USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 29 GLN : amide:sc= 1.05 K(o=2.3,f=-11!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -135:sc= 1.23 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= -0.0627 (180deg=-0.263) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 1.18 (180deg=0.131) USER MOD Single : A 31 GLN : amide:sc= -1.61 K(o=-1.6,f=-12!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.098) USER MOD Single : A 43 ASN : amide:sc= -1.03 K(o=-1,f=-0.0013) USER MOD Single : A 47 ASN : amide:sc= -1.03 K(o=-1,f=-0.0014) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0585 USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= 0.017 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -169:sc= 0.381 USER MOD Single : A 59 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -170:sc=-0.00267 (180deg=-0.148) USER MOD Single : A 74 THR OG1 : rot 66:sc= 0.571 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 19 0.708 -0.283 1.097 1.00 60.31 N ATOM 2 CA LYS A 19 1.566 -0.454 -0.102 1.00 55.50 C ATOM 3 C LYS A 19 1.068 0.405 -1.258 1.00 54.24 C ATOM 4 O LYS A 19 1.673 1.421 -1.592 1.00 53.42 O ATOM 5 CB LYS A 19 1.593 -1.920 -0.556 1.00 4.03 C ATOM 6 CG LYS A 19 2.301 -2.870 0.397 1.00 11.41 C ATOM 7 CD LYS A 19 2.249 -4.299 -0.127 1.00 11.43 C ATOM 8 CE LYS A 19 2.915 -5.287 0.820 1.00 25.20 C ATOM 9 NZ LYS A 19 2.331 -5.241 2.185 1.00 74.24 N ATOM 0 HA LYS A 19 2.572 -0.141 0.178 1.00 55.50 H new ATOM 0 HB2 LYS A 19 0.567 -2.262 -0.692 1.00 4.03 H new ATOM 0 HB3 LYS A 19 2.080 -1.975 -1.530 1.00 4.03 H new ATOM 0 HG2 LYS A 19 3.339 -2.561 0.522 1.00 11.41 H new ATOM 0 HG3 LYS A 19 1.834 -2.821 1.381 1.00 11.41 H new ATOM 0 HD2 LYS A 19 1.210 -4.590 -0.280 1.00 11.43 H new ATOM 0 HD3 LYS A 19 2.739 -4.345 -1.100 1.00 11.43 H new ATOM 0 HE2 LYS A 19 2.815 -6.295 0.418 1.00 25.20 H new ATOM 0 HE3 LYS A 19 3.982 -5.070 0.876 1.00 25.20 H new ATOM 0 HZ1 LYS A 19 2.667 -6.058 2.734 1.00 74.24 H new ATOM 0 HZ2 LYS A 19 2.623 -4.362 2.658 1.00 74.24 H new ATOM 0 HZ3 LYS A 19 1.293 -5.271 2.120 1.00 74.24 H new ATOM 25 N ASP A 20 -0.053 -0.001 -1.847 1.00 1.04 N ATOM 26 CA ASP A 20 -0.550 0.621 -3.068 1.00 73.34 C ATOM 27 C ASP A 20 -1.141 2.001 -2.812 1.00 23.33 C ATOM 28 O ASP A 20 -2.275 2.146 -2.355 1.00 44.34 O ATOM 29 CB ASP A 20 -1.567 -0.290 -3.777 1.00 1.14 C ATOM 30 CG ASP A 20 -2.679 -0.784 -2.869 1.00 63.14 C ATOM 31 OD1 ASP A 20 -2.394 -1.609 -1.975 1.00 71.23 O ATOM 32 OD2 ASP A 20 -3.844 -0.374 -3.060 1.00 44.02 O ATOM 0 H ASP A 20 -0.636 -0.761 -1.496 1.00 1.04 H new ATOM 0 HA ASP A 20 0.307 0.757 -3.727 1.00 73.34 H new ATOM 0 HB2 ASP A 20 -2.007 0.253 -4.613 1.00 1.14 H new ATOM 0 HB3 ASP A 20 -1.043 -1.149 -4.195 1.00 1.14 H new ATOM 37 N LYS A 21 -0.329 3.010 -3.075 1.00 72.12 N ATOM 38 CA LYS A 21 -0.774 4.396 -3.083 1.00 31.33 C ATOM 39 C LYS A 21 -0.678 4.922 -4.509 1.00 41.44 C ATOM 40 O LYS A 21 0.255 4.569 -5.233 1.00 55.43 O ATOM 41 CB LYS A 21 0.095 5.257 -2.159 1.00 33.33 C ATOM 42 CG LYS A 21 0.058 4.866 -0.685 1.00 41.40 C ATOM 43 CD LYS A 21 -1.183 5.389 0.032 1.00 71.43 C ATOM 44 CE LYS A 21 -2.405 4.525 -0.232 1.00 65.04 C ATOM 45 NZ LYS A 21 -3.559 4.925 0.619 1.00 2.02 N ATOM 0 H LYS A 21 0.661 2.893 -3.290 1.00 72.12 H new ATOM 0 HA LYS A 21 -1.802 4.446 -2.723 1.00 31.33 H new ATOM 0 HB2 LYS A 21 1.127 5.207 -2.506 1.00 33.33 H new ATOM 0 HB3 LYS A 21 -0.222 6.296 -2.251 1.00 33.33 H new ATOM 0 HG2 LYS A 21 0.091 3.780 -0.601 1.00 41.40 H new ATOM 0 HG3 LYS A 21 0.949 5.251 -0.189 1.00 41.40 H new ATOM 0 HD2 LYS A 21 -0.992 5.427 1.104 1.00 71.43 H new ATOM 0 HD3 LYS A 21 -1.385 6.410 -0.292 1.00 71.43 H new ATOM 0 HE2 LYS A 21 -2.684 4.602 -1.283 1.00 65.04 H new ATOM 0 HE3 LYS A 21 -2.159 3.480 -0.043 1.00 65.04 H new ATOM 0 HZ1 LYS A 21 -4.373 4.313 0.410 1.00 2.02 H new ATOM 0 HZ2 LYS A 21 -3.301 4.828 1.622 1.00 2.02 H new ATOM 0 HZ3 LYS A 21 -3.810 5.915 0.421 1.00 2.02 H new ATOM 59 N ASP A 22 -1.626 5.750 -4.919 1.00 22.21 N ATOM 60 CA ASP A 22 -1.657 6.234 -6.294 1.00 71.01 C ATOM 61 C ASP A 22 -0.657 7.370 -6.508 1.00 2.40 C ATOM 62 O ASP A 22 -0.857 8.500 -6.060 1.00 4.30 O ATOM 63 CB ASP A 22 -3.080 6.656 -6.701 1.00 31.04 C ATOM 64 CG ASP A 22 -3.702 7.706 -5.796 1.00 4.14 C ATOM 65 OD1 ASP A 22 -3.676 7.530 -4.559 1.00 51.44 O ATOM 66 OD2 ASP A 22 -4.249 8.703 -6.318 1.00 11.31 O ATOM 0 H ASP A 22 -2.379 6.100 -4.327 1.00 22.21 H new ATOM 0 HA ASP A 22 -1.358 5.410 -6.942 1.00 71.01 H new ATOM 0 HB2 ASP A 22 -3.055 7.040 -7.721 1.00 31.04 H new ATOM 0 HB3 ASP A 22 -3.720 5.774 -6.708 1.00 31.04 H new ATOM 71 N LEU A 23 0.435 7.040 -7.191 1.00 72.15 N ATOM 72 CA LEU A 23 1.493 7.999 -7.487 1.00 53.15 C ATOM 73 C LEU A 23 1.067 8.931 -8.615 1.00 72.40 C ATOM 74 O LEU A 23 1.314 10.138 -8.579 1.00 72.03 O ATOM 75 CB LEU A 23 2.766 7.250 -7.898 1.00 75.01 C ATOM 76 CG LEU A 23 3.997 8.121 -8.132 1.00 4.23 C ATOM 77 CD1 LEU A 23 4.369 8.882 -6.869 1.00 72.44 C ATOM 78 CD2 LEU A 23 5.156 7.262 -8.604 1.00 25.20 C ATOM 0 H LEU A 23 0.611 6.103 -7.554 1.00 72.15 H new ATOM 0 HA LEU A 23 1.687 8.592 -6.593 1.00 53.15 H new ATOM 0 HB2 LEU A 23 3.002 6.519 -7.124 1.00 75.01 H new ATOM 0 HB3 LEU A 23 2.559 6.692 -8.811 1.00 75.01 H new ATOM 0 HG LEU A 23 3.765 8.853 -8.906 1.00 4.23 H new ATOM 0 HD11 LEU A 23 5.249 9.496 -7.060 1.00 72.44 H new ATOM 0 HD12 LEU A 23 3.538 9.522 -6.572 1.00 72.44 H new ATOM 0 HD13 LEU A 23 4.587 8.175 -6.069 1.00 72.44 H new ATOM 0 HD21 LEU A 23 6.031 7.891 -8.769 1.00 25.20 H new ATOM 0 HD22 LEU A 23 5.385 6.512 -7.847 1.00 25.20 H new ATOM 0 HD23 LEU A 23 4.885 6.765 -9.536 1.00 25.20 H new ATOM 90 N LEU A 24 0.422 8.350 -9.610 1.00 11.24 N ATOM 91 CA LEU A 24 -0.016 9.075 -10.788 1.00 41.22 C ATOM 92 C LEU A 24 -1.495 8.829 -10.993 1.00 73.54 C ATOM 93 O LEU A 24 -2.017 7.821 -10.530 1.00 23.32 O ATOM 94 CB LEU A 24 0.774 8.602 -12.006 1.00 73.44 C ATOM 95 CG LEU A 24 2.287 8.796 -11.909 1.00 33.34 C ATOM 96 CD1 LEU A 24 2.993 7.957 -12.956 1.00 71.33 C ATOM 97 CD2 LEU A 24 2.647 10.263 -12.077 1.00 22.31 C ATOM 0 H LEU A 24 0.186 7.358 -9.624 1.00 11.24 H new ATOM 0 HA LEU A 24 0.158 10.143 -10.655 1.00 41.22 H new ATOM 0 HB2 LEU A 24 0.568 7.544 -12.165 1.00 73.44 H new ATOM 0 HB3 LEU A 24 0.410 9.134 -12.885 1.00 73.44 H new ATOM 0 HG LEU A 24 2.615 8.471 -10.922 1.00 33.34 H new ATOM 0 HD11 LEU A 24 4.070 8.105 -12.875 1.00 71.33 H new ATOM 0 HD12 LEU A 24 2.759 6.904 -12.797 1.00 71.33 H new ATOM 0 HD13 LEU A 24 2.659 8.258 -13.949 1.00 71.33 H new ATOM 0 HD21 LEU A 24 3.728 10.383 -12.005 1.00 22.31 H new ATOM 0 HD22 LEU A 24 2.307 10.612 -13.052 1.00 22.31 H new ATOM 0 HD23 LEU A 24 2.164 10.848 -11.294 1.00 22.31 H new ATOM 109 N LYS A 25 -2.177 9.747 -11.661 1.00 23.23 N ATOM 110 CA LYS A 25 -3.614 9.623 -11.839 1.00 2.23 C ATOM 111 C LYS A 25 -4.010 9.936 -13.276 1.00 23.54 C ATOM 112 O LYS A 25 -3.816 11.054 -13.754 1.00 53.41 O ATOM 113 CB LYS A 25 -4.372 10.558 -10.881 1.00 2.44 C ATOM 114 CG LYS A 25 -4.003 10.397 -9.408 1.00 34.33 C ATOM 115 CD LYS A 25 -2.789 11.242 -9.037 1.00 3.34 C ATOM 116 CE LYS A 25 -2.335 10.994 -7.606 1.00 64.51 C ATOM 117 NZ LYS A 25 -3.435 11.190 -6.626 1.00 42.42 N ATOM 0 H LYS A 25 -1.763 10.578 -12.085 1.00 23.23 H new ATOM 0 HA LYS A 25 -3.885 8.592 -11.612 1.00 2.23 H new ATOM 0 HB2 LYS A 25 -4.184 11.590 -11.178 1.00 2.44 H new ATOM 0 HB3 LYS A 25 -5.442 10.383 -10.995 1.00 2.44 H new ATOM 0 HG2 LYS A 25 -4.851 10.685 -8.787 1.00 34.33 H new ATOM 0 HG3 LYS A 25 -3.795 9.348 -9.197 1.00 34.33 H new ATOM 0 HD2 LYS A 25 -1.970 11.019 -9.721 1.00 3.34 H new ATOM 0 HD3 LYS A 25 -3.030 12.297 -9.163 1.00 3.34 H new ATOM 0 HE2 LYS A 25 -1.951 9.978 -7.520 1.00 64.51 H new ATOM 0 HE3 LYS A 25 -1.512 11.668 -7.366 1.00 64.51 H new ATOM 0 HZ1 LYS A 25 -3.033 11.381 -5.686 1.00 42.42 H new ATOM 0 HZ2 LYS A 25 -4.023 11.995 -6.921 1.00 42.42 H new ATOM 0 HZ3 LYS A 25 -4.020 10.331 -6.584 1.00 42.42 H new ATOM 131 N GLY A 26 -4.555 8.943 -13.963 1.00 71.32 N ATOM 132 CA GLY A 26 -5.061 9.159 -15.302 1.00 14.23 C ATOM 133 C GLY A 26 -4.025 8.918 -16.380 1.00 43.01 C ATOM 134 O GLY A 26 -3.971 9.650 -17.370 1.00 4.25 O ATOM 0 H GLY A 26 -4.656 7.989 -13.616 1.00 71.32 H new ATOM 0 HA2 GLY A 26 -5.912 8.500 -15.472 1.00 14.23 H new ATOM 0 HA3 GLY A 26 -5.429 10.182 -15.383 1.00 14.23 H new ATOM 138 N LEU A 27 -3.210 7.891 -16.205 1.00 72.45 N ATOM 139 CA LEU A 27 -2.191 7.567 -17.195 1.00 13.24 C ATOM 140 C LEU A 27 -2.458 6.211 -17.830 1.00 51.41 C ATOM 141 O LEU A 27 -3.167 5.373 -17.265 1.00 72.21 O ATOM 142 CB LEU A 27 -0.784 7.586 -16.587 1.00 52.34 C ATOM 143 CG LEU A 27 -0.162 8.973 -16.387 1.00 63.11 C ATOM 144 CD1 LEU A 27 -0.813 9.711 -15.229 1.00 73.53 C ATOM 145 CD2 LEU A 27 1.338 8.852 -16.172 1.00 71.03 C ATOM 0 H LEU A 27 -3.231 7.271 -15.395 1.00 72.45 H new ATOM 0 HA LEU A 27 -2.241 8.336 -17.966 1.00 13.24 H new ATOM 0 HB2 LEU A 27 -0.819 7.082 -15.621 1.00 52.34 H new ATOM 0 HB3 LEU A 27 -0.124 7.002 -17.228 1.00 52.34 H new ATOM 0 HG LEU A 27 -0.340 9.556 -17.291 1.00 63.11 H new ATOM 0 HD11 LEU A 27 -0.349 10.690 -15.115 1.00 73.53 H new ATOM 0 HD12 LEU A 27 -1.877 9.835 -15.429 1.00 73.53 H new ATOM 0 HD13 LEU A 27 -0.681 9.137 -14.312 1.00 73.53 H new ATOM 0 HD21 LEU A 27 1.767 9.844 -16.031 1.00 71.03 H new ATOM 0 HD22 LEU A 27 1.531 8.245 -15.288 1.00 71.03 H new ATOM 0 HD23 LEU A 27 1.793 8.380 -17.043 1.00 71.03 H new ATOM 157 N ASP A 28 -1.912 6.021 -19.021 1.00 10.53 N ATOM 158 CA ASP A 28 -2.013 4.755 -19.731 1.00 64.41 C ATOM 159 C ASP A 28 -0.710 3.981 -19.590 1.00 30.25 C ATOM 160 O ASP A 28 0.228 4.440 -18.933 1.00 33.04 O ATOM 161 CB ASP A 28 -2.312 4.987 -21.219 1.00 42.03 C ATOM 162 CG ASP A 28 -3.644 5.669 -21.461 1.00 32.51 C ATOM 163 OD1 ASP A 28 -3.742 6.898 -21.245 1.00 61.44 O ATOM 164 OD2 ASP A 28 -4.596 4.984 -21.890 1.00 3.22 O ATOM 0 H ASP A 28 -1.387 6.738 -19.522 1.00 10.53 H new ATOM 0 HA ASP A 28 -2.831 4.181 -19.296 1.00 64.41 H new ATOM 0 HB2 ASP A 28 -1.517 5.593 -21.653 1.00 42.03 H new ATOM 0 HB3 ASP A 28 -2.302 4.029 -21.739 1.00 42.03 H new ATOM 169 N GLN A 29 -0.654 2.810 -20.209 1.00 61.10 N ATOM 170 CA GLN A 29 0.560 2.000 -20.227 1.00 21.22 C ATOM 171 C GLN A 29 1.698 2.751 -20.923 1.00 65.52 C ATOM 172 O GLN A 29 2.864 2.610 -20.556 1.00 45.22 O ATOM 173 CB GLN A 29 0.294 0.675 -20.950 1.00 4.00 C ATOM 174 CG GLN A 29 1.474 -0.285 -20.941 1.00 51.44 C ATOM 175 CD GLN A 29 1.796 -0.806 -19.555 1.00 25.12 C ATOM 176 OE1 GLN A 29 2.592 -0.217 -18.820 1.00 25.30 O ATOM 177 NE2 GLN A 29 1.172 -1.910 -19.182 1.00 3.34 N ATOM 0 H GLN A 29 -1.440 2.396 -20.709 1.00 61.10 H new ATOM 0 HA GLN A 29 0.855 1.796 -19.198 1.00 21.22 H new ATOM 0 HB2 GLN A 29 -0.562 0.186 -20.486 1.00 4.00 H new ATOM 0 HB3 GLN A 29 0.019 0.886 -21.983 1.00 4.00 H new ATOM 0 HG2 GLN A 29 1.257 -1.126 -21.599 1.00 51.44 H new ATOM 0 HG3 GLN A 29 2.350 0.220 -21.347 1.00 51.44 H new ATOM 0 HE21 GLN A 29 0.520 -2.368 -19.819 1.00 3.34 H new ATOM 0 HE22 GLN A 29 1.342 -2.304 -18.257 1.00 3.34 H new ATOM 186 N GLU A 30 1.336 3.564 -21.912 1.00 1.51 N ATOM 187 CA GLU A 30 2.306 4.279 -22.734 1.00 61.00 C ATOM 188 C GLU A 30 3.147 5.240 -21.896 1.00 10.23 C ATOM 189 O GLU A 30 4.373 5.139 -21.860 1.00 40.23 O ATOM 190 CB GLU A 30 1.583 5.055 -23.837 1.00 20.52 C ATOM 191 CG GLU A 30 2.500 5.512 -24.956 1.00 45.32 C ATOM 192 CD GLU A 30 3.075 4.343 -25.729 1.00 42.04 C ATOM 193 OE1 GLU A 30 2.307 3.662 -26.439 1.00 50.13 O ATOM 194 OE2 GLU A 30 4.293 4.099 -25.634 1.00 30.22 O ATOM 0 H GLU A 30 0.365 3.745 -22.165 1.00 1.51 H new ATOM 0 HA GLU A 30 2.975 3.543 -23.180 1.00 61.00 H new ATOM 0 HB2 GLU A 30 0.796 4.427 -24.256 1.00 20.52 H new ATOM 0 HB3 GLU A 30 1.096 5.926 -23.398 1.00 20.52 H new ATOM 0 HG2 GLU A 30 1.947 6.160 -25.636 1.00 45.32 H new ATOM 0 HG3 GLU A 30 3.313 6.106 -24.539 1.00 45.32 H new ATOM 201 N GLN A 31 2.480 6.158 -21.206 1.00 23.15 N ATOM 202 CA GLN A 31 3.171 7.184 -20.430 1.00 55.11 C ATOM 203 C GLN A 31 3.917 6.565 -19.252 1.00 24.00 C ATOM 204 O GLN A 31 4.878 7.138 -18.740 1.00 21.34 O ATOM 205 CB GLN A 31 2.193 8.247 -19.916 1.00 42.20 C ATOM 206 CG GLN A 31 1.448 9.003 -21.009 1.00 32.20 C ATOM 207 CD GLN A 31 0.360 8.174 -21.663 1.00 31.02 C ATOM 208 OE1 GLN A 31 -0.235 7.304 -21.031 1.00 40.31 O ATOM 209 NE2 GLN A 31 0.108 8.422 -22.936 1.00 23.33 N ATOM 0 H GLN A 31 1.462 6.214 -21.167 1.00 23.15 H new ATOM 0 HA GLN A 31 3.889 7.663 -21.095 1.00 55.11 H new ATOM 0 HB2 GLN A 31 1.464 7.766 -19.263 1.00 42.20 H new ATOM 0 HB3 GLN A 31 2.743 8.964 -19.306 1.00 42.20 H new ATOM 0 HG2 GLN A 31 1.005 9.904 -20.584 1.00 32.20 H new ATOM 0 HG3 GLN A 31 2.159 9.326 -21.770 1.00 32.20 H new ATOM 0 HE21 GLN A 31 0.624 9.153 -23.425 1.00 23.33 H new ATOM 0 HE22 GLN A 31 -0.603 7.882 -23.430 1.00 23.33 H new ATOM 218 N ALA A 32 3.473 5.383 -18.839 1.00 25.15 N ATOM 219 CA ALA A 32 4.079 4.682 -17.718 1.00 43.14 C ATOM 220 C ALA A 32 5.498 4.228 -18.047 1.00 22.32 C ATOM 221 O ALA A 32 6.290 3.959 -17.145 1.00 60.10 O ATOM 222 CB ALA A 32 3.222 3.493 -17.317 1.00 43.55 C ATOM 0 H ALA A 32 2.690 4.889 -19.268 1.00 25.15 H new ATOM 0 HA ALA A 32 4.138 5.376 -16.880 1.00 43.14 H new ATOM 0 HB1 ALA A 32 3.686 2.977 -16.477 1.00 43.55 H new ATOM 0 HB2 ALA A 32 2.231 3.841 -17.026 1.00 43.55 H new ATOM 0 HB3 ALA A 32 3.133 2.808 -18.160 1.00 43.55 H new ATOM 228 N ASN A 33 5.815 4.144 -19.338 1.00 12.13 N ATOM 229 CA ASN A 33 7.150 3.740 -19.774 1.00 34.32 C ATOM 230 C ASN A 33 8.180 4.779 -19.349 1.00 1.13 C ATOM 231 O ASN A 33 9.251 4.439 -18.845 1.00 44.11 O ATOM 232 CB ASN A 33 7.204 3.558 -21.294 1.00 23.24 C ATOM 233 CG ASN A 33 8.495 2.901 -21.753 1.00 52.23 C ATOM 234 OD1 ASN A 33 9.517 3.564 -21.939 1.00 12.44 O ATOM 235 ND2 ASN A 33 8.448 1.596 -21.961 1.00 42.15 N ATOM 0 H ASN A 33 5.167 4.350 -20.098 1.00 12.13 H new ATOM 0 HA ASN A 33 7.380 2.785 -19.302 1.00 34.32 H new ATOM 0 HB2 ASN A 33 6.357 2.952 -21.615 1.00 23.24 H new ATOM 0 HB3 ASN A 33 7.102 4.530 -21.777 1.00 23.24 H new ATOM 0 HD21 ASN A 33 9.278 1.101 -22.288 1.00 42.15 H new ATOM 0 HD22 ASN A 33 7.582 1.084 -21.795 1.00 42.15 H new ATOM 242 N GLU A 34 7.842 6.048 -19.550 1.00 65.51 N ATOM 243 CA GLU A 34 8.701 7.152 -19.136 1.00 61.02 C ATOM 244 C GLU A 34 8.849 7.175 -17.623 1.00 64.42 C ATOM 245 O GLU A 34 9.928 7.436 -17.089 1.00 43.25 O ATOM 246 CB GLU A 34 8.116 8.484 -19.604 1.00 54.52 C ATOM 247 CG GLU A 34 8.349 8.773 -21.074 1.00 42.23 C ATOM 248 CD GLU A 34 9.816 8.957 -21.394 1.00 11.13 C ATOM 249 OE1 GLU A 34 10.412 9.952 -20.923 1.00 2.13 O ATOM 250 OE2 GLU A 34 10.381 8.114 -22.122 1.00 75.12 O ATOM 0 H GLU A 34 6.974 6.339 -20.000 1.00 65.51 H new ATOM 0 HA GLU A 34 9.681 7.006 -19.590 1.00 61.02 H new ATOM 0 HB2 GLU A 34 7.044 8.488 -19.408 1.00 54.52 H new ATOM 0 HB3 GLU A 34 8.551 9.289 -19.012 1.00 54.52 H new ATOM 0 HG2 GLU A 34 7.948 7.954 -21.672 1.00 42.23 H new ATOM 0 HG3 GLU A 34 7.801 9.672 -21.357 1.00 42.23 H new ATOM 257 N VAL A 35 7.751 6.894 -16.944 1.00 64.05 N ATOM 258 CA VAL A 35 7.716 6.932 -15.495 1.00 1.24 C ATOM 259 C VAL A 35 8.543 5.808 -14.882 1.00 44.01 C ATOM 260 O VAL A 35 9.433 6.062 -14.074 1.00 51.20 O ATOM 261 CB VAL A 35 6.269 6.858 -14.978 1.00 63.21 C ATOM 262 CG1 VAL A 35 6.240 6.777 -13.460 1.00 15.53 C ATOM 263 CG2 VAL A 35 5.480 8.063 -15.467 1.00 52.32 C ATOM 0 H VAL A 35 6.865 6.635 -17.379 1.00 64.05 H new ATOM 0 HA VAL A 35 8.154 7.882 -15.189 1.00 1.24 H new ATOM 0 HB VAL A 35 5.806 5.953 -15.370 1.00 63.21 H new ATOM 0 HG11 VAL A 35 5.206 6.726 -13.118 1.00 15.53 H new ATOM 0 HG12 VAL A 35 6.775 5.886 -13.133 1.00 15.53 H new ATOM 0 HG13 VAL A 35 6.718 7.662 -13.039 1.00 15.53 H new ATOM 0 HG21 VAL A 35 4.457 8.003 -15.096 1.00 52.32 H new ATOM 0 HG22 VAL A 35 5.946 8.977 -15.099 1.00 52.32 H new ATOM 0 HG23 VAL A 35 5.471 8.074 -16.557 1.00 52.32 H new ATOM 273 N ILE A 36 8.272 4.569 -15.285 1.00 63.23 N ATOM 274 CA ILE A 36 8.943 3.413 -14.693 1.00 20.44 C ATOM 275 C ILE A 36 10.460 3.492 -14.890 1.00 21.11 C ATOM 276 O ILE A 36 11.227 2.923 -14.112 1.00 23.03 O ATOM 277 CB ILE A 36 8.402 2.078 -15.267 1.00 72.33 C ATOM 278 CG1 ILE A 36 8.937 0.889 -14.459 1.00 71.15 C ATOM 279 CG2 ILE A 36 8.768 1.930 -16.739 1.00 41.24 C ATOM 280 CD1 ILE A 36 8.389 -0.449 -14.907 1.00 74.44 C ATOM 0 H ILE A 36 7.597 4.340 -16.014 1.00 63.23 H new ATOM 0 HA ILE A 36 8.727 3.435 -13.625 1.00 20.44 H new ATOM 0 HB ILE A 36 7.315 2.091 -15.187 1.00 72.33 H new ATOM 0 HG12 ILE A 36 10.024 0.870 -14.535 1.00 71.15 H new ATOM 0 HG13 ILE A 36 8.693 1.037 -13.407 1.00 71.15 H new ATOM 0 HG21 ILE A 36 8.377 0.986 -17.118 1.00 41.24 H new ATOM 0 HG22 ILE A 36 8.337 2.755 -17.306 1.00 41.24 H new ATOM 0 HG23 ILE A 36 9.853 1.943 -16.847 1.00 41.24 H new ATOM 0 HD11 ILE A 36 8.813 -1.241 -14.289 1.00 74.44 H new ATOM 0 HD12 ILE A 36 7.304 -0.450 -14.805 1.00 74.44 H new ATOM 0 HD13 ILE A 36 8.655 -0.621 -15.950 1.00 74.44 H new ATOM 292 N ALA A 37 10.883 4.232 -15.911 1.00 51.21 N ATOM 293 CA ALA A 37 12.297 4.412 -16.200 1.00 74.30 C ATOM 294 C ALA A 37 13.015 5.100 -15.043 1.00 73.12 C ATOM 295 O ALA A 37 14.122 4.709 -14.676 1.00 51.12 O ATOM 296 CB ALA A 37 12.478 5.210 -17.483 1.00 24.41 C ATOM 0 H ALA A 37 10.259 4.719 -16.555 1.00 51.21 H new ATOM 0 HA ALA A 37 12.740 3.425 -16.332 1.00 74.30 H new ATOM 0 HB1 ALA A 37 13.541 5.336 -17.686 1.00 24.41 H new ATOM 0 HB2 ALA A 37 12.011 4.677 -18.312 1.00 24.41 H new ATOM 0 HB3 ALA A 37 12.011 6.189 -17.372 1.00 24.41 H new ATOM 302 N VAL A 38 12.379 6.108 -14.449 1.00 0.51 N ATOM 303 CA VAL A 38 13.015 6.858 -13.373 1.00 23.44 C ATOM 304 C VAL A 38 13.075 6.017 -12.096 1.00 65.22 C ATOM 305 O VAL A 38 14.003 6.153 -11.299 1.00 33.33 O ATOM 306 CB VAL A 38 12.316 8.217 -13.104 1.00 13.23 C ATOM 307 CG1 VAL A 38 10.984 8.042 -12.398 1.00 14.25 C ATOM 308 CG2 VAL A 38 13.230 9.138 -12.311 1.00 72.13 C ATOM 0 H VAL A 38 11.438 6.419 -14.691 1.00 0.51 H new ATOM 0 HA VAL A 38 14.031 7.084 -13.696 1.00 23.44 H new ATOM 0 HB VAL A 38 12.109 8.675 -14.071 1.00 13.23 H new ATOM 0 HG11 VAL A 38 10.530 9.019 -12.230 1.00 14.25 H new ATOM 0 HG12 VAL A 38 10.322 7.436 -13.016 1.00 14.25 H new ATOM 0 HG13 VAL A 38 11.142 7.546 -11.440 1.00 14.25 H new ATOM 0 HG21 VAL A 38 12.724 10.086 -12.131 1.00 72.13 H new ATOM 0 HG22 VAL A 38 13.477 8.672 -11.357 1.00 72.13 H new ATOM 0 HG23 VAL A 38 14.145 9.316 -12.875 1.00 72.13 H new ATOM 318 N LEU A 39 12.104 5.121 -11.924 1.00 60.13 N ATOM 319 CA LEU A 39 12.125 4.196 -10.797 1.00 43.21 C ATOM 320 C LEU A 39 13.222 3.157 -11.004 1.00 73.35 C ATOM 321 O LEU A 39 14.009 2.878 -10.097 1.00 11.04 O ATOM 322 CB LEU A 39 10.769 3.488 -10.610 1.00 21.42 C ATOM 323 CG LEU A 39 9.608 4.352 -10.084 1.00 24.51 C ATOM 324 CD1 LEU A 39 10.054 5.222 -8.919 1.00 24.34 C ATOM 325 CD2 LEU A 39 9.010 5.203 -11.188 1.00 10.22 C ATOM 0 H LEU A 39 11.301 5.018 -12.545 1.00 60.13 H new ATOM 0 HA LEU A 39 12.325 4.776 -9.896 1.00 43.21 H new ATOM 0 HB2 LEU A 39 10.471 3.064 -11.569 1.00 21.42 H new ATOM 0 HB3 LEU A 39 10.912 2.654 -9.923 1.00 21.42 H new ATOM 0 HG LEU A 39 8.834 3.674 -9.724 1.00 24.51 H new ATOM 0 HD11 LEU A 39 9.213 5.821 -8.569 1.00 24.34 H new ATOM 0 HD12 LEU A 39 10.411 4.588 -8.107 1.00 24.34 H new ATOM 0 HD13 LEU A 39 10.858 5.882 -9.245 1.00 24.34 H new ATOM 0 HD21 LEU A 39 8.193 5.801 -10.784 1.00 10.22 H new ATOM 0 HD22 LEU A 39 9.776 5.863 -11.594 1.00 10.22 H new ATOM 0 HD23 LEU A 39 8.630 4.557 -11.980 1.00 10.22 H new ATOM 337 N GLN A 40 13.278 2.606 -12.212 1.00 54.20 N ATOM 338 CA GLN A 40 14.277 1.605 -12.563 1.00 2.42 C ATOM 339 C GLN A 40 15.692 2.153 -12.392 1.00 22.11 C ATOM 340 O GLN A 40 16.556 1.490 -11.817 1.00 53.11 O ATOM 341 CB GLN A 40 14.067 1.138 -14.006 1.00 20.02 C ATOM 342 CG GLN A 40 15.138 0.179 -14.497 1.00 22.03 C ATOM 343 CD GLN A 40 14.912 -0.281 -15.923 1.00 12.11 C ATOM 344 OE1 GLN A 40 13.776 -0.414 -16.380 1.00 12.23 O ATOM 345 NE2 GLN A 40 15.999 -0.503 -16.643 1.00 1.30 N ATOM 0 H GLN A 40 12.637 2.839 -12.970 1.00 54.20 H new ATOM 0 HA GLN A 40 14.158 0.757 -11.888 1.00 2.42 H new ATOM 0 HB2 GLN A 40 13.094 0.653 -14.084 1.00 20.02 H new ATOM 0 HB3 GLN A 40 14.043 2.009 -14.661 1.00 20.02 H new ATOM 0 HG2 GLN A 40 16.112 0.664 -14.427 1.00 22.03 H new ATOM 0 HG3 GLN A 40 15.168 -0.691 -13.841 1.00 22.03 H new ATOM 0 HE21 GLN A 40 16.921 -0.381 -16.225 1.00 1.30 H new ATOM 0 HE22 GLN A 40 15.915 -0.796 -17.616 1.00 1.30 H new ATOM 354 N MET A 41 15.915 3.371 -12.877 1.00 10.10 N ATOM 355 CA MET A 41 17.235 3.993 -12.821 1.00 42.34 C ATOM 356 C MET A 41 17.742 4.126 -11.391 1.00 62.11 C ATOM 357 O MET A 41 18.934 3.955 -11.130 1.00 51.44 O ATOM 358 CB MET A 41 17.212 5.369 -13.489 1.00 3.12 C ATOM 359 CG MET A 41 17.196 5.308 -15.008 1.00 61.34 C ATOM 360 SD MET A 41 18.675 4.521 -15.681 1.00 14.32 S ATOM 361 CE MET A 41 18.297 4.537 -17.430 1.00 42.44 C ATOM 0 H MET A 41 15.197 3.948 -13.314 1.00 10.10 H new ATOM 0 HA MET A 41 17.919 3.339 -13.362 1.00 42.34 H new ATOM 0 HB2 MET A 41 16.333 5.915 -13.146 1.00 3.12 H new ATOM 0 HB3 MET A 41 18.085 5.935 -13.166 1.00 3.12 H new ATOM 0 HG2 MET A 41 16.314 4.759 -15.338 1.00 61.34 H new ATOM 0 HG3 MET A 41 17.111 6.318 -15.409 1.00 61.34 H new ATOM 0 HE1 MET A 41 19.118 4.083 -17.984 1.00 42.44 H new ATOM 0 HE2 MET A 41 17.382 3.973 -17.610 1.00 42.44 H new ATOM 0 HE3 MET A 41 18.160 5.566 -17.763 1.00 42.44 H new ATOM 371 N HIS A 42 16.845 4.421 -10.460 1.00 23.13 N ATOM 372 CA HIS A 42 17.251 4.612 -9.074 1.00 62.02 C ATOM 373 C HIS A 42 17.155 3.312 -8.288 1.00 15.24 C ATOM 374 O HIS A 42 17.387 3.293 -7.081 1.00 62.01 O ATOM 375 CB HIS A 42 16.424 5.707 -8.405 1.00 42.31 C ATOM 376 CG HIS A 42 17.272 6.821 -7.871 1.00 1.33 C ATOM 377 ND1 HIS A 42 17.842 6.801 -6.616 1.00 51.51 N ATOM 378 CD2 HIS A 42 17.664 7.988 -8.438 1.00 4.33 C ATOM 379 CE1 HIS A 42 18.544 7.905 -6.436 1.00 31.11 C ATOM 380 NE2 HIS A 42 18.454 8.641 -7.525 1.00 24.15 N ATOM 0 H HIS A 42 15.846 4.532 -10.635 1.00 23.13 H new ATOM 0 HA HIS A 42 18.294 4.928 -9.078 1.00 62.02 H new ATOM 0 HB2 HIS A 42 15.711 6.110 -9.124 1.00 42.31 H new ATOM 0 HB3 HIS A 42 15.844 5.273 -7.590 1.00 42.31 H new ATOM 0 HD2 HIS A 42 17.403 8.339 -9.425 1.00 4.33 H new ATOM 0 HE1 HIS A 42 19.099 8.161 -5.546 1.00 31.11 H new ATOM 0 HE2 HIS A 42 18.899 9.548 -7.667 1.00 24.15 H new ATOM 389 N ASN A 43 16.804 2.236 -8.990 1.00 12.12 N ATOM 390 CA ASN A 43 16.810 0.882 -8.429 1.00 64.24 C ATOM 391 C ASN A 43 15.803 0.721 -7.291 1.00 33.13 C ATOM 392 O ASN A 43 15.938 -0.170 -6.451 1.00 31.43 O ATOM 393 CB ASN A 43 18.219 0.517 -7.943 1.00 52.11 C ATOM 394 CG ASN A 43 19.244 0.504 -9.065 1.00 65.35 C ATOM 395 OD1 ASN A 43 20.418 0.808 -8.849 1.00 54.45 O ATOM 396 ND2 ASN A 43 18.814 0.153 -10.268 1.00 21.43 N ATOM 0 H ASN A 43 16.507 2.276 -9.965 1.00 12.12 H new ATOM 0 HA ASN A 43 16.511 0.201 -9.225 1.00 64.24 H new ATOM 0 HB2 ASN A 43 18.531 1.230 -7.180 1.00 52.11 H new ATOM 0 HB3 ASN A 43 18.192 -0.465 -7.470 1.00 52.11 H new ATOM 0 HD21 ASN A 43 19.463 0.128 -11.054 1.00 21.43 H new ATOM 0 HD22 ASN A 43 17.834 -0.092 -10.408 1.00 21.43 H new ATOM 403 N ILE A 44 14.777 1.557 -7.288 1.00 1.24 N ATOM 404 CA ILE A 44 13.738 1.488 -6.272 1.00 61.34 C ATOM 405 C ILE A 44 12.663 0.490 -6.699 1.00 23.14 C ATOM 406 O ILE A 44 12.414 0.316 -7.894 1.00 54.23 O ATOM 407 CB ILE A 44 13.114 2.885 -6.015 1.00 60.52 C ATOM 408 CG1 ILE A 44 11.982 2.807 -4.984 1.00 63.12 C ATOM 409 CG2 ILE A 44 12.614 3.498 -7.314 1.00 13.51 C ATOM 410 CD1 ILE A 44 11.334 4.145 -4.688 1.00 62.43 C ATOM 0 H ILE A 44 14.641 2.294 -7.980 1.00 1.24 H new ATOM 0 HA ILE A 44 14.188 1.149 -5.339 1.00 61.34 H new ATOM 0 HB ILE A 44 13.894 3.528 -5.608 1.00 60.52 H new ATOM 0 HG12 ILE A 44 11.220 2.116 -5.346 1.00 63.12 H new ATOM 0 HG13 ILE A 44 12.375 2.391 -4.057 1.00 63.12 H new ATOM 0 HG21 ILE A 44 12.180 4.477 -7.111 1.00 13.51 H new ATOM 0 HG22 ILE A 44 13.447 3.607 -8.009 1.00 13.51 H new ATOM 0 HG23 ILE A 44 11.856 2.850 -7.754 1.00 13.51 H new ATOM 0 HD11 ILE A 44 10.543 4.011 -3.950 1.00 62.43 H new ATOM 0 HD12 ILE A 44 12.083 4.833 -4.296 1.00 62.43 H new ATOM 0 HD13 ILE A 44 10.910 4.555 -5.605 1.00 62.43 H new ATOM 422 N GLU A 45 12.061 -0.188 -5.727 1.00 21.42 N ATOM 423 CA GLU A 45 11.028 -1.175 -6.010 1.00 24.23 C ATOM 424 C GLU A 45 9.809 -0.511 -6.642 1.00 11.34 C ATOM 425 O GLU A 45 9.236 0.415 -6.070 1.00 51.35 O ATOM 426 CB GLU A 45 10.618 -1.899 -4.725 1.00 12.40 C ATOM 427 CG GLU A 45 9.580 -2.990 -4.943 1.00 55.10 C ATOM 428 CD GLU A 45 10.103 -4.134 -5.787 1.00 64.44 C ATOM 429 OE1 GLU A 45 10.347 -3.932 -6.994 1.00 20.44 O ATOM 430 OE2 GLU A 45 10.282 -5.243 -5.242 1.00 54.13 O ATOM 0 H GLU A 45 12.272 -0.071 -4.736 1.00 21.42 H new ATOM 0 HA GLU A 45 11.434 -1.902 -6.713 1.00 24.23 H new ATOM 0 HB2 GLU A 45 11.504 -2.339 -4.268 1.00 12.40 H new ATOM 0 HB3 GLU A 45 10.223 -1.170 -4.018 1.00 12.40 H new ATOM 0 HG2 GLU A 45 9.256 -3.376 -3.976 1.00 55.10 H new ATOM 0 HG3 GLU A 45 8.702 -2.560 -5.425 1.00 55.10 H new ATOM 437 N ALA A 46 9.417 -0.992 -7.812 1.00 50.41 N ATOM 438 CA ALA A 46 8.291 -0.421 -8.531 1.00 63.13 C ATOM 439 C ALA A 46 7.256 -1.488 -8.855 1.00 23.52 C ATOM 440 O ALA A 46 7.577 -2.524 -9.440 1.00 73.40 O ATOM 441 CB ALA A 46 8.770 0.257 -9.805 1.00 2.22 C ATOM 0 H ALA A 46 9.864 -1.778 -8.284 1.00 50.41 H new ATOM 0 HA ALA A 46 7.820 0.325 -7.891 1.00 63.13 H new ATOM 0 HB1 ALA A 46 7.917 0.681 -10.335 1.00 2.22 H new ATOM 0 HB2 ALA A 46 9.472 1.052 -9.552 1.00 2.22 H new ATOM 0 HB3 ALA A 46 9.266 -0.475 -10.443 1.00 2.22 H new ATOM 447 N ASN A 47 6.022 -1.235 -8.458 1.00 33.50 N ATOM 448 CA ASN A 47 4.921 -2.146 -8.728 1.00 23.05 C ATOM 449 C ASN A 47 3.879 -1.459 -9.606 1.00 75.53 C ATOM 450 O ASN A 47 3.894 -0.235 -9.766 1.00 44.54 O ATOM 451 CB ASN A 47 4.266 -2.618 -7.423 1.00 4.42 C ATOM 452 CG ASN A 47 5.186 -3.449 -6.543 1.00 44.42 C ATOM 453 OD1 ASN A 47 5.085 -3.412 -5.317 1.00 35.11 O ATOM 454 ND2 ASN A 47 6.076 -4.216 -7.153 1.00 50.31 N ATOM 0 H ASN A 47 5.754 -0.397 -7.942 1.00 33.50 H new ATOM 0 HA ASN A 47 5.320 -3.016 -9.249 1.00 23.05 H new ATOM 0 HB2 ASN A 47 3.929 -1.747 -6.861 1.00 4.42 H new ATOM 0 HB3 ASN A 47 3.380 -3.205 -7.663 1.00 4.42 H new ATOM 0 HD21 ASN A 47 6.706 -4.801 -6.605 1.00 50.31 H new ATOM 0 HD22 ASN A 47 6.132 -4.222 -8.171 1.00 50.31 H new ATOM 461 N LYS A 48 2.979 -2.247 -10.169 1.00 32.40 N ATOM 462 CA LYS A 48 1.927 -1.723 -11.027 1.00 22.55 C ATOM 463 C LYS A 48 0.619 -1.579 -10.264 1.00 23.03 C ATOM 464 O LYS A 48 0.270 -2.432 -9.449 1.00 43.41 O ATOM 465 CB LYS A 48 1.711 -2.645 -12.226 1.00 3.23 C ATOM 466 CG LYS A 48 2.701 -2.439 -13.357 1.00 71.03 C ATOM 467 CD LYS A 48 2.422 -1.145 -14.103 1.00 61.31 C ATOM 468 CE LYS A 48 3.257 -1.041 -15.367 1.00 33.41 C ATOM 469 NZ LYS A 48 2.856 0.127 -16.197 1.00 65.02 N ATOM 0 H LYS A 48 2.955 -3.259 -10.047 1.00 32.40 H new ATOM 0 HA LYS A 48 2.242 -0.739 -11.374 1.00 22.55 H new ATOM 0 HB2 LYS A 48 1.772 -3.680 -11.889 1.00 3.23 H new ATOM 0 HB3 LYS A 48 0.702 -2.493 -12.609 1.00 3.23 H new ATOM 0 HG2 LYS A 48 3.715 -2.420 -12.957 1.00 71.03 H new ATOM 0 HG3 LYS A 48 2.647 -3.280 -14.049 1.00 71.03 H new ATOM 0 HD2 LYS A 48 1.364 -1.092 -14.359 1.00 61.31 H new ATOM 0 HD3 LYS A 48 2.635 -0.296 -13.454 1.00 61.31 H new ATOM 0 HE2 LYS A 48 4.310 -0.954 -15.101 1.00 33.41 H new ATOM 0 HE3 LYS A 48 3.150 -1.956 -15.950 1.00 33.41 H new ATOM 0 HZ1 LYS A 48 2.788 -0.162 -17.194 1.00 65.02 H new ATOM 0 HZ2 LYS A 48 1.932 0.481 -15.875 1.00 65.02 H new ATOM 0 HZ3 LYS A 48 3.567 0.880 -16.103 1.00 65.02 H new ATOM 483 N ILE A 49 -0.089 -0.489 -10.517 1.00 74.11 N ATOM 484 CA ILE A 49 -1.425 -0.308 -9.975 1.00 54.45 C ATOM 485 C ILE A 49 -2.407 0.064 -11.076 1.00 72.50 C ATOM 486 O ILE A 49 -2.418 1.196 -11.570 1.00 61.51 O ATOM 487 CB ILE A 49 -1.474 0.754 -8.852 1.00 0.23 C ATOM 488 CG1 ILE A 49 -0.595 1.961 -9.197 1.00 33.11 C ATOM 489 CG2 ILE A 49 -1.055 0.138 -7.527 1.00 73.00 C ATOM 490 CD1 ILE A 49 -0.663 3.077 -8.175 1.00 75.14 C ATOM 0 H ILE A 49 0.241 0.284 -11.095 1.00 74.11 H new ATOM 0 HA ILE A 49 -1.712 -1.264 -9.536 1.00 54.45 H new ATOM 0 HB ILE A 49 -2.500 1.109 -8.759 1.00 0.23 H new ATOM 0 HG12 ILE A 49 0.439 1.630 -9.292 1.00 33.11 H new ATOM 0 HG13 ILE A 49 -0.896 2.352 -10.169 1.00 33.11 H new ATOM 0 HG21 ILE A 49 -1.094 0.896 -6.745 1.00 73.00 H new ATOM 0 HG22 ILE A 49 -1.732 -0.678 -7.275 1.00 73.00 H new ATOM 0 HG23 ILE A 49 -0.038 -0.246 -7.610 1.00 73.00 H new ATOM 0 HD11 ILE A 49 -0.015 3.896 -8.487 1.00 75.14 H new ATOM 0 HD12 ILE A 49 -1.689 3.436 -8.096 1.00 75.14 H new ATOM 0 HD13 ILE A 49 -0.334 2.703 -7.206 1.00 75.14 H new ATOM 502 N ASP A 50 -3.197 -0.915 -11.485 1.00 33.14 N ATOM 503 CA ASP A 50 -4.254 -0.699 -12.457 1.00 10.15 C ATOM 504 C ASP A 50 -5.598 -0.617 -11.750 1.00 1.55 C ATOM 505 O ASP A 50 -5.969 -1.511 -10.988 1.00 40.34 O ATOM 506 CB ASP A 50 -4.268 -1.821 -13.499 1.00 31.51 C ATOM 507 CG ASP A 50 -5.573 -1.888 -14.270 1.00 44.50 C ATOM 508 OD1 ASP A 50 -5.754 -1.105 -15.224 1.00 71.15 O ATOM 509 OD2 ASP A 50 -6.429 -2.727 -13.917 1.00 64.44 O ATOM 0 H ASP A 50 -3.124 -1.877 -11.154 1.00 33.14 H new ATOM 0 HA ASP A 50 -4.066 0.242 -12.973 1.00 10.15 H new ATOM 0 HB2 ASP A 50 -3.445 -1.672 -14.198 1.00 31.51 H new ATOM 0 HB3 ASP A 50 -4.095 -2.775 -13.002 1.00 31.51 H new ATOM 514 N SER A 51 -6.311 0.470 -11.979 1.00 53.02 N ATOM 515 CA SER A 51 -7.619 0.670 -11.371 1.00 62.20 C ATOM 516 C SER A 51 -8.481 1.551 -12.270 1.00 3.13 C ATOM 517 O SER A 51 -7.959 2.218 -13.160 1.00 42.14 O ATOM 518 CB SER A 51 -7.466 1.302 -9.984 1.00 74.42 C ATOM 519 OG SER A 51 -6.651 0.497 -9.146 1.00 61.45 O ATOM 0 H SER A 51 -6.007 1.233 -12.584 1.00 53.02 H new ATOM 0 HA SER A 51 -8.110 -0.296 -11.256 1.00 62.20 H new ATOM 0 HB2 SER A 51 -7.027 2.295 -10.079 1.00 74.42 H new ATOM 0 HB3 SER A 51 -8.448 1.430 -9.528 1.00 74.42 H new ATOM 0 HG SER A 51 -6.566 0.921 -8.267 1.00 61.45 H new ATOM 525 N GLY A 52 -9.787 1.561 -12.034 1.00 41.31 N ATOM 526 CA GLY A 52 -10.689 2.336 -12.871 1.00 62.42 C ATOM 527 C GLY A 52 -10.502 3.830 -12.696 1.00 65.52 C ATOM 528 O GLY A 52 -10.531 4.586 -13.667 1.00 71.34 O ATOM 0 H GLY A 52 -10.240 1.047 -11.278 1.00 41.31 H new ATOM 0 HA2 GLY A 52 -10.526 2.073 -13.916 1.00 62.42 H new ATOM 0 HA3 GLY A 52 -11.719 2.071 -12.632 1.00 62.42 H new ATOM 532 N LYS A 53 -10.307 4.250 -11.454 1.00 54.35 N ATOM 533 CA LYS A 53 -10.081 5.658 -11.133 1.00 73.53 C ATOM 534 C LYS A 53 -8.742 6.152 -11.668 1.00 44.25 C ATOM 535 O LYS A 53 -8.544 7.352 -11.862 1.00 2.20 O ATOM 536 CB LYS A 53 -10.093 5.865 -9.615 1.00 25.20 C ATOM 537 CG LYS A 53 -9.098 4.975 -8.876 1.00 41.22 C ATOM 538 CD LYS A 53 -8.698 5.548 -7.522 1.00 13.12 C ATOM 539 CE LYS A 53 -7.830 6.790 -7.675 1.00 0.13 C ATOM 540 NZ LYS A 53 -7.261 7.241 -6.376 1.00 73.21 N ATOM 0 H LYS A 53 -10.300 3.631 -10.643 1.00 54.35 H new ATOM 0 HA LYS A 53 -10.885 6.224 -11.605 1.00 73.53 H new ATOM 0 HB2 LYS A 53 -9.868 6.909 -9.396 1.00 25.20 H new ATOM 0 HB3 LYS A 53 -11.096 5.669 -9.237 1.00 25.20 H new ATOM 0 HG2 LYS A 53 -9.535 3.987 -8.734 1.00 41.22 H new ATOM 0 HG3 LYS A 53 -8.207 4.844 -9.490 1.00 41.22 H new ATOM 0 HD2 LYS A 53 -9.593 5.797 -6.952 1.00 13.12 H new ATOM 0 HD3 LYS A 53 -8.157 4.793 -6.952 1.00 13.12 H new ATOM 0 HE2 LYS A 53 -7.019 6.581 -8.372 1.00 0.13 H new ATOM 0 HE3 LYS A 53 -8.423 7.595 -8.109 1.00 0.13 H new ATOM 0 HZ1 LYS A 53 -6.345 7.705 -6.541 1.00 73.21 H new ATOM 0 HZ2 LYS A 53 -7.914 7.913 -5.926 1.00 73.21 H new ATOM 0 HZ3 LYS A 53 -7.126 6.420 -5.752 1.00 73.21 H new ATOM 554 N LEU A 54 -7.829 5.224 -11.901 1.00 14.02 N ATOM 555 CA LEU A 54 -6.434 5.579 -12.093 1.00 62.21 C ATOM 556 C LEU A 54 -5.939 5.290 -13.508 1.00 51.54 C ATOM 557 O LEU A 54 -5.245 6.109 -14.113 1.00 24.14 O ATOM 558 CB LEU A 54 -5.587 4.800 -11.092 1.00 2.41 C ATOM 559 CG LEU A 54 -4.361 5.540 -10.573 1.00 33.52 C ATOM 560 CD1 LEU A 54 -4.789 6.768 -9.786 1.00 54.42 C ATOM 561 CD2 LEU A 54 -3.513 4.617 -9.714 1.00 15.33 C ATOM 0 H LEU A 54 -8.027 4.225 -11.961 1.00 14.02 H new ATOM 0 HA LEU A 54 -6.342 6.654 -11.936 1.00 62.21 H new ATOM 0 HB2 LEU A 54 -6.214 4.527 -10.243 1.00 2.41 H new ATOM 0 HB3 LEU A 54 -5.261 3.871 -11.560 1.00 2.41 H new ATOM 0 HG LEU A 54 -3.758 5.866 -11.420 1.00 33.52 H new ATOM 0 HD11 LEU A 54 -3.906 7.291 -9.419 1.00 54.42 H new ATOM 0 HD12 LEU A 54 -5.362 7.433 -10.432 1.00 54.42 H new ATOM 0 HD13 LEU A 54 -5.407 6.462 -8.942 1.00 54.42 H new ATOM 0 HD21 LEU A 54 -2.640 5.159 -9.350 1.00 15.33 H new ATOM 0 HD22 LEU A 54 -4.102 4.266 -8.867 1.00 15.33 H new ATOM 0 HD23 LEU A 54 -3.188 3.763 -10.309 1.00 15.33 H new ATOM 573 N GLY A 55 -6.295 4.126 -14.025 1.00 63.44 N ATOM 574 CA GLY A 55 -5.719 3.660 -15.268 1.00 2.01 C ATOM 575 C GLY A 55 -4.508 2.797 -14.997 1.00 31.21 C ATOM 576 O GLY A 55 -4.583 1.855 -14.207 1.00 43.42 O ATOM 0 H GLY A 55 -6.975 3.493 -13.605 1.00 63.44 H new ATOM 0 HA2 GLY A 55 -6.461 3.091 -15.829 1.00 2.01 H new ATOM 0 HA3 GLY A 55 -5.436 4.512 -15.887 1.00 2.01 H new ATOM 580 N TYR A 56 -3.392 3.127 -15.625 1.00 52.44 N ATOM 581 CA TYR A 56 -2.135 2.446 -15.359 1.00 63.24 C ATOM 582 C TYR A 56 -1.143 3.410 -14.726 1.00 63.10 C ATOM 583 O TYR A 56 -0.787 4.427 -15.317 1.00 51.03 O ATOM 584 CB TYR A 56 -1.549 1.860 -16.646 1.00 51.14 C ATOM 585 CG TYR A 56 -2.070 0.482 -16.977 1.00 63.22 C ATOM 586 CD1 TYR A 56 -3.243 0.306 -17.701 1.00 2.12 C ATOM 587 CD2 TYR A 56 -1.381 -0.649 -16.561 1.00 14.52 C ATOM 588 CE1 TYR A 56 -3.713 -0.960 -17.998 1.00 5.43 C ATOM 589 CE2 TYR A 56 -1.842 -1.913 -16.855 1.00 45.52 C ATOM 590 CZ TYR A 56 -3.007 -2.064 -17.572 1.00 3.12 C ATOM 591 OH TYR A 56 -3.465 -3.327 -17.860 1.00 33.54 O ATOM 0 H TYR A 56 -3.330 3.866 -16.326 1.00 52.44 H new ATOM 0 HA TYR A 56 -2.329 1.627 -14.667 1.00 63.24 H new ATOM 0 HB2 TYR A 56 -1.772 2.532 -17.475 1.00 51.14 H new ATOM 0 HB3 TYR A 56 -0.464 1.816 -16.554 1.00 51.14 H new ATOM 0 HD1 TYR A 56 -3.796 1.171 -18.037 1.00 2.12 H new ATOM 0 HD2 TYR A 56 -0.467 -0.536 -15.997 1.00 14.52 H new ATOM 0 HE1 TYR A 56 -4.627 -1.083 -18.560 1.00 5.43 H new ATOM 0 HE2 TYR A 56 -1.292 -2.782 -16.524 1.00 45.52 H new ATOM 0 HH TYR A 56 -2.848 -3.991 -17.487 1.00 33.54 H new ATOM 601 N SER A 57 -0.712 3.099 -13.517 1.00 41.43 N ATOM 602 CA SER A 57 0.231 3.946 -12.810 1.00 75.24 C ATOM 603 C SER A 57 1.242 3.113 -12.032 1.00 13.13 C ATOM 604 O SER A 57 1.181 1.880 -12.036 1.00 53.22 O ATOM 605 CB SER A 57 -0.525 4.889 -11.877 1.00 12.21 C ATOM 606 OG SER A 57 -1.369 5.752 -12.620 1.00 0.42 O ATOM 0 H SER A 57 -1.000 2.266 -13.004 1.00 41.43 H new ATOM 0 HA SER A 57 0.785 4.536 -13.540 1.00 75.24 H new ATOM 0 HB2 SER A 57 -1.119 4.311 -11.169 1.00 12.21 H new ATOM 0 HB3 SER A 57 0.183 5.477 -11.293 1.00 12.21 H new ATOM 0 HG SER A 57 -1.716 6.456 -12.033 1.00 0.42 H new ATOM 612 N ILE A 58 2.176 3.791 -11.378 1.00 25.13 N ATOM 613 CA ILE A 58 3.224 3.124 -10.622 1.00 23.44 C ATOM 614 C ILE A 58 2.987 3.291 -9.131 1.00 24.14 C ATOM 615 O ILE A 58 2.483 4.322 -8.689 1.00 22.31 O ATOM 616 CB ILE A 58 4.620 3.700 -10.960 1.00 10.45 C ATOM 617 CG1 ILE A 58 4.816 3.784 -12.474 1.00 13.31 C ATOM 618 CG2 ILE A 58 5.720 2.853 -10.333 1.00 10.22 C ATOM 619 CD1 ILE A 58 4.804 2.440 -13.175 1.00 24.43 C ATOM 0 H ILE A 58 2.228 4.809 -11.357 1.00 25.13 H new ATOM 0 HA ILE A 58 3.196 2.069 -10.895 1.00 23.44 H new ATOM 0 HB ILE A 58 4.680 4.706 -10.545 1.00 10.45 H new ATOM 0 HG12 ILE A 58 4.030 4.409 -12.897 1.00 13.31 H new ATOM 0 HG13 ILE A 58 5.764 4.281 -12.680 1.00 13.31 H new ATOM 0 HG21 ILE A 58 6.693 3.276 -10.584 1.00 10.22 H new ATOM 0 HG22 ILE A 58 5.598 2.841 -9.250 1.00 10.22 H new ATOM 0 HG23 ILE A 58 5.658 1.834 -10.716 1.00 10.22 H new ATOM 0 HD11 ILE A 58 4.949 2.587 -14.245 1.00 24.43 H new ATOM 0 HD12 ILE A 58 5.608 1.817 -12.782 1.00 24.43 H new ATOM 0 HD13 ILE A 58 3.847 1.948 -13.003 1.00 24.43 H new ATOM 631 N THR A 59 3.327 2.275 -8.369 1.00 71.51 N ATOM 632 CA THR A 59 3.348 2.382 -6.928 1.00 62.32 C ATOM 633 C THR A 59 4.631 1.729 -6.426 1.00 44.31 C ATOM 634 O THR A 59 5.232 0.924 -7.136 1.00 24.42 O ATOM 635 CB THR A 59 2.098 1.739 -6.283 1.00 53.41 C ATOM 636 OG1 THR A 59 1.867 2.304 -4.987 1.00 3.40 O ATOM 637 CG2 THR A 59 2.243 0.229 -6.161 1.00 22.21 C ATOM 0 H THR A 59 3.595 1.358 -8.728 1.00 71.51 H new ATOM 0 HA THR A 59 3.327 3.433 -6.641 1.00 62.32 H new ATOM 0 HB THR A 59 1.248 1.947 -6.933 1.00 53.41 H new ATOM 0 HG1 THR A 59 1.384 3.152 -5.081 1.00 3.40 H new ATOM 0 HG21 THR A 59 1.345 -0.187 -5.703 1.00 22.21 H new ATOM 0 HG22 THR A 59 2.380 -0.205 -7.152 1.00 22.21 H new ATOM 0 HG23 THR A 59 3.108 -0.004 -5.540 1.00 22.21 H new ATOM 645 N VAL A 60 5.069 2.089 -5.236 1.00 72.22 N ATOM 646 CA VAL A 60 6.361 1.636 -4.741 1.00 71.11 C ATOM 647 C VAL A 60 6.253 1.161 -3.301 1.00 41.33 C ATOM 648 O VAL A 60 5.190 1.265 -2.686 1.00 42.41 O ATOM 649 CB VAL A 60 7.429 2.749 -4.828 1.00 2.42 C ATOM 650 CG1 VAL A 60 7.671 3.170 -6.272 1.00 50.33 C ATOM 651 CG2 VAL A 60 7.023 3.944 -3.986 1.00 54.10 C ATOM 0 H VAL A 60 4.554 2.691 -4.593 1.00 72.22 H new ATOM 0 HA VAL A 60 6.669 0.806 -5.377 1.00 71.11 H new ATOM 0 HB VAL A 60 8.363 2.348 -4.435 1.00 2.42 H new ATOM 0 HG11 VAL A 60 8.427 3.954 -6.300 1.00 50.33 H new ATOM 0 HG12 VAL A 60 8.016 2.312 -6.848 1.00 50.33 H new ATOM 0 HG13 VAL A 60 6.742 3.546 -6.702 1.00 50.33 H new ATOM 0 HG21 VAL A 60 7.787 4.718 -4.060 1.00 54.10 H new ATOM 0 HG22 VAL A 60 6.073 4.337 -4.347 1.00 54.10 H new ATOM 0 HG23 VAL A 60 6.917 3.637 -2.946 1.00 54.10 H new ATOM 661 N ALA A 61 7.351 0.612 -2.784 1.00 22.21 N ATOM 662 CA ALA A 61 7.422 0.193 -1.390 1.00 72.24 C ATOM 663 C ALA A 61 6.984 1.323 -0.463 1.00 24.12 C ATOM 664 O ALA A 61 7.296 2.490 -0.702 1.00 45.03 O ATOM 665 CB ALA A 61 8.832 -0.262 -1.048 1.00 71.53 C ATOM 0 H ALA A 61 8.206 0.447 -3.315 1.00 22.21 H new ATOM 0 HA ALA A 61 6.741 -0.646 -1.247 1.00 72.24 H new ATOM 0 HB1 ALA A 61 8.871 -0.572 -0.004 1.00 71.53 H new ATOM 0 HB2 ALA A 61 9.108 -1.101 -1.686 1.00 71.53 H new ATOM 0 HB3 ALA A 61 9.529 0.561 -1.208 1.00 71.53 H new ATOM 671 N GLU A 62 6.277 0.960 0.598 1.00 44.03 N ATOM 672 CA GLU A 62 5.675 1.930 1.514 1.00 33.40 C ATOM 673 C GLU A 62 6.693 2.956 2.043 1.00 12.13 C ATOM 674 O GLU A 62 6.440 4.160 1.969 1.00 11.01 O ATOM 675 CB GLU A 62 4.984 1.204 2.673 1.00 14.34 C ATOM 676 CG GLU A 62 4.043 0.109 2.204 1.00 31.22 C ATOM 677 CD GLU A 62 3.358 -0.617 3.339 1.00 22.34 C ATOM 678 OE1 GLU A 62 4.056 -1.242 4.160 1.00 1.21 O ATOM 679 OE2 GLU A 62 2.109 -0.593 3.392 1.00 42.14 O ATOM 0 H GLU A 62 6.102 -0.012 0.851 1.00 44.03 H new ATOM 0 HA GLU A 62 4.932 2.491 0.947 1.00 33.40 H new ATOM 0 HB2 GLU A 62 5.741 0.771 3.327 1.00 14.34 H new ATOM 0 HB3 GLU A 62 4.425 1.927 3.267 1.00 14.34 H new ATOM 0 HG2 GLU A 62 3.286 0.545 1.551 1.00 31.22 H new ATOM 0 HG3 GLU A 62 4.603 -0.611 1.607 1.00 31.22 H new ATOM 686 N PRO A 63 7.859 2.524 2.576 1.00 64.43 N ATOM 687 CA PRO A 63 8.873 3.460 3.077 1.00 22.44 C ATOM 688 C PRO A 63 9.502 4.291 1.959 1.00 74.21 C ATOM 689 O PRO A 63 9.978 5.404 2.187 1.00 25.24 O ATOM 690 CB PRO A 63 9.931 2.555 3.724 1.00 61.33 C ATOM 691 CG PRO A 63 9.275 1.227 3.880 1.00 52.32 C ATOM 692 CD PRO A 63 8.284 1.125 2.761 1.00 10.01 C ATOM 0 HA PRO A 63 8.439 4.184 3.767 1.00 22.44 H new ATOM 0 HB2 PRO A 63 10.821 2.482 3.099 1.00 61.33 H new ATOM 0 HB3 PRO A 63 10.250 2.951 4.688 1.00 61.33 H new ATOM 0 HG2 PRO A 63 10.007 0.421 3.828 1.00 52.32 H new ATOM 0 HG3 PRO A 63 8.781 1.147 4.848 1.00 52.32 H new ATOM 0 HD2 PRO A 63 8.735 0.716 1.857 1.00 10.01 H new ATOM 0 HD3 PRO A 63 7.446 0.478 3.020 1.00 10.01 H new ATOM 700 N ASP A 64 9.460 3.761 0.744 1.00 34.44 N ATOM 701 CA ASP A 64 10.109 4.398 -0.398 1.00 42.22 C ATOM 702 C ASP A 64 9.129 5.241 -1.208 1.00 74.21 C ATOM 703 O ASP A 64 9.498 5.803 -2.238 1.00 11.51 O ATOM 704 CB ASP A 64 10.747 3.350 -1.321 1.00 31.31 C ATOM 705 CG ASP A 64 11.970 2.681 -0.725 1.00 40.52 C ATOM 706 OD1 ASP A 64 12.963 3.385 -0.443 1.00 12.21 O ATOM 707 OD2 ASP A 64 11.957 1.443 -0.563 1.00 62.13 O ATOM 0 H ASP A 64 8.982 2.888 0.522 1.00 34.44 H new ATOM 0 HA ASP A 64 10.883 5.051 0.005 1.00 42.22 H new ATOM 0 HB2 ASP A 64 10.005 2.587 -1.558 1.00 31.31 H new ATOM 0 HB3 ASP A 64 11.026 3.827 -2.261 1.00 31.31 H new ATOM 712 N PHE A 65 7.887 5.347 -0.744 1.00 62.12 N ATOM 713 CA PHE A 65 6.864 6.075 -1.490 1.00 42.21 C ATOM 714 C PHE A 65 7.219 7.552 -1.607 1.00 3.24 C ATOM 715 O PHE A 65 6.940 8.187 -2.624 1.00 51.50 O ATOM 716 CB PHE A 65 5.484 5.908 -0.851 1.00 52.22 C ATOM 717 CG PHE A 65 4.383 6.523 -1.671 1.00 52.20 C ATOM 718 CD1 PHE A 65 4.030 5.976 -2.894 1.00 51.32 C ATOM 719 CD2 PHE A 65 3.715 7.653 -1.231 1.00 3.01 C ATOM 720 CE1 PHE A 65 3.033 6.545 -3.664 1.00 54.34 C ATOM 721 CE2 PHE A 65 2.718 8.229 -1.997 1.00 54.01 C ATOM 722 CZ PHE A 65 2.376 7.673 -3.213 1.00 44.55 C ATOM 0 H PHE A 65 7.566 4.943 0.136 1.00 62.12 H new ATOM 0 HA PHE A 65 6.827 5.649 -2.493 1.00 42.21 H new ATOM 0 HB2 PHE A 65 5.279 4.846 -0.713 1.00 52.22 H new ATOM 0 HB3 PHE A 65 5.490 6.363 0.140 1.00 52.22 H new ATOM 0 HD1 PHE A 65 4.540 5.094 -3.250 1.00 51.32 H new ATOM 0 HD2 PHE A 65 3.976 8.090 -0.278 1.00 3.01 H new ATOM 0 HE1 PHE A 65 2.768 6.109 -4.616 1.00 54.34 H new ATOM 0 HE2 PHE A 65 2.208 9.113 -1.644 1.00 54.01 H new ATOM 0 HZ PHE A 65 1.595 8.119 -3.811 1.00 44.55 H new ATOM 732 N THR A 66 7.844 8.093 -0.574 1.00 22.05 N ATOM 733 CA THR A 66 8.289 9.477 -0.593 1.00 41.25 C ATOM 734 C THR A 66 9.333 9.697 -1.693 1.00 32.23 C ATOM 735 O THR A 66 9.459 10.797 -2.236 1.00 23.10 O ATOM 736 CB THR A 66 8.858 9.899 0.781 1.00 11.42 C ATOM 737 OG1 THR A 66 9.221 11.284 0.760 1.00 51.22 O ATOM 738 CG2 THR A 66 10.065 9.054 1.165 1.00 54.15 C ATOM 0 H THR A 66 8.055 7.594 0.290 1.00 22.05 H new ATOM 0 HA THR A 66 7.422 10.102 -0.808 1.00 41.25 H new ATOM 0 HB THR A 66 8.080 9.739 1.528 1.00 11.42 H new ATOM 0 HG1 THR A 66 9.579 11.542 1.635 1.00 51.22 H new ATOM 0 HG21 THR A 66 10.441 9.376 2.136 1.00 54.15 H new ATOM 0 HG22 THR A 66 9.773 8.005 1.219 1.00 54.15 H new ATOM 0 HG23 THR A 66 10.847 9.174 0.415 1.00 54.15 H new ATOM 746 N ALA A 67 10.055 8.637 -2.043 1.00 21.45 N ATOM 747 CA ALA A 67 11.069 8.715 -3.083 1.00 35.14 C ATOM 748 C ALA A 67 10.424 8.709 -4.462 1.00 61.14 C ATOM 749 O ALA A 67 10.871 9.415 -5.362 1.00 31.42 O ATOM 750 CB ALA A 67 12.062 7.572 -2.952 1.00 21.13 C ATOM 0 H ALA A 67 9.955 7.714 -1.620 1.00 21.45 H new ATOM 0 HA ALA A 67 11.611 9.653 -2.962 1.00 35.14 H new ATOM 0 HB1 ALA A 67 12.812 7.649 -3.739 1.00 21.13 H new ATOM 0 HB2 ALA A 67 12.551 7.624 -1.979 1.00 21.13 H new ATOM 0 HB3 ALA A 67 11.537 6.621 -3.043 1.00 21.13 H new ATOM 756 N ALA A 68 9.362 7.919 -4.615 1.00 43.43 N ATOM 757 CA ALA A 68 8.608 7.869 -5.867 1.00 2.04 C ATOM 758 C ALA A 68 8.151 9.263 -6.274 1.00 75.02 C ATOM 759 O ALA A 68 8.312 9.673 -7.423 1.00 53.52 O ATOM 760 CB ALA A 68 7.411 6.948 -5.722 1.00 62.54 C ATOM 0 H ALA A 68 9.004 7.303 -3.885 1.00 43.43 H new ATOM 0 HA ALA A 68 9.262 7.478 -6.647 1.00 2.04 H new ATOM 0 HB1 ALA A 68 6.858 6.920 -6.661 1.00 62.54 H new ATOM 0 HB2 ALA A 68 7.753 5.944 -5.472 1.00 62.54 H new ATOM 0 HB3 ALA A 68 6.761 7.318 -4.929 1.00 62.54 H new ATOM 766 N VAL A 69 7.601 9.995 -5.311 1.00 10.40 N ATOM 767 CA VAL A 69 7.139 11.357 -5.550 1.00 4.52 C ATOM 768 C VAL A 69 8.301 12.253 -5.979 1.00 3.30 C ATOM 769 O VAL A 69 8.154 13.107 -6.851 1.00 33.13 O ATOM 770 CB VAL A 69 6.475 11.954 -4.290 1.00 70.41 C ATOM 771 CG1 VAL A 69 5.914 13.336 -4.580 1.00 62.43 C ATOM 772 CG2 VAL A 69 5.385 11.031 -3.765 1.00 25.41 C ATOM 0 H VAL A 69 7.464 9.666 -4.355 1.00 10.40 H new ATOM 0 HA VAL A 69 6.399 11.313 -6.349 1.00 4.52 H new ATOM 0 HB VAL A 69 7.239 12.051 -3.519 1.00 70.41 H new ATOM 0 HG11 VAL A 69 5.451 13.737 -3.678 1.00 62.43 H new ATOM 0 HG12 VAL A 69 6.720 13.997 -4.899 1.00 62.43 H new ATOM 0 HG13 VAL A 69 5.168 13.267 -5.371 1.00 62.43 H new ATOM 0 HG21 VAL A 69 4.931 11.472 -2.877 1.00 25.41 H new ATOM 0 HG22 VAL A 69 4.623 10.895 -4.532 1.00 25.41 H new ATOM 0 HG23 VAL A 69 5.819 10.064 -3.509 1.00 25.41 H new ATOM 782 N TYR A 70 9.457 12.029 -5.368 1.00 3.10 N ATOM 783 CA TYR A 70 10.662 12.793 -5.669 1.00 24.23 C ATOM 784 C TYR A 70 11.056 12.599 -7.134 1.00 55.32 C ATOM 785 O TYR A 70 11.325 13.565 -7.856 1.00 53.34 O ATOM 786 CB TYR A 70 11.796 12.328 -4.748 1.00 24.45 C ATOM 787 CG TYR A 70 12.942 13.307 -4.589 1.00 44.23 C ATOM 788 CD1 TYR A 70 13.692 13.735 -5.678 1.00 45.01 C ATOM 789 CD2 TYR A 70 13.283 13.787 -3.332 1.00 55.53 C ATOM 790 CE1 TYR A 70 14.748 14.613 -5.515 1.00 73.22 C ATOM 791 CE2 TYR A 70 14.332 14.666 -3.163 1.00 1.21 C ATOM 792 CZ TYR A 70 15.062 15.076 -4.254 1.00 63.10 C ATOM 793 OH TYR A 70 16.117 15.942 -4.080 1.00 23.02 O ATOM 0 H TYR A 70 9.586 11.315 -4.652 1.00 3.10 H new ATOM 0 HA TYR A 70 10.472 13.853 -5.502 1.00 24.23 H new ATOM 0 HB2 TYR A 70 11.379 12.118 -3.763 1.00 24.45 H new ATOM 0 HB3 TYR A 70 12.193 11.389 -5.133 1.00 24.45 H new ATOM 0 HD1 TYR A 70 13.446 13.376 -6.667 1.00 45.01 H new ATOM 0 HD2 TYR A 70 12.716 13.466 -2.470 1.00 55.53 H new ATOM 0 HE1 TYR A 70 15.324 14.934 -6.370 1.00 73.22 H new ATOM 0 HE2 TYR A 70 14.579 15.031 -2.177 1.00 1.21 H new ATOM 0 HH TYR A 70 16.200 16.170 -3.131 1.00 23.02 H new ATOM 803 N TRP A 71 11.065 11.344 -7.571 1.00 12.12 N ATOM 804 CA TRP A 71 11.484 11.004 -8.926 1.00 3.40 C ATOM 805 C TRP A 71 10.494 11.546 -9.953 1.00 24.53 C ATOM 806 O TRP A 71 10.888 12.027 -11.015 1.00 41.43 O ATOM 807 CB TRP A 71 11.633 9.483 -9.082 1.00 41.24 C ATOM 808 CG TRP A 71 12.492 8.843 -8.024 1.00 30.41 C ATOM 809 CD1 TRP A 71 12.323 7.601 -7.478 1.00 50.02 C ATOM 810 CD2 TRP A 71 13.637 9.412 -7.371 1.00 44.52 C ATOM 811 NE1 TRP A 71 13.288 7.364 -6.529 1.00 11.10 N ATOM 812 CE2 TRP A 71 14.103 8.460 -6.443 1.00 72.22 C ATOM 813 CE3 TRP A 71 14.314 10.630 -7.478 1.00 52.01 C ATOM 814 CZ2 TRP A 71 15.208 8.692 -5.631 1.00 64.14 C ATOM 815 CZ3 TRP A 71 15.409 10.858 -6.671 1.00 2.35 C ATOM 816 CH2 TRP A 71 15.847 9.893 -5.758 1.00 62.42 C ATOM 0 H TRP A 71 10.786 10.543 -7.004 1.00 12.12 H new ATOM 0 HA TRP A 71 12.454 11.468 -9.105 1.00 3.40 H new ATOM 0 HB2 TRP A 71 10.644 9.026 -9.058 1.00 41.24 H new ATOM 0 HB3 TRP A 71 12.060 9.268 -10.062 1.00 41.24 H new ATOM 0 HD1 TRP A 71 11.543 6.906 -7.753 1.00 50.02 H new ATOM 0 HE1 TRP A 71 13.382 6.510 -5.978 1.00 11.10 H new ATOM 0 HE3 TRP A 71 13.985 11.381 -8.181 1.00 52.01 H new ATOM 0 HZ2 TRP A 71 15.549 7.949 -4.925 1.00 64.14 H new ATOM 0 HZ3 TRP A 71 15.937 11.797 -6.745 1.00 2.35 H new ATOM 0 HH2 TRP A 71 16.708 10.102 -5.141 1.00 62.42 H new ATOM 827 N ILE A 72 9.210 11.487 -9.625 1.00 63.33 N ATOM 828 CA ILE A 72 8.177 11.992 -10.521 1.00 21.03 C ATOM 829 C ILE A 72 8.194 13.516 -10.556 1.00 43.13 C ATOM 830 O ILE A 72 7.858 14.128 -11.569 1.00 65.33 O ATOM 831 CB ILE A 72 6.773 11.495 -10.113 1.00 12.04 C ATOM 832 CG1 ILE A 72 6.748 9.969 -10.079 1.00 75.24 C ATOM 833 CG2 ILE A 72 5.713 12.014 -11.072 1.00 45.13 C ATOM 834 CD1 ILE A 72 7.161 9.323 -11.384 1.00 15.23 C ATOM 0 H ILE A 72 8.860 11.097 -8.750 1.00 63.33 H new ATOM 0 HA ILE A 72 8.397 11.607 -11.516 1.00 21.03 H new ATOM 0 HB ILE A 72 6.550 11.879 -9.118 1.00 12.04 H new ATOM 0 HG12 ILE A 72 7.411 9.621 -9.286 1.00 75.24 H new ATOM 0 HG13 ILE A 72 5.742 9.637 -9.822 1.00 75.24 H new ATOM 0 HG21 ILE A 72 4.733 11.650 -10.763 1.00 45.13 H new ATOM 0 HG22 ILE A 72 5.715 13.104 -11.061 1.00 45.13 H new ATOM 0 HG23 ILE A 72 5.930 11.661 -12.080 1.00 45.13 H new ATOM 0 HD11 ILE A 72 7.118 8.239 -11.283 1.00 15.23 H new ATOM 0 HD12 ILE A 72 6.484 9.640 -12.177 1.00 15.23 H new ATOM 0 HD13 ILE A 72 8.178 9.624 -11.633 1.00 15.23 H new ATOM 846 N LYS A 73 8.604 14.122 -9.451 1.00 43.14 N ATOM 847 CA LYS A 73 8.752 15.570 -9.381 1.00 64.23 C ATOM 848 C LYS A 73 9.883 16.027 -10.300 1.00 5.04 C ATOM 849 O LYS A 73 9.905 17.168 -10.764 1.00 12.10 O ATOM 850 CB LYS A 73 9.032 15.996 -7.938 1.00 54.23 C ATOM 851 CG LYS A 73 9.067 17.502 -7.734 1.00 52.31 C ATOM 852 CD LYS A 73 9.283 17.865 -6.272 1.00 55.41 C ATOM 853 CE LYS A 73 8.156 17.353 -5.388 1.00 25.01 C ATOM 854 NZ LYS A 73 6.842 17.934 -5.766 1.00 4.52 N ATOM 0 H LYS A 73 8.841 13.633 -8.588 1.00 43.14 H new ATOM 0 HA LYS A 73 7.825 16.039 -9.711 1.00 64.23 H new ATOM 0 HB2 LYS A 73 8.267 15.569 -7.289 1.00 54.23 H new ATOM 0 HB3 LYS A 73 9.987 15.575 -7.624 1.00 54.23 H new ATOM 0 HG2 LYS A 73 9.865 17.933 -8.338 1.00 52.31 H new ATOM 0 HG3 LYS A 73 8.131 17.939 -8.083 1.00 52.31 H new ATOM 0 HD2 LYS A 73 10.230 17.448 -5.931 1.00 55.41 H new ATOM 0 HD3 LYS A 73 9.358 18.948 -6.174 1.00 55.41 H new ATOM 0 HE2 LYS A 73 8.105 16.266 -5.459 1.00 25.01 H new ATOM 0 HE3 LYS A 73 8.373 17.595 -4.348 1.00 25.01 H new ATOM 0 HZ1 LYS A 73 6.135 17.695 -5.041 1.00 4.52 H new ATOM 0 HZ2 LYS A 73 6.928 18.968 -5.839 1.00 4.52 H new ATOM 0 HZ3 LYS A 73 6.542 17.546 -6.683 1.00 4.52 H new ATOM 868 N THR A 74 10.809 15.112 -10.569 1.00 44.21 N ATOM 869 CA THR A 74 11.931 15.383 -11.451 1.00 3.34 C ATOM 870 C THR A 74 11.484 15.309 -12.917 1.00 21.13 C ATOM 871 O THR A 74 12.108 15.898 -13.805 1.00 44.41 O ATOM 872 CB THR A 74 13.077 14.379 -11.195 1.00 63.42 C ATOM 873 OG1 THR A 74 13.362 14.312 -9.788 1.00 61.35 O ATOM 874 CG2 THR A 74 14.340 14.785 -11.940 1.00 42.14 C ATOM 0 H THR A 74 10.800 14.168 -10.183 1.00 44.21 H new ATOM 0 HA THR A 74 12.297 16.389 -11.243 1.00 3.34 H new ATOM 0 HB THR A 74 12.755 13.403 -11.558 1.00 63.42 H new ATOM 0 HG1 THR A 74 12.595 13.925 -9.317 1.00 61.35 H new ATOM 0 HG21 THR A 74 15.129 14.060 -11.741 1.00 42.14 H new ATOM 0 HG22 THR A 74 14.137 14.815 -13.011 1.00 42.14 H new ATOM 0 HG23 THR A 74 14.660 15.771 -11.603 1.00 42.14 H new ATOM 882 N TYR A 75 10.392 14.589 -13.160 1.00 33.42 N ATOM 883 CA TYR A 75 9.824 14.485 -14.496 1.00 13.03 C ATOM 884 C TYR A 75 9.101 15.779 -14.852 1.00 11.14 C ATOM 885 O TYR A 75 8.192 16.209 -14.143 1.00 32.42 O ATOM 886 CB TYR A 75 8.858 13.293 -14.576 1.00 33.40 C ATOM 887 CG TYR A 75 8.218 13.110 -15.938 1.00 35.34 C ATOM 888 CD1 TYR A 75 8.833 12.342 -16.919 1.00 55.22 C ATOM 889 CD2 TYR A 75 7.000 13.706 -16.240 1.00 52.44 C ATOM 890 CE1 TYR A 75 8.253 12.177 -18.162 1.00 41.03 C ATOM 891 CE2 TYR A 75 6.415 13.543 -17.480 1.00 20.12 C ATOM 892 CZ TYR A 75 7.045 12.780 -18.438 1.00 72.24 C ATOM 893 OH TYR A 75 6.468 12.623 -19.678 1.00 53.51 O ATOM 0 H TYR A 75 9.883 14.069 -12.445 1.00 33.42 H new ATOM 0 HA TYR A 75 10.630 14.322 -15.211 1.00 13.03 H new ATOM 0 HB2 TYR A 75 9.397 12.383 -14.314 1.00 33.40 H new ATOM 0 HB3 TYR A 75 8.073 13.424 -13.831 1.00 33.40 H new ATOM 0 HD1 TYR A 75 9.779 11.867 -16.707 1.00 55.22 H new ATOM 0 HD2 TYR A 75 6.503 14.307 -15.493 1.00 52.44 H new ATOM 0 HE1 TYR A 75 8.744 11.578 -18.914 1.00 41.03 H new ATOM 0 HE2 TYR A 75 5.467 14.012 -17.698 1.00 20.12 H new ATOM 0 HH TYR A 75 5.619 13.111 -19.708 1.00 53.51 H new ATOM 903 N GLN A 76 9.519 16.404 -15.939 1.00 5.41 N ATOM 904 CA GLN A 76 8.910 17.648 -16.379 1.00 62.21 C ATOM 905 C GLN A 76 8.080 17.422 -17.631 1.00 11.51 C ATOM 906 O GLN A 76 8.675 17.266 -18.718 1.00 74.42 O ATOM 907 CB GLN A 76 9.976 18.713 -16.635 1.00 34.12 C ATOM 908 CG GLN A 76 10.713 19.150 -15.379 1.00 33.41 C ATOM 909 CD GLN A 76 9.795 19.787 -14.350 1.00 20.02 C ATOM 910 OE1 GLN A 76 9.577 20.998 -14.362 1.00 14.34 O ATOM 911 NE2 GLN A 76 9.257 18.981 -13.448 1.00 15.45 N ATOM 912 OXT GLN A 76 6.835 17.398 -17.521 1.00 0.00 O ATOM 0 H GLN A 76 10.278 16.071 -16.534 1.00 5.41 H new ATOM 0 HA GLN A 76 8.253 18.003 -15.585 1.00 62.21 H new ATOM 0 HB2 GLN A 76 10.698 18.327 -17.354 1.00 34.12 H new ATOM 0 HB3 GLN A 76 9.506 19.584 -17.092 1.00 34.12 H new ATOM 0 HG2 GLN A 76 11.207 18.286 -14.934 1.00 33.41 H new ATOM 0 HG3 GLN A 76 11.495 19.859 -15.650 1.00 33.41 H new ATOM 0 HE21 GLN A 76 9.461 17.982 -13.470 1.00 15.45 H new ATOM 0 HE22 GLN A 76 8.638 19.359 -12.731 1.00 15.45 H new TER 921 GLN A 76