOM 1317 CB PRO A 79 2.402 2.400 3.615 1.00 24.43 C ATOM 1318 CG PRO A 79 1.513 3.548 3.945 1.00 1.44 C ATOM 1319 CD PRO A 79 2.166 4.763 3.346 1.00 1.24 C ATOM 0 HA PRO A 79 4.018 2.382 2.111 1.00 53.31 H new ATOM 0 HB2 PRO A 79 1.842 1.466 3.574 1.00 24.43 H new ATOM 0 HB3 PRO A 79 3.180 2.273 4.368 1.00 24.43 H new ATOM 0 HG2 PRO A 79 0.514 3.399 3.534 1.00 1.44 H new ATOM 0 HG3 PRO A 79 1.401 3.657 5.024 1.00 1.44 H new ATOM 0 HD2 PRO A 79 1.428 5.492 3.011 1.00 1.24 H new ATOM 0 HD3 PRO A 79 2.810 5.269 4.065 1.00 1.24 H new ATOM 1327 N SER A 80 2.839 1.254 0.349 1.00 2.20 N ATOM 1328 CA SER A 80 2.177 0.576 -0.760 1.00 71.10 C ATOM 1329 C SER A 80 1.070 -0.343 -0.250 1.00 41.04 C ATOM 1330 O SER A 80 0.229 -0.804 -1.020 1.00 72.14 O ATOM 1331 CB SER A 80 3.192 -0.231 -1.571 1.00 45.31 C ATOM 1332 OG SER A 80 3.622 -1.376 -0.857 1.00 10.13 O ATOM 0 H SER A 80 3.824 1.015 0.461 1.00 2.20 H new ATOM 0 HA SER A 80 1.730 1.334 -1.403 1.00 71.10 H new ATOM 0 HB2 SER A 80 2.746 -0.536 -2.518 1.00 45.31 H new ATOM 0 HB3 SER A 80 4.051 0.396 -1.811 1.00 45.31 H new ATOM 0 HG SER A 80 4.491 -1.195 -0.442 1.00 10.13 H new ATOM 1338 N ASN A 81 1.080 -0.606 1.052 1.00 1.22 N ATOM 1339 CA ASN A 81 0.079 -1.471 1.666 1.00 13.51 C ATOM 1340 C ASN A 81 -1.262 -0.751 1.784 1.00 21.24 C ATOM 1341 O ASN A 81 -2.321 -1.371 1.692 1.00 14.11 O ATOM 1342 CB ASN A 81 0.548 -1.930 3.047 1.00 25.33 C ATOM 1343 CG ASN A 81 1.458 -3.140 2.976 1.00 53.23 C ATOM 1344 OD1 ASN A 81 1.956 -3.494 1.907 1.00 43.32 O ATOM 1345 ND2 ASN A 81 1.678 -3.783 4.117 1.00 33.32 N ATOM 0 H ASN A 81 1.771 -0.232 1.703 1.00 1.22 H new ATOM 0 HA ASN A 81 -0.052 -2.344 1.027 1.00 13.51 H new ATOM 0 HB2 ASN A 81 1.074 -1.112 3.540 1.00 25.33 H new ATOM 0 HB3 ASN A 81 -0.320 -2.167 3.662 1.00 25.33 H new ATOM 0 HD21 ASN A 81 2.281 -4.606 4.131 1.00 33.32 H new ATOM 0 HD22 ASN A 81 1.244 -3.454 4.980 1.00 33.32 H new ATOM 1352 N TYR A 82 -1.207 0.560 1.989 1.00 32.13 N ATOM 1353 CA TYR A 82 -2.415 1.365 2.123 1.00 14.03 C ATOM 1354 C TYR A 82 -2.798 1.999 0.789 1.00 73.12 C ATOM 1355 O TYR A 82 -3.747 2.779 0.708 1.00 23.22 O ATOM 1356 CB TYR A 82 -2.215 2.454 3.178 1.00 31.55 C ATOM 1357 CG TYR A 82 -1.906 1.911 4.556 1.00 33.12 C ATOM 1358 CD1 TYR A 82 -2.381 0.669 4.959 1.00 54.33 C ATOM 1359 CD2 TYR A 82 -1.139 2.640 5.456 1.00 11.42 C ATOM 1360 CE1 TYR A 82 -2.102 0.170 6.215 1.00 62.23 C ATOM 1361 CE2 TYR A 82 -0.855 2.150 6.715 1.00 24.33 C ATOM 1362 CZ TYR A 82 -1.338 0.915 7.090 1.00 74.43 C ATOM 1363 OH TYR A 82 -1.056 0.419 8.343 1.00 31.13 O ATOM 0 H TYR A 82 -0.338 1.088 2.066 1.00 32.13 H new ATOM 0 HA TYR A 82 -3.225 0.707 2.439 1.00 14.03 H new ATOM 0 HB2 TYR A 82 -1.402 3.108 2.863 1.00 31.55 H new ATOM 0 HB3 TYR A 82 -3.115 3.067 3.231 1.00 31.55 H new ATOM 0 HD1 TYR A 82 -2.979 0.083 4.277 1.00 54.33 H new ATOM 0 HD2 TYR A 82 -0.758 3.608 5.165 1.00 11.42 H new ATOM 0 HE1 TYR A 82 -2.479 -0.798 6.511 1.00 62.23 H new ATOM 0 HE2 TYR A 82 -0.258 2.731 7.402 1.00 24.33 H new ATOM 0 HH TYR A 82 -1.560 -0.408 8.488 1.00 31.13 H new ATOM 1373 N VAL A 83 -2.051 1.657 -0.257 1.00 34.13 N ATOM 1374 CA VAL A 83 -2.312 2.191 -1.589 1.00 61.40 C ATOM 1375 C VAL A 83 -2.408 1.072 -2.620 1.00 2.13 C ATOM 1376 O VAL A 83 -1.901 -0.029 -2.404 1.00 42.34 O ATOM 1377 CB VAL A 83 -1.213 3.180 -2.021 1.00 54.43 C ATOM 1378 CG1 VAL A 83 -0.114 2.457 -2.783 1.00 51.31 C ATOM 1379 CG2 VAL A 83 -1.808 4.301 -2.862 1.00 24.10 C ATOM 0 H VAL A 83 -1.261 1.013 -0.208 1.00 34.13 H new ATOM 0 HA VAL A 83 -3.265 2.717 -1.539 1.00 61.40 H new ATOM 0 HB VAL A 83 -0.772 3.621 -1.127 1.00 54.43 H new ATOM 0 HG11 VAL A 83 0.653 3.172 -3.080 1.00 51.31 H new ATOM 0 HG12 VAL A 83 0.329 1.693 -2.144 1.00 51.31 H new ATOM 0 HG13 VAL A 83 -0.536 1.987 -3.672 1.00 51.31 H new ATOM 0 HG21 VAL A 83 -1.018 4.991 -3.159 1.00 24.10 H new ATOM 0 HG22 VAL A 83 -2.275 3.879 -3.752 1.00 24.10 H new ATOM 0 HG23 VAL A 83 -2.557 4.836 -2.278 1.00 24.10 H new ATOM 1389 N GLU A 84 -3.061 1.362 -3.741 1.00 2.04 N ATOM 1390 CA GLU A 84 -3.224 0.379 -4.805 1.00 52.33 C ATOM 1391 C GLU A 84 -3.556 1.061 -6.130 1.00 32.20 C ATOM 1392 O GLU A 84 -4.604 1.691 -6.268 1.00 10.21 O ATOM 1393 CB GLU A 84 -4.324 -0.620 -4.443 1.00 52.54 C ATOM 1394 CG GLU A 84 -4.720 -1.532 -5.592 1.00 35.01 C ATOM 1395 CD GLU A 84 -5.698 -2.612 -5.171 1.00 20.54 C ATOM 1396 OE1 GLU A 84 -6.914 -2.326 -5.132 1.00 71.25 O ATOM 1397 OE2 GLU A 84 -5.249 -3.740 -4.878 1.00 3.23 O ATOM 0 H GLU A 84 -3.485 2.269 -3.935 1.00 2.04 H new ATOM 0 HA GLU A 84 -2.281 -0.156 -4.918 1.00 52.33 H new ATOM 0 HB2 GLU A 84 -3.987 -1.230 -3.605 1.00 52.54 H new ATOM 0 HB3 GLU A 84 -5.204 -0.072 -4.105 1.00 52.54 H new ATOM 0 HG2 GLU A 84 -5.165 -0.935 -6.388 1.00 35.01 H new ATOM 0 HG3 GLU A 84 -3.826 -1.998 -6.005 1.00 35.01 H new ATOM 1404 N ARG A 85 -2.656 0.930 -7.099 1.00 25.53 N ATOM 1405 CA ARG A 85 -2.852 1.535 -8.409 1.00 54.52 C ATOM 1406 C ARG A 85 -4.070 0.936 -9.108 1.00 24.41 C ATOM 1407 O ARG A 85 -4.537 -0.144 -8.747 1.00 52.35 O ATOM 1408 CB ARG A 85 -1.607 1.339 -9.276 1.00 73.04 C ATOM 1409 CG ARG A 85 -1.260 -0.120 -9.525 1.00 55.15 C ATOM 1410 CD ARG A 85 0.239 -0.321 -9.662 1.00 64.34 C ATOM 1411 NE ARG A 85 0.764 -1.238 -8.652 1.00 35.10 N ATOM 1412 CZ ARG A 85 0.695 -2.561 -8.755 1.00 60.41 C ATOM 1413 NH1 ARG A 85 0.128 -3.119 -9.816 1.00 3.24 N ATOM 1414 NH2 ARG A 85 1.194 -3.329 -7.795 1.00 4.33 N ATOM 0 H ARG A 85 -1.784 0.410 -7.001 1.00 25.53 H new ATOM 0 HA ARG A 85 -3.024 2.602 -8.267 1.00 54.52 H new ATOM 0 HB2 ARG A 85 -1.760 1.836 -10.234 1.00 73.04 H new ATOM 0 HB3 ARG A 85 -0.760 1.828 -8.796 1.00 73.04 H new ATOM 0 HG2 ARG A 85 -1.636 -0.730 -8.703 1.00 55.15 H new ATOM 0 HG3 ARG A 85 -1.758 -0.464 -10.431 1.00 55.15 H new ATOM 0 HD2 ARG A 85 0.463 -0.709 -10.656 1.00 64.34 H new ATOM 0 HD3 ARG A 85 0.743 0.641 -9.575 1.00 64.34 H new ATOM 0 HE ARG A 85 1.207 -0.841 -7.824 1.00 35.10 H new ATOM 0 HH11 ARG A 85 -0.257 -2.532 -10.556 1.00 3.24 H new ATOM 0 HH12 ARG A 85 0.077 -4.135 -9.892 1.00 3.24 H new ATOM 0 HH21 ARG A 85 1.631 -2.904 -6.977 1.00 4.33 H new ATOM 0 HH22 ARG A 85 1.141 -4.344 -7.875 1.00 4.33 H new ATOM 1428 N LYS A 86 -4.581 1.647 -10.109 1.00 64.33 N ATOM 1429 CA LYS A 86 -5.743 1.187 -10.857 1.00 55.21 C ATOM 1430 C LYS A 86 -6.937 0.968 -9.932 1.00 63.12 C ATOM 1431 O LYS A 86 -8.087 1.141 -10.335 1.00 40.42 O ATOM 1432 CB LYS A 86 -5.417 -0.110 -11.602 1.00 23.50 C ATOM 1433 CG LYS A 86 -4.163 -0.025 -12.452 1.00 42.24 C ATOM 1434 CD LYS A 86 -4.386 -0.612 -13.836 1.00 62.24 C ATOM 1435 CE LYS A 86 -4.413 -2.133 -13.796 1.00 14.22 C ATOM 1436 NZ LYS A 86 -4.743 -2.715 -15.127 1.00 72.32 N ATOM 0 H LYS A 86 -4.207 2.544 -10.420 1.00 64.33 H new ATOM 0 HA LYS A 86 -6.004 1.959 -11.581 1.00 55.21 H new ATOM 0 HB2 LYS A 86 -5.300 -0.916 -10.877 1.00 23.50 H new ATOM 0 HB3 LYS A 86 -6.261 -0.375 -12.240 1.00 23.50 H new ATOM 0 HG2 LYS A 86 -3.854 1.016 -12.543 1.00 42.24 H new ATOM 0 HG3 LYS A 86 -3.350 -0.557 -11.957 1.00 42.24 H new ATOM 0 HD2 LYS A 86 -5.326 -0.240 -14.243 1.00 62.24 H new ATOM 0 HD3 LYS A 86 -3.594 -0.278 -14.506 1.00 62.24 H new ATOM 0 HE2 LYS A 86 -3.443 -2.505 -13.467 1.00 14.22 H new ATOM 0 HE3 LYS A 86 -5.147 -2.464 -13.062 1.00 14.22 H new ATOM 0 HZ1 LYS A 86 -4.752 -3.753 -15.060 1.00 72.32 H new ATOM 0 HZ2 LYS A 86 -5.680 -2.380 -15.430 1.00 72.32 H new ATOM 0 HZ3 LYS A 86 -4.028 -2.419 -15.822 1.00 72.32 H new TER 1450 LYS A 86