USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 889 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 86 THR OG1 : rot -29:sc= 0.598 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.278 K(o=0.88,f=0.34) USER MOD Set 2.1: A 47 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.79) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0.278 USER MOD Single : A 1 MET CE :methyl -175:sc= -0.881 (180deg=-0.931) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0161) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 105:sc= 1.21 USER MOD Single : A 7 TYR OH : rot 64:sc= 0.877 USER MOD Single : A 16 SER OG : rot 76:sc= 0.56 USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= 0.934 (180deg=-0.0632) USER MOD Single : A 21 THR OG1 : rot -170:sc= -1.18 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 0.00906 (180deg=-0.287) USER MOD Single : A 33 SER OG : rot 127:sc= 0.49 USER MOD Single : A 37 ASN : amide:sc= -0.636 K(o=-0.64,f=-10!) USER MOD Single : A 40 ASN : amide:sc= -0.0167 K(o=-0.017,f=-3.1!) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0378) USER MOD Single : A 49 THR OG1 : rot 140:sc= 0.369 USER MOD Single : A 51 SER OG : rot 84:sc= 0.977 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 162:sc= -0.106 (180deg=-0.602) USER MOD Single : A 69 HIS : no HD1:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 71 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.62) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 0.875 (180deg=0.767) USER MOD Single : A 83 GLN : amide:sc= 0.762 K(o=0.76,f=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 35:sc= -0.482 USER MOD Single : A 91 LYS NZ :NH3+ 178:sc= 0.552 (180deg=0.546) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 96 HIS : no HE2:sc= -0.221 X(o=-0.22,f=-0.071) USER MOD Single : A 97 THR OG1 : rot 71:sc= 0.223 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -161:sc= 0.995 (180deg=0.754) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 0.53 (180deg=0.456) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= 0.835 (180deg=0.642) USER MOD Single : A 116 LYS NZ :NH3+ 166:sc= -0.0108 (180deg=-0.191) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= 0.635 (180deg=0.114) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.877 -8.605 16.989 1.00 14.15 N ATOM 2 CA MET A 1 4.491 -8.658 15.643 1.00 61.22 C ATOM 3 C MET A 1 5.543 -9.750 15.579 1.00 53.42 C ATOM 4 O MET A 1 6.590 -9.662 16.223 1.00 33.12 O ATOM 5 CB MET A 1 5.128 -7.315 15.274 1.00 44.24 C ATOM 6 CG MET A 1 4.129 -6.224 14.937 1.00 14.33 C ATOM 7 SD MET A 1 4.895 -4.596 14.772 1.00 12.23 S ATOM 8 CE MET A 1 6.056 -4.865 13.437 1.00 35.54 C ATOM 0 H1 MET A 1 3.102 -7.911 16.990 1.00 14.15 H new ATOM 0 H2 MET A 1 3.502 -9.543 17.237 1.00 14.15 H new ATOM 0 H3 MET A 1 4.595 -8.324 17.687 1.00 14.15 H new ATOM 0 HA MET A 1 3.698 -8.879 14.928 1.00 61.22 H new ATOM 0 HB2 MET A 1 5.749 -6.980 16.105 1.00 44.24 H new ATOM 0 HB3 MET A 1 5.790 -7.462 14.421 1.00 44.24 H new ATOM 0 HG2 MET A 1 3.622 -6.477 14.006 1.00 14.33 H new ATOM 0 HG3 MET A 1 3.366 -6.184 15.715 1.00 14.33 H new ATOM 0 HE1 MET A 1 6.658 -3.968 13.292 1.00 35.54 H new ATOM 0 HE2 MET A 1 6.708 -5.703 13.685 1.00 35.54 H new ATOM 0 HE3 MET A 1 5.511 -5.089 12.520 1.00 35.54 H new ATOM 20 N LYS A 2 5.249 -10.783 14.812 1.00 50.34 N ATOM 21 CA LYS A 2 6.207 -11.845 14.551 1.00 44.21 C ATOM 22 C LYS A 2 6.777 -11.654 13.159 1.00 14.44 C ATOM 23 O LYS A 2 6.112 -11.084 12.299 1.00 24.23 O ATOM 24 CB LYS A 2 5.549 -13.221 14.672 1.00 72.45 C ATOM 25 CG LYS A 2 5.092 -13.552 16.080 1.00 11.33 C ATOM 26 CD LYS A 2 4.463 -14.928 16.148 1.00 72.40 C ATOM 27 CE LYS A 2 4.091 -15.301 17.572 1.00 52.42 C ATOM 28 NZ LYS A 2 3.570 -16.687 17.657 1.00 22.42 N ATOM 0 H LYS A 2 4.346 -10.911 14.354 1.00 50.34 H new ATOM 0 HA LYS A 2 7.006 -11.797 15.290 1.00 44.21 H new ATOM 0 HB2 LYS A 2 4.692 -13.265 14.001 1.00 72.45 H new ATOM 0 HB3 LYS A 2 6.254 -13.983 14.339 1.00 72.45 H new ATOM 0 HG2 LYS A 2 5.942 -13.505 16.761 1.00 11.33 H new ATOM 0 HG3 LYS A 2 4.373 -12.805 16.416 1.00 11.33 H new ATOM 0 HD2 LYS A 2 3.573 -14.953 15.520 1.00 72.40 H new ATOM 0 HD3 LYS A 2 5.157 -15.667 15.747 1.00 72.40 H new ATOM 0 HE2 LYS A 2 4.966 -15.201 18.215 1.00 52.42 H new ATOM 0 HE3 LYS A 2 3.339 -14.606 17.946 1.00 52.42 H new ATOM 0 HZ1 LYS A 2 3.326 -16.906 18.644 1.00 22.42 H new ATOM 0 HZ2 LYS A 2 2.721 -16.776 17.063 1.00 22.42 H new ATOM 0 HZ3 LYS A 2 4.297 -17.352 17.324 1.00 22.42 H new ATOM 42 N ASP A 3 8.001 -12.113 12.939 1.00 61.01 N ATOM 43 CA ASP A 3 8.679 -11.917 11.659 1.00 1.11 C ATOM 44 C ASP A 3 8.031 -12.730 10.533 1.00 11.13 C ATOM 45 O ASP A 3 8.160 -13.950 10.450 1.00 11.22 O ATOM 46 CB ASP A 3 10.188 -12.194 11.775 1.00 33.43 C ATOM 47 CG ASP A 3 10.550 -13.475 12.502 1.00 22.32 C ATOM 48 OD1 ASP A 3 10.503 -13.483 13.747 1.00 24.34 O ATOM 49 OD2 ASP A 3 10.931 -14.456 11.833 1.00 12.40 O ATOM 0 H ASP A 3 8.549 -12.625 13.630 1.00 61.01 H new ATOM 0 HA ASP A 3 8.562 -10.867 11.390 1.00 1.11 H new ATOM 0 HB2 ASP A 3 10.614 -12.230 10.772 1.00 33.43 H new ATOM 0 HB3 ASP A 3 10.657 -11.356 12.291 1.00 33.43 H new ATOM 54 N GLY A 4 7.323 -12.014 9.669 1.00 21.30 N ATOM 55 CA GLY A 4 6.579 -12.630 8.603 1.00 51.23 C ATOM 56 C GLY A 4 6.295 -11.649 7.495 1.00 0.43 C ATOM 57 O GLY A 4 7.025 -10.674 7.321 1.00 54.01 O ATOM 0 H GLY A 4 7.255 -10.997 9.695 1.00 21.30 H new ATOM 0 HA2 GLY A 4 7.140 -13.477 8.207 1.00 51.23 H new ATOM 0 HA3 GLY A 4 5.640 -13.024 8.992 1.00 51.23 H new ATOM 61 N THR A 5 5.237 -11.896 6.749 1.00 45.00 N ATOM 62 CA THR A 5 4.865 -11.034 5.646 1.00 54.53 C ATOM 63 C THR A 5 3.356 -10.800 5.657 1.00 50.20 C ATOM 64 O THR A 5 2.565 -11.693 5.380 1.00 23.01 O ATOM 65 CB THR A 5 5.300 -11.633 4.296 1.00 13.21 C ATOM 66 OG1 THR A 5 6.598 -12.221 4.423 1.00 2.34 O ATOM 67 CG2 THR A 5 5.342 -10.569 3.212 1.00 42.33 C ATOM 0 H THR A 5 4.616 -12.693 6.889 1.00 45.00 H new ATOM 0 HA THR A 5 5.380 -10.081 5.770 1.00 54.53 H new ATOM 0 HB THR A 5 4.570 -12.392 4.014 1.00 13.21 H new ATOM 0 HG1 THR A 5 6.870 -12.602 3.562 1.00 2.34 H new ATOM 0 HG21 THR A 5 5.652 -11.021 2.270 1.00 42.33 H new ATOM 0 HG22 THR A 5 4.351 -10.130 3.095 1.00 42.33 H new ATOM 0 HG23 THR A 5 6.053 -9.792 3.493 1.00 42.33 H new ATOM 75 N TYR A 6 2.977 -9.595 6.003 1.00 41.35 N ATOM 76 CA TYR A 6 1.582 -9.213 6.119 1.00 33.11 C ATOM 77 C TYR A 6 1.129 -8.595 4.830 1.00 31.42 C ATOM 78 O TYR A 6 1.863 -7.860 4.209 1.00 4.13 O ATOM 79 CB TYR A 6 1.422 -8.201 7.256 1.00 22.31 C ATOM 80 CG TYR A 6 2.075 -8.602 8.546 1.00 33.50 C ATOM 81 CD1 TYR A 6 1.571 -9.634 9.304 1.00 15.21 C ATOM 82 CD2 TYR A 6 3.177 -7.921 9.016 1.00 40.20 C ATOM 83 CE1 TYR A 6 2.151 -9.983 10.495 1.00 34.33 C ATOM 84 CE2 TYR A 6 3.765 -8.271 10.207 1.00 3.11 C ATOM 85 CZ TYR A 6 3.245 -9.296 10.945 1.00 4.13 C ATOM 86 OH TYR A 6 3.802 -9.617 12.155 1.00 14.31 O ATOM 0 H TYR A 6 3.630 -8.841 6.215 1.00 41.35 H new ATOM 0 HA TYR A 6 0.978 -10.095 6.333 1.00 33.11 H new ATOM 0 HB2 TYR A 6 1.837 -7.246 6.935 1.00 22.31 H new ATOM 0 HB3 TYR A 6 0.359 -8.042 7.436 1.00 22.31 H new ATOM 0 HD1 TYR A 6 0.705 -10.177 8.955 1.00 15.21 H new ATOM 0 HD2 TYR A 6 3.583 -7.102 8.441 1.00 40.20 H new ATOM 0 HE1 TYR A 6 1.746 -10.798 11.077 1.00 34.33 H new ATOM 0 HE2 TYR A 6 4.636 -7.737 10.559 1.00 3.11 H new ATOM 0 HH TYR A 6 4.634 -10.114 12.011 1.00 14.31 H new ATOM 96 N TYR A 7 -0.057 -8.925 4.409 1.00 63.44 N ATOM 97 CA TYR A 7 -0.594 -8.359 3.202 1.00 61.52 C ATOM 98 C TYR A 7 -2.083 -8.104 3.386 1.00 74.40 C ATOM 99 O TYR A 7 -2.780 -8.895 4.035 1.00 4.04 O ATOM 100 CB TYR A 7 -0.236 -9.290 2.012 1.00 52.01 C ATOM 101 CG TYR A 7 -1.340 -9.613 1.032 1.00 34.21 C ATOM 102 CD1 TYR A 7 -2.191 -10.679 1.271 1.00 24.25 C ATOM 103 CD2 TYR A 7 -1.506 -8.878 -0.132 1.00 45.22 C ATOM 104 CE1 TYR A 7 -3.189 -11.006 0.374 1.00 64.31 C ATOM 105 CE2 TYR A 7 -2.495 -9.200 -1.037 1.00 2.33 C ATOM 106 CZ TYR A 7 -3.337 -10.261 -0.783 1.00 61.21 C ATOM 107 OH TYR A 7 -4.321 -10.583 -1.691 1.00 53.30 O ATOM 0 H TYR A 7 -0.674 -9.585 4.883 1.00 63.44 H new ATOM 0 HA TYR A 7 -0.154 -7.388 2.974 1.00 61.52 H new ATOM 0 HB2 TYR A 7 0.583 -8.831 1.459 1.00 52.01 H new ATOM 0 HB3 TYR A 7 0.140 -10.229 2.419 1.00 52.01 H new ATOM 0 HD1 TYR A 7 -2.073 -11.263 2.172 1.00 24.25 H new ATOM 0 HD2 TYR A 7 -0.852 -8.042 -0.332 1.00 45.22 H new ATOM 0 HE1 TYR A 7 -3.849 -11.837 0.574 1.00 64.31 H new ATOM 0 HE2 TYR A 7 -2.610 -8.622 -1.942 1.00 2.33 H new ATOM 0 HH TYR A 7 -5.201 -10.457 -1.278 1.00 53.30 H new ATOM 117 N ALA A 8 -2.554 -6.991 2.852 1.00 21.53 N ATOM 118 CA ALA A 8 -3.968 -6.687 2.835 1.00 13.44 C ATOM 119 C ALA A 8 -4.325 -6.019 1.531 1.00 30.53 C ATOM 120 O ALA A 8 -3.535 -5.257 0.984 1.00 20.11 O ATOM 121 CB ALA A 8 -4.358 -5.812 4.008 1.00 0.44 C ATOM 0 H ALA A 8 -1.967 -6.277 2.420 1.00 21.53 H new ATOM 0 HA ALA A 8 -4.524 -7.620 2.925 1.00 13.44 H new ATOM 0 HB1 ALA A 8 -5.427 -5.602 3.966 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -4.126 -6.328 4.940 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -3.802 -4.875 3.964 1.00 0.44 H new ATOM 127 N GLU A 9 -5.515 -6.306 1.053 1.00 42.14 N ATOM 128 CA GLU A 9 -5.979 -5.807 -0.226 1.00 20.03 C ATOM 129 C GLU A 9 -7.145 -4.852 -0.007 1.00 3.31 C ATOM 130 O GLU A 9 -7.889 -4.992 0.972 1.00 24.15 O ATOM 131 CB GLU A 9 -6.365 -7.000 -1.109 1.00 70.21 C ATOM 132 CG GLU A 9 -7.457 -7.876 -0.522 1.00 5.43 C ATOM 133 CD GLU A 9 -7.499 -9.255 -1.122 1.00 61.44 C ATOM 134 OE1 GLU A 9 -8.149 -9.433 -2.166 1.00 2.44 O ATOM 135 OE2 GLU A 9 -6.905 -10.177 -0.525 1.00 64.55 O ATOM 0 H GLU A 9 -6.192 -6.894 1.540 1.00 42.14 H new ATOM 0 HA GLU A 9 -5.193 -5.249 -0.734 1.00 20.03 H new ATOM 0 HB2 GLU A 9 -6.694 -6.629 -2.080 1.00 70.21 H new ATOM 0 HB3 GLU A 9 -5.479 -7.610 -1.285 1.00 70.21 H new ATOM 0 HG2 GLU A 9 -7.307 -7.960 0.554 1.00 5.43 H new ATOM 0 HG3 GLU A 9 -8.422 -7.392 -0.673 1.00 5.43 H new ATOM 142 N ALA A 10 -7.264 -3.854 -0.887 1.00 73.22 N ATOM 143 CA ALA A 10 -8.281 -2.803 -0.765 1.00 72.44 C ATOM 144 C ALA A 10 -9.695 -3.389 -0.801 1.00 32.34 C ATOM 145 O ALA A 10 -9.911 -4.478 -1.345 1.00 53.03 O ATOM 146 CB ALA A 10 -8.099 -1.750 -1.856 1.00 1.20 C ATOM 0 H ALA A 10 -6.660 -3.751 -1.703 1.00 73.22 H new ATOM 0 HA ALA A 10 -8.150 -2.320 0.203 1.00 72.44 H new ATOM 0 HB1 ALA A 10 -8.862 -0.979 -1.749 1.00 1.20 H new ATOM 0 HB2 ALA A 10 -7.111 -1.298 -1.764 1.00 1.20 H new ATOM 0 HB3 ALA A 10 -8.193 -2.220 -2.835 1.00 1.20 H new ATOM 152 N ASP A 11 -10.638 -2.660 -0.198 1.00 11.43 N ATOM 153 CA ASP A 11 -12.024 -3.129 -0.007 1.00 23.20 C ATOM 154 C ASP A 11 -12.707 -3.412 -1.354 1.00 20.51 C ATOM 155 O ASP A 11 -13.360 -4.445 -1.530 1.00 24.35 O ATOM 156 CB ASP A 11 -12.808 -2.073 0.792 1.00 51.40 C ATOM 157 CG ASP A 11 -14.178 -2.542 1.244 1.00 22.42 C ATOM 158 OD1 ASP A 11 -14.257 -3.274 2.253 1.00 40.31 O ATOM 159 OD2 ASP A 11 -15.182 -2.151 0.621 1.00 2.31 O ATOM 0 H ASP A 11 -10.467 -1.726 0.174 1.00 11.43 H new ATOM 0 HA ASP A 11 -12.007 -4.066 0.549 1.00 23.20 H new ATOM 0 HB2 ASP A 11 -12.225 -1.786 1.667 1.00 51.40 H new ATOM 0 HB3 ASP A 11 -12.924 -1.179 0.179 1.00 51.40 H new ATOM 164 N ASP A 12 -12.491 -2.518 -2.308 1.00 45.24 N ATOM 165 CA ASP A 12 -12.937 -2.714 -3.673 1.00 4.10 C ATOM 166 C ASP A 12 -11.710 -2.604 -4.600 1.00 71.14 C ATOM 167 O ASP A 12 -10.578 -2.818 -4.162 1.00 4.44 O ATOM 168 CB ASP A 12 -14.005 -1.660 -4.022 1.00 65.43 C ATOM 169 CG ASP A 12 -15.084 -2.195 -4.941 1.00 72.12 C ATOM 170 OD1 ASP A 12 -14.858 -2.261 -6.162 1.00 24.42 O ATOM 171 OD2 ASP A 12 -16.164 -2.559 -4.438 1.00 41.21 O ATOM 0 H ASP A 12 -12.001 -1.637 -2.154 1.00 45.24 H new ATOM 0 HA ASP A 12 -13.390 -3.697 -3.799 1.00 4.10 H new ATOM 0 HB2 ASP A 12 -14.465 -1.298 -3.102 1.00 65.43 H new ATOM 0 HB3 ASP A 12 -13.523 -0.805 -4.495 1.00 65.43 H new ATOM 176 N PHE A 13 -11.941 -2.322 -5.875 1.00 25.43 N ATOM 177 CA PHE A 13 -10.873 -2.013 -6.817 1.00 21.35 C ATOM 178 C PHE A 13 -10.914 -0.518 -7.124 1.00 3.14 C ATOM 179 O PHE A 13 -11.890 0.162 -6.791 1.00 52.54 O ATOM 180 CB PHE A 13 -11.033 -2.796 -8.130 1.00 2.14 C ATOM 181 CG PHE A 13 -10.904 -4.296 -8.032 1.00 14.33 C ATOM 182 CD1 PHE A 13 -11.997 -5.091 -7.714 1.00 60.14 C ATOM 183 CD2 PHE A 13 -9.696 -4.911 -8.293 1.00 30.21 C ATOM 184 CE1 PHE A 13 -11.880 -6.465 -7.658 1.00 42.41 C ATOM 185 CE2 PHE A 13 -9.574 -6.288 -8.243 1.00 61.14 C ATOM 186 CZ PHE A 13 -10.665 -7.063 -7.921 1.00 44.11 C ATOM 0 H PHE A 13 -12.874 -2.301 -6.286 1.00 25.43 H new ATOM 0 HA PHE A 13 -9.922 -2.297 -6.367 1.00 21.35 H new ATOM 0 HB2 PHE A 13 -12.011 -2.563 -8.550 1.00 2.14 H new ATOM 0 HB3 PHE A 13 -10.287 -2.434 -8.838 1.00 2.14 H new ATOM 0 HD1 PHE A 13 -12.951 -4.628 -7.508 1.00 60.14 H new ATOM 0 HD2 PHE A 13 -8.834 -4.309 -8.540 1.00 30.21 H new ATOM 0 HE1 PHE A 13 -12.738 -7.071 -7.409 1.00 42.41 H new ATOM 0 HE2 PHE A 13 -8.624 -6.755 -8.456 1.00 61.14 H new ATOM 0 HZ PHE A 13 -10.570 -8.138 -7.874 1.00 44.11 H new ATOM 196 N ASP A 14 -9.871 -0.018 -7.769 1.00 40.03 N ATOM 197 CA ASP A 14 -9.841 1.358 -8.267 1.00 32.31 C ATOM 198 C ASP A 14 -10.657 1.449 -9.569 1.00 11.13 C ATOM 199 O ASP A 14 -11.097 0.424 -10.109 1.00 32.42 O ATOM 200 CB ASP A 14 -8.376 1.773 -8.514 1.00 25.51 C ATOM 201 CG ASP A 14 -8.167 3.270 -8.640 1.00 45.11 C ATOM 202 OD1 ASP A 14 -8.308 3.989 -7.632 1.00 74.54 O ATOM 203 OD2 ASP A 14 -7.888 3.730 -9.761 1.00 65.21 O ATOM 0 H ASP A 14 -9.022 -0.549 -7.964 1.00 40.03 H new ATOM 0 HA ASP A 14 -10.281 2.033 -7.533 1.00 32.31 H new ATOM 0 HB2 ASP A 14 -7.761 1.399 -7.695 1.00 25.51 H new ATOM 0 HB3 ASP A 14 -8.022 1.290 -9.425 1.00 25.51 H new ATOM 208 N GLU A 15 -10.846 2.664 -10.075 1.00 23.24 N ATOM 209 CA GLU A 15 -11.497 2.875 -11.366 1.00 1.14 C ATOM 210 C GLU A 15 -10.520 2.577 -12.516 1.00 41.32 C ATOM 211 O GLU A 15 -10.940 2.281 -13.636 1.00 53.20 O ATOM 212 CB GLU A 15 -12.055 4.295 -11.451 1.00 11.12 C ATOM 213 CG GLU A 15 -12.888 4.558 -12.694 1.00 51.40 C ATOM 214 CD GLU A 15 -13.445 5.955 -12.741 1.00 50.12 C ATOM 215 OE1 GLU A 15 -12.663 6.908 -12.920 1.00 54.41 O ATOM 216 OE2 GLU A 15 -14.670 6.115 -12.574 1.00 60.53 O ATOM 0 H GLU A 15 -10.556 3.523 -9.608 1.00 23.24 H new ATOM 0 HA GLU A 15 -12.334 2.183 -11.460 1.00 1.14 H new ATOM 0 HB2 GLU A 15 -12.666 4.488 -10.569 1.00 11.12 H new ATOM 0 HB3 GLU A 15 -11.226 5.002 -11.425 1.00 11.12 H new ATOM 0 HG2 GLU A 15 -12.275 4.387 -13.579 1.00 51.40 H new ATOM 0 HG3 GLU A 15 -13.710 3.843 -12.732 1.00 51.40 H new ATOM 223 N SER A 16 -9.213 2.596 -12.219 1.00 20.32 N ATOM 224 CA SER A 16 -8.204 2.103 -13.160 1.00 4.22 C ATOM 225 C SER A 16 -8.099 0.578 -13.069 1.00 62.20 C ATOM 226 O SER A 16 -7.392 -0.056 -13.857 1.00 34.22 O ATOM 227 CB SER A 16 -6.832 2.704 -12.875 1.00 50.43 C ATOM 228 OG SER A 16 -6.927 4.073 -12.519 1.00 70.21 O ATOM 0 H SER A 16 -8.834 2.946 -11.339 1.00 20.32 H new ATOM 0 HA SER A 16 -8.519 2.401 -14.160 1.00 4.22 H new ATOM 0 HB2 SER A 16 -6.352 2.150 -12.069 1.00 50.43 H new ATOM 0 HB3 SER A 16 -6.198 2.599 -13.755 1.00 50.43 H new ATOM 0 HG SER A 16 -7.247 4.150 -11.596 1.00 70.21 H new ATOM 234 N GLY A 17 -8.790 0.007 -12.083 1.00 21.03 N ATOM 235 CA GLY A 17 -8.919 -1.424 -11.978 1.00 71.22 C ATOM 236 C GLY A 17 -7.801 -2.061 -11.200 1.00 40.02 C ATOM 237 O GLY A 17 -7.213 -3.037 -11.659 1.00 63.10 O ATOM 0 H GLY A 17 -9.267 0.528 -11.347 1.00 21.03 H new ATOM 0 HA2 GLY A 17 -9.869 -1.663 -11.500 1.00 71.22 H new ATOM 0 HA3 GLY A 17 -8.949 -1.855 -12.979 1.00 71.22 H new ATOM 241 N TRP A 18 -7.484 -1.494 -10.038 1.00 31.54 N ATOM 242 CA TRP A 18 -6.403 -2.006 -9.204 1.00 23.02 C ATOM 243 C TRP A 18 -6.814 -2.023 -7.732 1.00 62.25 C ATOM 244 O TRP A 18 -7.141 -0.997 -7.151 1.00 73.35 O ATOM 245 CB TRP A 18 -5.120 -1.175 -9.413 1.00 63.25 C ATOM 246 CG TRP A 18 -4.519 -1.324 -10.789 1.00 24.40 C ATOM 247 CD1 TRP A 18 -4.654 -0.462 -11.842 1.00 4.02 C ATOM 248 CD2 TRP A 18 -3.717 -2.411 -11.268 1.00 21.34 C ATOM 249 NE1 TRP A 18 -3.978 -0.942 -12.936 1.00 14.41 N ATOM 250 CE2 TRP A 18 -3.397 -2.134 -12.608 1.00 1.22 C ATOM 251 CE3 TRP A 18 -3.235 -3.586 -10.697 1.00 64.23 C ATOM 252 CZ2 TRP A 18 -2.622 -2.990 -13.380 1.00 72.13 C ATOM 253 CZ3 TRP A 18 -2.461 -4.430 -11.462 1.00 31.13 C ATOM 254 CH2 TRP A 18 -2.162 -4.127 -12.789 1.00 64.10 C ATOM 0 H TRP A 18 -7.962 -0.679 -9.654 1.00 31.54 H new ATOM 0 HA TRP A 18 -6.194 -3.033 -9.503 1.00 23.02 H new ATOM 0 HB2 TRP A 18 -5.346 -0.123 -9.237 1.00 63.25 H new ATOM 0 HB3 TRP A 18 -4.380 -1.471 -8.669 1.00 63.25 H new ATOM 0 HD1 TRP A 18 -5.212 0.463 -11.817 1.00 4.02 H new ATOM 0 HE1 TRP A 18 -3.919 -0.484 -13.845 1.00 14.41 H new ATOM 0 HE3 TRP A 18 -3.464 -3.832 -9.671 1.00 64.23 H new ATOM 0 HZ2 TRP A 18 -2.393 -2.762 -14.411 1.00 72.13 H new ATOM 0 HZ3 TRP A 18 -2.079 -5.342 -11.026 1.00 31.13 H new ATOM 0 HH2 TRP A 18 -1.552 -4.810 -13.362 1.00 64.10 H new ATOM 265 N LYS A 19 -6.838 -3.220 -7.159 1.00 60.13 N ATOM 266 CA LYS A 19 -7.095 -3.423 -5.738 1.00 15.10 C ATOM 267 C LYS A 19 -5.787 -3.272 -4.995 1.00 65.31 C ATOM 268 O LYS A 19 -4.966 -4.182 -4.991 1.00 54.11 O ATOM 269 CB LYS A 19 -7.685 -4.818 -5.510 1.00 53.00 C ATOM 270 CG LYS A 19 -8.052 -5.141 -4.073 1.00 2.13 C ATOM 271 CD LYS A 19 -8.573 -6.566 -3.945 1.00 4.23 C ATOM 272 CE LYS A 19 -10.010 -6.713 -4.425 1.00 24.40 C ATOM 273 NZ LYS A 19 -10.980 -6.097 -3.483 1.00 11.02 N ATOM 0 H LYS A 19 -6.678 -4.086 -7.673 1.00 60.13 H new ATOM 0 HA LYS A 19 -7.813 -2.688 -5.373 1.00 15.10 H new ATOM 0 HB2 LYS A 19 -8.577 -4.922 -6.128 1.00 53.00 H new ATOM 0 HB3 LYS A 19 -6.967 -5.560 -5.860 1.00 53.00 H new ATOM 0 HG2 LYS A 19 -7.179 -5.012 -3.434 1.00 2.13 H new ATOM 0 HG3 LYS A 19 -8.810 -4.441 -3.722 1.00 2.13 H new ATOM 0 HD2 LYS A 19 -7.932 -7.235 -4.519 1.00 4.23 H new ATOM 0 HD3 LYS A 19 -8.509 -6.879 -2.903 1.00 4.23 H new ATOM 0 HE2 LYS A 19 -10.113 -6.249 -5.406 1.00 24.40 H new ATOM 0 HE3 LYS A 19 -10.245 -7.770 -4.546 1.00 24.40 H new ATOM 0 HZ1 LYS A 19 -11.528 -6.844 -3.011 1.00 11.02 H new ATOM 0 HZ2 LYS A 19 -10.466 -5.542 -2.769 1.00 11.02 H new ATOM 0 HZ3 LYS A 19 -11.625 -5.473 -4.008 1.00 11.02 H new ATOM 287 N ASP A 20 -5.602 -2.112 -4.399 1.00 21.14 N ATOM 288 CA ASP A 20 -4.316 -1.708 -3.843 1.00 74.32 C ATOM 289 C ASP A 20 -3.946 -2.535 -2.621 1.00 65.14 C ATOM 290 O ASP A 20 -4.721 -2.644 -1.672 1.00 42.30 O ATOM 291 CB ASP A 20 -4.380 -0.234 -3.469 1.00 74.53 C ATOM 292 CG ASP A 20 -4.825 0.645 -4.620 1.00 42.14 C ATOM 293 OD1 ASP A 20 -6.055 0.818 -4.783 1.00 12.43 O ATOM 294 OD2 ASP A 20 -3.961 1.178 -5.342 1.00 3.51 O ATOM 0 H ASP A 20 -6.339 -1.416 -4.283 1.00 21.14 H new ATOM 0 HA ASP A 20 -3.547 -1.875 -4.597 1.00 74.32 H new ATOM 0 HB2 ASP A 20 -5.067 -0.106 -2.633 1.00 74.53 H new ATOM 0 HB3 ASP A 20 -3.398 0.092 -3.127 1.00 74.53 H new ATOM 299 N THR A 21 -2.752 -3.103 -2.646 1.00 32.35 N ATOM 300 CA THR A 21 -2.308 -3.989 -1.588 1.00 54.23 C ATOM 301 C THR A 21 -1.053 -3.435 -0.932 1.00 63.12 C ATOM 302 O THR A 21 -0.144 -2.941 -1.612 1.00 32.43 O ATOM 303 CB THR A 21 -2.034 -5.437 -2.091 1.00 74.00 C ATOM 304 OG1 THR A 21 -0.962 -5.454 -3.024 1.00 53.24 O ATOM 305 CG2 THR A 21 -3.256 -6.047 -2.753 1.00 64.21 C ATOM 0 H THR A 21 -2.071 -2.964 -3.393 1.00 32.35 H new ATOM 0 HA THR A 21 -3.120 -4.042 -0.862 1.00 54.23 H new ATOM 0 HB THR A 21 -1.775 -6.027 -1.212 1.00 74.00 H new ATOM 0 HG1 THR A 21 -0.908 -6.337 -3.445 1.00 53.24 H new ATOM 0 HG21 THR A 21 -3.022 -7.057 -3.089 1.00 64.21 H new ATOM 0 HG22 THR A 21 -4.077 -6.084 -2.037 1.00 64.21 H new ATOM 0 HG23 THR A 21 -3.548 -5.438 -3.609 1.00 64.21 H new ATOM 313 N VAL A 22 -1.009 -3.516 0.387 1.00 75.24 N ATOM 314 CA VAL A 22 0.143 -3.057 1.144 1.00 54.03 C ATOM 315 C VAL A 22 0.761 -4.246 1.865 1.00 51.52 C ATOM 316 O VAL A 22 0.150 -4.856 2.750 1.00 62.10 O ATOM 317 CB VAL A 22 -0.215 -1.921 2.144 1.00 11.22 C ATOM 318 CG1 VAL A 22 1.011 -1.470 2.923 1.00 4.12 C ATOM 319 CG2 VAL A 22 -0.818 -0.728 1.412 1.00 63.03 C ATOM 0 H VAL A 22 -1.763 -3.898 0.959 1.00 75.24 H new ATOM 0 HA VAL A 22 0.864 -2.628 0.448 1.00 54.03 H new ATOM 0 HB VAL A 22 -0.949 -2.321 2.844 1.00 11.22 H new ATOM 0 HG11 VAL A 22 0.731 -0.675 3.614 1.00 4.12 H new ATOM 0 HG12 VAL A 22 1.416 -2.312 3.484 1.00 4.12 H new ATOM 0 HG13 VAL A 22 1.766 -1.099 2.230 1.00 4.12 H new ATOM 0 HG21 VAL A 22 -1.061 0.055 2.130 1.00 63.03 H new ATOM 0 HG22 VAL A 22 -0.100 -0.345 0.687 1.00 63.03 H new ATOM 0 HG23 VAL A 22 -1.725 -1.039 0.894 1.00 63.03 H new ATOM 329 N THR A 23 1.960 -4.585 1.430 1.00 22.23 N ATOM 330 CA THR A 23 2.673 -5.733 1.934 1.00 24.02 C ATOM 331 C THR A 23 3.732 -5.296 2.950 1.00 63.01 C ATOM 332 O THR A 23 4.673 -4.611 2.618 1.00 60.44 O ATOM 333 CB THR A 23 3.333 -6.497 0.768 1.00 4.54 C ATOM 334 OG1 THR A 23 2.368 -6.740 -0.270 1.00 75.43 O ATOM 335 CG2 THR A 23 3.915 -7.819 1.237 1.00 72.34 C ATOM 0 H THR A 23 2.466 -4.065 0.713 1.00 22.23 H new ATOM 0 HA THR A 23 1.966 -6.396 2.434 1.00 24.02 H new ATOM 0 HB THR A 23 4.144 -5.881 0.380 1.00 4.54 H new ATOM 0 HG1 THR A 23 2.795 -7.224 -1.007 1.00 75.43 H new ATOM 0 HG21 THR A 23 4.373 -8.335 0.393 1.00 72.34 H new ATOM 0 HG22 THR A 23 4.669 -7.634 2.002 1.00 72.34 H new ATOM 0 HG23 THR A 23 3.121 -8.439 1.653 1.00 72.34 H new ATOM 343 N ILE A 24 3.550 -5.693 4.190 1.00 65.34 N ATOM 344 CA ILE A 24 4.459 -5.335 5.262 1.00 71.13 C ATOM 345 C ILE A 24 5.418 -6.494 5.533 1.00 31.51 C ATOM 346 O ILE A 24 5.002 -7.566 5.956 1.00 25.42 O ATOM 347 CB ILE A 24 3.673 -4.987 6.555 1.00 3.13 C ATOM 348 CG1 ILE A 24 2.611 -3.905 6.269 1.00 43.44 C ATOM 349 CG2 ILE A 24 4.619 -4.544 7.674 1.00 70.32 C ATOM 350 CD1 ILE A 24 3.166 -2.536 5.919 1.00 21.12 C ATOM 0 H ILE A 24 2.766 -6.275 4.486 1.00 65.34 H new ATOM 0 HA ILE A 24 5.028 -4.456 4.957 1.00 71.13 H new ATOM 0 HB ILE A 24 3.161 -5.888 6.892 1.00 3.13 H new ATOM 0 HG12 ILE A 24 1.980 -4.245 5.448 1.00 43.44 H new ATOM 0 HG13 ILE A 24 1.969 -3.807 7.145 1.00 43.44 H new ATOM 0 HG21 ILE A 24 4.041 -4.307 8.567 1.00 70.32 H new ATOM 0 HG22 ILE A 24 5.319 -5.349 7.898 1.00 70.32 H new ATOM 0 HG23 ILE A 24 5.172 -3.661 7.355 1.00 70.32 H new ATOM 0 HD11 ILE A 24 2.343 -1.846 5.736 1.00 21.12 H new ATOM 0 HD12 ILE A 24 3.772 -2.167 6.746 1.00 21.12 H new ATOM 0 HD13 ILE A 24 3.783 -2.611 5.023 1.00 21.12 H new ATOM 362 N GLU A 25 6.694 -6.266 5.285 1.00 11.43 N ATOM 363 CA GLU A 25 7.712 -7.264 5.568 1.00 64.10 C ATOM 364 C GLU A 25 8.334 -6.993 6.930 1.00 35.32 C ATOM 365 O GLU A 25 8.891 -5.925 7.184 1.00 64.53 O ATOM 366 CB GLU A 25 8.782 -7.283 4.468 1.00 60.21 C ATOM 367 CG GLU A 25 9.984 -8.175 4.775 1.00 10.01 C ATOM 368 CD GLU A 25 11.003 -8.197 3.661 1.00 4.23 C ATOM 369 OE1 GLU A 25 10.641 -8.579 2.536 1.00 41.40 O ATOM 370 OE2 GLU A 25 12.180 -7.836 3.913 1.00 53.53 O ATOM 0 H GLU A 25 7.052 -5.398 4.888 1.00 11.43 H new ATOM 0 HA GLU A 25 7.244 -8.248 5.587 1.00 64.10 H new ATOM 0 HB2 GLU A 25 8.324 -7.618 3.538 1.00 60.21 H new ATOM 0 HB3 GLU A 25 9.133 -6.265 4.301 1.00 60.21 H new ATOM 0 HG2 GLU A 25 10.463 -7.828 5.691 1.00 10.01 H new ATOM 0 HG3 GLU A 25 9.637 -9.191 4.962 1.00 10.01 H new ATOM 377 N VAL A 26 8.197 -7.974 7.805 1.00 13.21 N ATOM 378 CA VAL A 26 8.715 -7.896 9.152 1.00 74.53 C ATOM 379 C VAL A 26 9.783 -8.970 9.348 1.00 45.51 C ATOM 380 O VAL A 26 9.602 -10.127 8.976 1.00 10.04 O ATOM 381 CB VAL A 26 7.555 -7.998 10.194 1.00 24.23 C ATOM 382 CG1 VAL A 26 8.033 -8.284 11.607 1.00 14.51 C ATOM 383 CG2 VAL A 26 6.769 -6.700 10.193 1.00 34.34 C ATOM 0 H VAL A 26 7.720 -8.851 7.596 1.00 13.21 H new ATOM 0 HA VAL A 26 9.188 -6.927 9.313 1.00 74.53 H new ATOM 0 HB VAL A 26 6.934 -8.841 9.891 1.00 24.23 H new ATOM 0 HG11 VAL A 26 7.175 -8.341 12.277 1.00 14.51 H new ATOM 0 HG12 VAL A 26 8.571 -9.232 11.624 1.00 14.51 H new ATOM 0 HG13 VAL A 26 8.697 -7.484 11.935 1.00 14.51 H new ATOM 0 HG21 VAL A 26 5.958 -6.765 10.918 1.00 34.34 H new ATOM 0 HG22 VAL A 26 7.429 -5.875 10.460 1.00 34.34 H new ATOM 0 HG23 VAL A 26 6.355 -6.526 9.200 1.00 34.34 H new ATOM 393 N LYS A 27 10.908 -8.550 9.893 1.00 12.15 N ATOM 394 CA LYS A 27 12.017 -9.425 10.186 1.00 34.32 C ATOM 395 C LYS A 27 12.567 -9.039 11.552 1.00 53.33 C ATOM 396 O LYS A 27 12.808 -7.854 11.804 1.00 75.33 O ATOM 397 CB LYS A 27 13.088 -9.290 9.102 1.00 52.52 C ATOM 398 CG LYS A 27 14.324 -10.144 9.312 1.00 43.31 C ATOM 399 CD LYS A 27 15.521 -9.582 8.572 1.00 52.03 C ATOM 400 CE LYS A 27 15.984 -8.282 9.207 1.00 45.42 C ATOM 401 NZ LYS A 27 17.123 -7.673 8.493 1.00 1.10 N ATOM 0 H LYS A 27 11.076 -7.576 10.147 1.00 12.15 H new ATOM 0 HA LYS A 27 11.696 -10.466 10.202 1.00 34.32 H new ATOM 0 HB2 LYS A 27 12.645 -9.549 8.140 1.00 52.52 H new ATOM 0 HB3 LYS A 27 13.393 -8.245 9.042 1.00 52.52 H new ATOM 0 HG2 LYS A 27 14.549 -10.204 10.377 1.00 43.31 H new ATOM 0 HG3 LYS A 27 14.128 -11.160 8.970 1.00 43.31 H new ATOM 0 HD2 LYS A 27 16.335 -10.307 8.583 1.00 52.03 H new ATOM 0 HD3 LYS A 27 15.261 -9.410 7.528 1.00 52.03 H new ATOM 0 HE2 LYS A 27 15.154 -7.576 9.227 1.00 45.42 H new ATOM 0 HE3 LYS A 27 16.268 -8.469 10.243 1.00 45.42 H new ATOM 0 HZ1 LYS A 27 17.398 -6.790 8.968 1.00 1.10 H new ATOM 0 HZ2 LYS A 27 17.927 -8.333 8.496 1.00 1.10 H new ATOM 0 HZ3 LYS A 27 16.847 -7.467 7.512 1.00 1.10 H new ATOM 415 N ASN A 28 12.716 -10.048 12.426 1.00 71.54 N ATOM 416 CA ASN A 28 13.184 -9.880 13.817 1.00 3.52 C ATOM 417 C ASN A 28 12.195 -9.056 14.651 1.00 12.41 C ATOM 418 O ASN A 28 12.594 -8.234 15.485 1.00 0.12 O ATOM 419 CB ASN A 28 14.601 -9.270 13.870 1.00 10.04 C ATOM 420 CG ASN A 28 15.665 -10.189 13.293 1.00 64.04 C ATOM 421 OD1 ASN A 28 15.533 -11.412 13.328 1.00 12.35 O ATOM 422 ND2 ASN A 28 16.722 -9.610 12.751 1.00 12.45 N ATOM 0 H ASN A 28 12.513 -11.018 12.185 1.00 71.54 H new ATOM 0 HA ASN A 28 13.237 -10.875 14.259 1.00 3.52 H new ATOM 0 HB2 ASN A 28 14.606 -8.328 13.321 1.00 10.04 H new ATOM 0 HB3 ASN A 28 14.852 -9.037 14.905 1.00 10.04 H new ATOM 0 HD21 ASN A 28 17.463 -10.180 12.343 1.00 12.45 H new ATOM 0 HD22 ASN A 28 16.797 -8.593 12.740 1.00 12.45 H new ATOM 429 N GLY A 29 10.897 -9.289 14.410 1.00 41.20 N ATOM 430 CA GLY A 29 9.838 -8.640 15.177 1.00 42.24 C ATOM 431 C GLY A 29 9.477 -7.223 14.735 1.00 43.41 C ATOM 432 O GLY A 29 8.474 -6.680 15.193 1.00 74.02 O ATOM 0 H GLY A 29 10.560 -9.925 13.687 1.00 41.20 H new ATOM 0 HA2 GLY A 29 8.942 -9.258 15.121 1.00 42.24 H new ATOM 0 HA3 GLY A 29 10.139 -8.609 16.224 1.00 42.24 H new ATOM 436 N LYS A 30 10.268 -6.628 13.849 1.00 40.32 N ATOM 437 CA LYS A 30 10.056 -5.237 13.438 1.00 3.21 C ATOM 438 C LYS A 30 10.013 -5.098 11.921 1.00 50.34 C ATOM 439 O LYS A 30 10.526 -5.957 11.206 1.00 1.13 O ATOM 440 CB LYS A 30 11.144 -4.340 14.040 1.00 62.20 C ATOM 441 CG LYS A 30 12.557 -4.886 13.884 1.00 35.30 C ATOM 442 CD LYS A 30 13.568 -4.021 14.607 1.00 74.23 C ATOM 443 CE LYS A 30 14.840 -4.796 14.905 1.00 45.21 C ATOM 444 NZ LYS A 30 14.600 -5.884 15.893 1.00 1.35 N ATOM 0 H LYS A 30 11.062 -7.083 13.399 1.00 40.32 H new ATOM 0 HA LYS A 30 9.085 -4.917 13.817 1.00 3.21 H new ATOM 0 HB2 LYS A 30 11.092 -3.358 13.570 1.00 62.20 H new ATOM 0 HB3 LYS A 30 10.936 -4.197 15.100 1.00 62.20 H new ATOM 0 HG2 LYS A 30 12.601 -5.903 14.275 1.00 35.30 H new ATOM 0 HG3 LYS A 30 12.813 -4.940 12.826 1.00 35.30 H new ATOM 0 HD2 LYS A 30 13.805 -3.148 13.999 1.00 74.23 H new ATOM 0 HD3 LYS A 30 13.136 -3.653 15.538 1.00 74.23 H new ATOM 0 HE2 LYS A 30 15.232 -5.222 13.982 1.00 45.21 H new ATOM 0 HE3 LYS A 30 15.600 -4.116 15.290 1.00 45.21 H new ATOM 0 HZ1 LYS A 30 15.507 -6.188 16.301 1.00 1.35 H new ATOM 0 HZ2 LYS A 30 13.979 -5.534 16.650 1.00 1.35 H new ATOM 0 HZ3 LYS A 30 14.146 -6.690 15.418 1.00 1.35 H new ATOM 458 N ILE A 31 9.391 -4.013 11.437 1.00 71.25 N ATOM 459 CA ILE A 31 9.245 -3.770 9.999 1.00 44.34 C ATOM 460 C ILE A 31 10.606 -3.446 9.381 1.00 64.54 C ATOM 461 O ILE A 31 11.318 -2.563 9.838 1.00 23.32 O ATOM 462 CB ILE A 31 8.244 -2.615 9.697 1.00 73.41 C ATOM 463 CG1 ILE A 31 6.896 -2.867 10.398 1.00 54.44 C ATOM 464 CG2 ILE A 31 8.038 -2.460 8.189 1.00 14.14 C ATOM 465 CD1 ILE A 31 5.871 -1.759 10.218 1.00 71.32 C ATOM 0 H ILE A 31 8.980 -3.288 12.026 1.00 71.25 H new ATOM 0 HA ILE A 31 8.843 -4.681 9.556 1.00 44.34 H new ATOM 0 HB ILE A 31 8.667 -1.689 10.085 1.00 73.41 H new ATOM 0 HG12 ILE A 31 6.474 -3.799 10.021 1.00 54.44 H new ATOM 0 HG13 ILE A 31 7.076 -3.007 11.464 1.00 54.44 H new ATOM 0 HG21 ILE A 31 7.336 -1.648 7.999 1.00 14.14 H new ATOM 0 HG22 ILE A 31 8.992 -2.233 7.713 1.00 14.14 H new ATOM 0 HG23 ILE A 31 7.639 -3.388 7.779 1.00 14.14 H new ATOM 0 HD11 ILE A 31 4.954 -2.022 10.745 1.00 71.32 H new ATOM 0 HD12 ILE A 31 6.267 -0.828 10.622 1.00 71.32 H new ATOM 0 HD13 ILE A 31 5.656 -1.631 9.157 1.00 71.32 H new ATOM 477 N VAL A 32 10.977 -4.196 8.369 1.00 63.44 N ATOM 478 CA VAL A 32 12.246 -3.976 7.704 1.00 3.33 C ATOM 479 C VAL A 32 12.041 -3.534 6.258 1.00 53.21 C ATOM 480 O VAL A 32 12.936 -2.937 5.653 1.00 61.14 O ATOM 481 CB VAL A 32 13.148 -5.234 7.774 1.00 40.31 C ATOM 482 CG1 VAL A 32 13.534 -5.531 9.213 1.00 71.12 C ATOM 483 CG2 VAL A 32 12.474 -6.446 7.146 1.00 54.45 C ATOM 0 H VAL A 32 10.422 -4.962 7.987 1.00 63.44 H new ATOM 0 HA VAL A 32 12.757 -3.172 8.234 1.00 3.33 H new ATOM 0 HB VAL A 32 14.051 -5.023 7.201 1.00 40.31 H new ATOM 0 HG11 VAL A 32 14.167 -6.418 9.244 1.00 71.12 H new ATOM 0 HG12 VAL A 32 14.078 -4.682 9.627 1.00 71.12 H new ATOM 0 HG13 VAL A 32 12.634 -5.707 9.802 1.00 71.12 H new ATOM 0 HG21 VAL A 32 13.138 -7.308 7.215 1.00 54.45 H new ATOM 0 HG22 VAL A 32 11.545 -6.660 7.675 1.00 54.45 H new ATOM 0 HG23 VAL A 32 12.256 -6.239 6.098 1.00 54.45 H new ATOM 493 N SER A 33 10.849 -3.813 5.718 1.00 23.01 N ATOM 494 CA SER A 33 10.521 -3.495 4.335 1.00 75.12 C ATOM 495 C SER A 33 9.014 -3.325 4.187 1.00 33.54 C ATOM 496 O SER A 33 8.240 -3.743 5.047 1.00 35.25 O ATOM 497 CB SER A 33 10.970 -4.600 3.364 1.00 42.40 C ATOM 498 OG SER A 33 12.350 -4.899 3.463 1.00 22.23 O ATOM 0 H SER A 33 10.091 -4.264 6.230 1.00 23.01 H new ATOM 0 HA SER A 33 11.048 -2.573 4.088 1.00 75.12 H new ATOM 0 HB2 SER A 33 10.393 -5.504 3.560 1.00 42.40 H new ATOM 0 HB3 SER A 33 10.743 -4.293 2.343 1.00 42.40 H new ATOM 0 HG SER A 33 12.467 -5.862 3.602 1.00 22.23 H new ATOM 504 N VAL A 34 8.617 -2.710 3.090 1.00 61.52 N ATOM 505 CA VAL A 34 7.217 -2.593 2.711 1.00 30.53 C ATOM 506 C VAL A 34 7.095 -2.516 1.176 1.00 40.41 C ATOM 507 O VAL A 34 7.824 -1.790 0.494 1.00 62.45 O ATOM 508 CB VAL A 34 6.505 -1.405 3.442 1.00 11.13 C ATOM 509 CG1 VAL A 34 7.268 -0.124 3.265 1.00 42.43 C ATOM 510 CG2 VAL A 34 5.064 -1.220 2.985 1.00 5.24 C ATOM 0 H VAL A 34 9.260 -2.273 2.430 1.00 61.52 H new ATOM 0 HA VAL A 34 6.690 -3.488 3.041 1.00 30.53 H new ATOM 0 HB VAL A 34 6.485 -1.664 4.501 1.00 11.13 H new ATOM 0 HG11 VAL A 34 6.750 0.683 3.783 1.00 42.43 H new ATOM 0 HG12 VAL A 34 8.270 -0.237 3.679 1.00 42.43 H new ATOM 0 HG13 VAL A 34 7.339 0.113 2.204 1.00 42.43 H new ATOM 0 HG21 VAL A 34 4.616 -0.384 3.522 1.00 5.24 H new ATOM 0 HG22 VAL A 34 5.045 -1.015 1.915 1.00 5.24 H new ATOM 0 HG23 VAL A 34 4.498 -2.128 3.191 1.00 5.24 H new ATOM 520 N ASP A 35 6.188 -3.316 0.671 1.00 52.22 N ATOM 521 CA ASP A 35 5.991 -3.540 -0.747 1.00 24.34 C ATOM 522 C ASP A 35 4.686 -2.896 -1.205 1.00 33.25 C ATOM 523 O ASP A 35 3.651 -3.016 -0.543 1.00 75.12 O ATOM 524 CB ASP A 35 5.980 -5.058 -1.006 1.00 52.31 C ATOM 525 CG ASP A 35 5.649 -5.446 -2.436 1.00 72.14 C ATOM 526 OD1 ASP A 35 6.564 -5.442 -3.280 1.00 24.35 O ATOM 527 OD2 ASP A 35 4.476 -5.765 -2.717 1.00 74.14 O ATOM 0 H ASP A 35 5.542 -3.849 1.253 1.00 52.22 H new ATOM 0 HA ASP A 35 6.801 -3.084 -1.316 1.00 24.34 H new ATOM 0 HB2 ASP A 35 6.958 -5.466 -0.748 1.00 52.31 H new ATOM 0 HB3 ASP A 35 5.255 -5.523 -0.339 1.00 52.31 H new ATOM 532 N TRP A 36 4.757 -2.200 -2.325 1.00 22.23 N ATOM 533 CA TRP A 36 3.591 -1.573 -2.923 1.00 42.50 C ATOM 534 C TRP A 36 3.162 -2.330 -4.177 1.00 30.42 C ATOM 535 O TRP A 36 3.921 -2.459 -5.139 1.00 55.31 O ATOM 536 CB TRP A 36 3.839 -0.075 -3.225 1.00 71.51 C ATOM 537 CG TRP A 36 5.286 0.326 -3.376 1.00 74.33 C ATOM 538 CD1 TRP A 36 6.100 0.788 -2.385 1.00 64.13 C ATOM 539 CD2 TRP A 36 6.087 0.314 -4.570 1.00 42.53 C ATOM 540 NE1 TRP A 36 7.353 1.038 -2.879 1.00 12.12 N ATOM 541 CE2 TRP A 36 7.372 0.761 -4.213 1.00 23.32 C ATOM 542 CE3 TRP A 36 5.850 -0.036 -5.902 1.00 40.41 C ATOM 543 CZ2 TRP A 36 8.411 0.861 -5.132 1.00 4.50 C ATOM 544 CZ3 TRP A 36 6.882 0.065 -6.812 1.00 11.01 C ATOM 545 CH2 TRP A 36 8.146 0.511 -6.425 1.00 4.23 C ATOM 0 H TRP A 36 5.622 -2.053 -2.845 1.00 22.23 H new ATOM 0 HA TRP A 36 2.777 -1.621 -2.200 1.00 42.50 H new ATOM 0 HB2 TRP A 36 3.310 0.185 -4.142 1.00 71.51 H new ATOM 0 HB3 TRP A 36 3.398 0.517 -2.423 1.00 71.51 H new ATOM 0 HD1 TRP A 36 5.800 0.936 -1.358 1.00 64.13 H new ATOM 0 HE1 TRP A 36 8.146 1.378 -2.335 1.00 12.12 H new ATOM 0 HE3 TRP A 36 4.875 -0.380 -6.214 1.00 40.41 H new ATOM 0 HZ2 TRP A 36 9.391 1.203 -4.834 1.00 4.50 H new ATOM 0 HZ3 TRP A 36 6.708 -0.206 -7.843 1.00 11.01 H new ATOM 0 HH2 TRP A 36 8.931 0.581 -7.163 1.00 4.23 H new ATOM 556 N ASN A 37 1.944 -2.848 -4.141 1.00 12.15 N ATOM 557 CA ASN A 37 1.421 -3.694 -5.209 1.00 21.12 C ATOM 558 C ASN A 37 -0.085 -3.425 -5.359 1.00 44.34 C ATOM 559 O ASN A 37 -0.641 -2.620 -4.607 1.00 74.44 O ATOM 560 CB ASN A 37 1.695 -5.173 -4.848 1.00 32.23 C ATOM 561 CG ASN A 37 1.895 -6.104 -6.040 1.00 40.40 C ATOM 562 OD1 ASN A 37 1.390 -5.880 -7.129 1.00 13.45 O ATOM 563 ND2 ASN A 37 2.637 -7.171 -5.833 1.00 34.34 N ATOM 0 H ASN A 37 1.290 -2.696 -3.374 1.00 12.15 H new ATOM 0 HA ASN A 37 1.907 -3.473 -6.159 1.00 21.12 H new ATOM 0 HB2 ASN A 37 2.584 -5.218 -4.218 1.00 32.23 H new ATOM 0 HB3 ASN A 37 0.862 -5.546 -4.252 1.00 32.23 H new ATOM 0 HD21 ASN A 37 2.801 -7.833 -6.591 1.00 34.34 H new ATOM 0 HD22 ASN A 37 3.048 -7.336 -4.914 1.00 34.34 H new ATOM 570 N ALA A 38 -0.727 -4.070 -6.336 1.00 53.40 N ATOM 571 CA ALA A 38 -2.179 -4.008 -6.533 1.00 34.30 C ATOM 572 C ALA A 38 -2.633 -5.203 -7.376 1.00 52.20 C ATOM 573 O ALA A 38 -1.824 -5.796 -8.056 1.00 71.14 O ATOM 574 CB ALA A 38 -2.573 -2.701 -7.210 1.00 50.30 C ATOM 0 H ALA A 38 -0.249 -4.656 -7.020 1.00 53.40 H new ATOM 0 HA ALA A 38 -2.670 -4.048 -5.561 1.00 34.30 H new ATOM 0 HB1 ALA A 38 -3.654 -2.674 -7.347 1.00 50.30 H new ATOM 0 HB2 ALA A 38 -2.265 -1.861 -6.587 1.00 50.30 H new ATOM 0 HB3 ALA A 38 -2.082 -2.632 -8.181 1.00 50.30 H new ATOM 580 N ILE A 39 -3.912 -5.572 -7.323 1.00 5.24 N ATOM 581 CA ILE A 39 -4.422 -6.699 -8.124 1.00 32.21 C ATOM 582 C ILE A 39 -5.400 -6.180 -9.191 1.00 11.02 C ATOM 583 O ILE A 39 -6.226 -5.328 -8.904 1.00 65.12 O ATOM 584 CB ILE A 39 -5.133 -7.780 -7.253 1.00 22.13 C ATOM 585 CG1 ILE A 39 -4.397 -8.002 -5.917 1.00 44.50 C ATOM 586 CG2 ILE A 39 -5.192 -9.096 -8.030 1.00 52.41 C ATOM 587 CD1 ILE A 39 -5.164 -8.854 -4.922 1.00 74.44 C ATOM 0 H ILE A 39 -4.614 -5.115 -6.741 1.00 5.24 H new ATOM 0 HA ILE A 39 -3.560 -7.172 -8.595 1.00 32.21 H new ATOM 0 HB ILE A 39 -6.140 -7.429 -7.028 1.00 22.13 H new ATOM 0 HG12 ILE A 39 -3.435 -8.474 -6.118 1.00 44.50 H new ATOM 0 HG13 ILE A 39 -4.188 -7.033 -5.464 1.00 44.50 H new ATOM 0 HG21 ILE A 39 -5.688 -9.854 -7.424 1.00 52.41 H new ATOM 0 HG22 ILE A 39 -5.750 -8.948 -8.955 1.00 52.41 H new ATOM 0 HG23 ILE A 39 -4.180 -9.425 -8.266 1.00 52.41 H new ATOM 0 HD11 ILE A 39 -4.579 -8.963 -4.009 1.00 74.44 H new ATOM 0 HD12 ILE A 39 -6.115 -8.374 -4.689 1.00 74.44 H new ATOM 0 HD13 ILE A 39 -5.350 -9.838 -5.353 1.00 74.44 H new ATOM 599 N ASN A 40 -5.308 -6.701 -10.411 1.00 61.23 N ATOM 600 CA ASN A 40 -6.066 -6.165 -11.550 1.00 3.24 C ATOM 601 C ASN A 40 -7.539 -6.623 -11.560 1.00 72.21 C ATOM 602 O ASN A 40 -7.843 -7.795 -11.338 1.00 52.21 O ATOM 603 CB ASN A 40 -5.360 -6.559 -12.850 1.00 44.03 C ATOM 604 CG ASN A 40 -5.947 -5.909 -14.082 1.00 2.30 C ATOM 605 OD1 ASN A 40 -6.762 -6.501 -14.774 1.00 33.13 O ATOM 606 ND2 ASN A 40 -5.547 -4.679 -14.349 1.00 21.41 N ATOM 0 H ASN A 40 -4.715 -7.498 -10.642 1.00 61.23 H new ATOM 0 HA ASN A 40 -6.092 -5.079 -11.455 1.00 3.24 H new ATOM 0 HB2 ASN A 40 -4.306 -6.291 -12.776 1.00 44.03 H new ATOM 0 HB3 ASN A 40 -5.406 -7.642 -12.964 1.00 44.03 H new ATOM 0 HD21 ASN A 40 -5.921 -4.186 -15.160 1.00 21.41 H new ATOM 0 HD22 ASN A 40 -4.864 -4.222 -13.744 1.00 21.41 H new ATOM 613 N LYS A 41 -8.423 -5.657 -11.856 1.00 4.12 N ATOM 614 CA LYS A 41 -9.886 -5.823 -11.837 1.00 73.00 C ATOM 615 C LYS A 41 -10.405 -6.584 -13.052 1.00 64.44 C ATOM 616 O LYS A 41 -11.338 -7.375 -12.934 1.00 75.15 O ATOM 617 CB LYS A 41 -10.539 -4.434 -11.799 1.00 40.22 C ATOM 618 CG LYS A 41 -12.051 -4.417 -11.631 1.00 61.04 C ATOM 619 CD LYS A 41 -12.596 -3.004 -11.744 1.00 15.24 C ATOM 620 CE LYS A 41 -14.095 -2.947 -11.478 1.00 12.22 C ATOM 621 NZ LYS A 41 -14.878 -3.721 -12.478 1.00 54.41 N ATOM 0 H LYS A 41 -8.134 -4.716 -12.122 1.00 4.12 H new ATOM 0 HA LYS A 41 -10.143 -6.407 -10.953 1.00 73.00 H new ATOM 0 HB2 LYS A 41 -10.095 -3.867 -10.981 1.00 40.22 H new ATOM 0 HB3 LYS A 41 -10.289 -3.911 -12.722 1.00 40.22 H new ATOM 0 HG2 LYS A 41 -12.512 -5.050 -12.389 1.00 61.04 H new ATOM 0 HG3 LYS A 41 -12.317 -4.837 -10.661 1.00 61.04 H new ATOM 0 HD2 LYS A 41 -12.077 -2.358 -11.036 1.00 15.24 H new ATOM 0 HD3 LYS A 41 -12.390 -2.615 -12.741 1.00 15.24 H new ATOM 0 HE2 LYS A 41 -14.299 -3.336 -10.481 1.00 12.22 H new ATOM 0 HE3 LYS A 41 -14.424 -1.908 -11.488 1.00 12.22 H new ATOM 0 HZ1 LYS A 41 -15.894 -3.569 -12.316 1.00 54.41 H new ATOM 0 HZ2 LYS A 41 -14.629 -3.402 -13.436 1.00 54.41 H new ATOM 0 HZ3 LYS A 41 -14.659 -4.733 -12.382 1.00 54.41 H new ATOM 635 N ASP A 42 -9.781 -6.346 -14.210 1.00 62.24 N ATOM 636 CA ASP A 42 -10.251 -6.890 -15.493 1.00 43.24 C ATOM 637 C ASP A 42 -10.154 -8.418 -15.518 1.00 44.54 C ATOM 638 O ASP A 42 -11.001 -9.101 -16.094 1.00 55.15 O ATOM 639 CB ASP A 42 -9.438 -6.279 -16.638 1.00 10.22 C ATOM 640 CG ASP A 42 -10.007 -6.588 -18.007 1.00 52.53 C ATOM 641 OD1 ASP A 42 -11.016 -5.963 -18.384 1.00 15.43 O ATOM 642 OD2 ASP A 42 -9.443 -7.450 -18.708 1.00 52.31 O ATOM 0 H ASP A 42 -8.940 -5.774 -14.287 1.00 62.24 H new ATOM 0 HA ASP A 42 -11.301 -6.627 -15.618 1.00 43.24 H new ATOM 0 HB2 ASP A 42 -9.393 -5.198 -16.506 1.00 10.22 H new ATOM 0 HB3 ASP A 42 -8.414 -6.649 -16.586 1.00 10.22 H new ATOM 647 N GLY A 43 -9.141 -8.930 -14.846 1.00 62.33 N ATOM 648 CA GLY A 43 -8.934 -10.350 -14.755 1.00 55.50 C ATOM 649 C GLY A 43 -7.491 -10.690 -14.987 1.00 65.43 C ATOM 650 O GLY A 43 -7.177 -11.660 -15.672 1.00 63.24 O ATOM 0 H GLY A 43 -8.445 -8.371 -14.352 1.00 62.33 H new ATOM 0 HA2 GLY A 43 -9.243 -10.706 -13.772 1.00 55.50 H new ATOM 0 HA3 GLY A 43 -9.556 -10.861 -15.489 1.00 55.50 H new ATOM 654 N GLY A 44 -6.616 -9.873 -14.416 1.00 40.25 N ATOM 655 CA GLY A 44 -5.199 -10.052 -14.598 1.00 35.51 C ATOM 656 C GLY A 44 -4.514 -10.457 -13.319 1.00 22.23 C ATOM 657 O GLY A 44 -5.150 -10.945 -12.381 1.00 23.40 O ATOM 0 H GLY A 44 -6.872 -9.082 -13.824 1.00 40.25 H new ATOM 0 HA2 GLY A 44 -5.024 -10.812 -15.360 1.00 35.51 H new ATOM 0 HA3 GLY A 44 -4.761 -9.125 -14.967 1.00 35.51 H new ATOM 661 N ASP A 45 -3.215 -10.238 -13.289 1.00 20.41 N ATOM 662 CA ASP A 45 -2.385 -10.596 -12.147 1.00 41.22 C ATOM 663 C ASP A 45 -2.120 -9.366 -11.276 1.00 64.02 C ATOM 664 O ASP A 45 -2.921 -8.426 -11.249 1.00 1.13 O ATOM 665 CB ASP A 45 -1.064 -11.199 -12.643 1.00 11.54 C ATOM 666 CG ASP A 45 -1.242 -12.525 -13.345 1.00 11.45 C ATOM 667 OD1 ASP A 45 -1.483 -12.529 -14.569 1.00 5.14 O ATOM 668 OD2 ASP A 45 -1.132 -13.571 -12.681 1.00 15.34 O ATOM 0 H ASP A 45 -2.700 -9.806 -14.056 1.00 20.41 H new ATOM 0 HA ASP A 45 -2.908 -11.336 -11.541 1.00 41.22 H new ATOM 0 HB2 ASP A 45 -0.584 -10.496 -13.324 1.00 11.54 H new ATOM 0 HB3 ASP A 45 -0.391 -11.331 -11.795 1.00 11.54 H new ATOM 673 N ASP A 46 -0.992 -9.380 -10.567 1.00 55.32 N ATOM 674 CA ASP A 46 -0.582 -8.266 -9.711 1.00 10.11 C ATOM 675 C ASP A 46 0.023 -7.140 -10.541 1.00 51.34 C ATOM 676 O ASP A 46 0.230 -7.286 -11.735 1.00 34.04 O ATOM 677 CB ASP A 46 0.460 -8.730 -8.690 1.00 2.15 C ATOM 678 CG ASP A 46 0.010 -9.914 -7.870 1.00 42.05 C ATOM 679 OD1 ASP A 46 0.245 -11.059 -8.313 1.00 54.52 O ATOM 680 OD2 ASP A 46 -0.572 -9.714 -6.791 1.00 22.52 O ATOM 0 H ASP A 46 -0.337 -10.162 -10.569 1.00 55.32 H new ATOM 0 HA ASP A 46 -1.471 -7.903 -9.195 1.00 10.11 H new ATOM 0 HB2 ASP A 46 1.380 -8.989 -9.213 1.00 2.15 H new ATOM 0 HB3 ASP A 46 0.696 -7.903 -8.021 1.00 2.15 H new ATOM 685 N LYS A 47 0.289 -6.016 -9.888 1.00 53.13 N ATOM 686 CA LYS A 47 0.999 -4.883 -10.481 1.00 71.35 C ATOM 687 C LYS A 47 2.415 -5.305 -10.886 1.00 21.30 C ATOM 688 O LYS A 47 2.860 -4.992 -11.984 1.00 62.42 O ATOM 689 CB LYS A 47 1.037 -3.722 -9.471 1.00 44.22 C ATOM 690 CG LYS A 47 1.693 -2.436 -9.974 1.00 21.03 C ATOM 691 CD LYS A 47 0.785 -1.642 -10.901 1.00 54.33 C ATOM 692 CE LYS A 47 -0.286 -0.875 -10.137 1.00 23.14 C ATOM 693 NZ LYS A 47 -1.120 -0.052 -11.052 1.00 23.23 N ATOM 0 H LYS A 47 0.015 -5.861 -8.918 1.00 53.13 H new ATOM 0 HA LYS A 47 0.477 -4.550 -11.378 1.00 71.35 H new ATOM 0 HB2 LYS A 47 0.015 -3.494 -9.167 1.00 44.22 H new ATOM 0 HB3 LYS A 47 1.568 -4.056 -8.579 1.00 44.22 H new ATOM 0 HG2 LYS A 47 1.969 -1.815 -9.121 1.00 21.03 H new ATOM 0 HG3 LYS A 47 2.615 -2.684 -10.499 1.00 21.03 H new ATOM 0 HD2 LYS A 47 1.385 -0.943 -11.483 1.00 54.33 H new ATOM 0 HD3 LYS A 47 0.309 -2.320 -11.609 1.00 54.33 H new ATOM 0 HE2 LYS A 47 -0.921 -1.576 -9.595 1.00 23.14 H new ATOM 0 HE3 LYS A 47 0.185 -0.232 -9.394 1.00 23.14 H new ATOM 0 HZ1 LYS A 47 -1.649 0.653 -10.500 1.00 23.23 H new ATOM 0 HZ2 LYS A 47 -0.507 0.434 -11.738 1.00 23.23 H new ATOM 0 HZ3 LYS A 47 -1.788 -0.666 -11.560 1.00 23.23 H new ATOM 707 N ASP A 48 3.069 -6.068 -10.001 1.00 23.02 N ATOM 708 CA ASP A 48 4.398 -6.631 -10.258 1.00 65.51 C ATOM 709 C ASP A 48 4.355 -7.693 -11.369 1.00 62.31 C ATOM 710 O ASP A 48 5.155 -7.653 -12.304 1.00 10.20 O ATOM 711 CB ASP A 48 4.961 -7.248 -8.963 1.00 14.21 C ATOM 712 CG ASP A 48 6.322 -7.888 -9.155 1.00 53.11 C ATOM 713 OD1 ASP A 48 7.296 -7.152 -9.397 1.00 44.44 O ATOM 714 OD2 ASP A 48 6.411 -9.134 -9.102 1.00 63.43 O ATOM 0 H ASP A 48 2.690 -6.312 -9.086 1.00 23.02 H new ATOM 0 HA ASP A 48 5.048 -5.823 -10.593 1.00 65.51 H new ATOM 0 HB2 ASP A 48 5.034 -6.473 -8.200 1.00 14.21 H new ATOM 0 HB3 ASP A 48 4.263 -7.997 -8.590 1.00 14.21 H new ATOM 719 N THR A 49 3.399 -8.619 -11.267 1.00 1.13 N ATOM 720 CA THR A 49 3.318 -9.770 -12.169 1.00 22.24 C ATOM 721 C THR A 49 2.893 -9.361 -13.593 1.00 70.25 C ATOM 722 O THR A 49 3.395 -9.912 -14.570 1.00 55.20 O ATOM 723 CB THR A 49 2.348 -10.826 -11.600 1.00 33.01 C ATOM 724 OG1 THR A 49 2.570 -10.954 -10.187 1.00 54.13 O ATOM 725 CG2 THR A 49 2.562 -12.187 -12.257 1.00 1.45 C ATOM 0 H THR A 49 2.663 -8.593 -10.561 1.00 1.13 H new ATOM 0 HA THR A 49 4.317 -10.201 -12.241 1.00 22.24 H new ATOM 0 HB THR A 49 1.328 -10.499 -11.804 1.00 33.01 H new ATOM 0 HG1 THR A 49 1.710 -11.052 -9.728 1.00 54.13 H new ATOM 0 HG21 THR A 49 1.863 -12.909 -11.834 1.00 1.45 H new ATOM 0 HG22 THR A 49 2.392 -12.104 -13.330 1.00 1.45 H new ATOM 0 HG23 THR A 49 3.583 -12.522 -12.076 1.00 1.45 H new ATOM 733 N LEU A 50 1.994 -8.379 -13.700 1.00 21.21 N ATOM 734 CA LEU A 50 1.562 -7.856 -15.000 1.00 4.32 C ATOM 735 C LEU A 50 2.643 -7.039 -15.695 1.00 24.41 C ATOM 736 O LEU A 50 2.709 -7.044 -16.914 1.00 33.41 O ATOM 737 CB LEU A 50 0.259 -7.056 -14.906 1.00 75.12 C ATOM 738 CG LEU A 50 -1.003 -7.909 -14.760 1.00 50.05 C ATOM 739 CD1 LEU A 50 -2.237 -7.038 -14.767 1.00 21.10 C ATOM 740 CD2 LEU A 50 -1.092 -8.950 -15.867 1.00 34.51 C ATOM 0 H LEU A 50 1.550 -7.929 -12.900 1.00 21.21 H new ATOM 0 HA LEU A 50 1.369 -8.735 -15.615 1.00 4.32 H new ATOM 0 HB2 LEU A 50 0.324 -6.379 -14.054 1.00 75.12 H new ATOM 0 HB3 LEU A 50 0.162 -6.438 -15.798 1.00 75.12 H new ATOM 0 HG LEU A 50 -0.944 -8.429 -13.804 1.00 50.05 H new ATOM 0 HD11 LEU A 50 -3.124 -7.663 -14.662 1.00 21.10 H new ATOM 0 HD12 LEU A 50 -2.190 -6.333 -13.937 1.00 21.10 H new ATOM 0 HD13 LEU A 50 -2.289 -6.489 -15.707 1.00 21.10 H new ATOM 0 HD21 LEU A 50 -1.998 -9.542 -15.738 1.00 34.51 H new ATOM 0 HD22 LEU A 50 -1.120 -8.450 -16.835 1.00 34.51 H new ATOM 0 HD23 LEU A 50 -0.222 -9.605 -15.821 1.00 34.51 H new ATOM 752 N SER A 51 3.481 -6.333 -14.929 1.00 21.24 N ATOM 753 CA SER A 51 4.630 -5.616 -15.505 1.00 51.14 C ATOM 754 C SER A 51 5.681 -6.593 -16.062 1.00 44.05 C ATOM 755 O SER A 51 6.364 -6.280 -17.038 1.00 52.34 O ATOM 756 CB SER A 51 5.269 -4.692 -14.467 1.00 4.14 C ATOM 757 OG SER A 51 4.343 -3.718 -14.023 1.00 11.21 O ATOM 0 H SER A 51 3.389 -6.241 -13.917 1.00 21.24 H new ATOM 0 HA SER A 51 4.257 -5.012 -16.332 1.00 51.14 H new ATOM 0 HB2 SER A 51 5.621 -5.279 -13.619 1.00 4.14 H new ATOM 0 HB3 SER A 51 6.141 -4.201 -14.899 1.00 4.14 H new ATOM 0 HG SER A 51 3.788 -4.096 -13.309 1.00 11.21 H new ATOM 763 N ARG A 52 5.764 -7.785 -15.455 1.00 23.44 N ATOM 764 CA ARG A 52 6.660 -8.849 -15.909 1.00 24.52 C ATOM 765 C ARG A 52 6.155 -9.478 -17.215 1.00 41.35 C ATOM 766 O ARG A 52 6.932 -9.725 -18.137 1.00 71.14 O ATOM 767 CB ARG A 52 6.770 -9.929 -14.825 1.00 33.24 C ATOM 768 CG ARG A 52 7.760 -11.038 -15.153 1.00 60.34 C ATOM 769 CD ARG A 52 7.692 -12.167 -14.145 1.00 31.14 C ATOM 770 NE ARG A 52 8.750 -13.156 -14.369 1.00 74.22 N ATOM 771 CZ ARG A 52 8.716 -14.420 -13.945 1.00 51.22 C ATOM 772 NH1 ARG A 52 7.649 -14.902 -13.308 1.00 73.32 N ATOM 773 NH2 ARG A 52 9.757 -15.207 -14.177 1.00 4.24 N ATOM 0 H ARG A 52 5.210 -8.035 -14.636 1.00 23.44 H new ATOM 0 HA ARG A 52 7.641 -8.413 -16.096 1.00 24.52 H new ATOM 0 HB2 ARG A 52 7.065 -9.459 -13.887 1.00 33.24 H new ATOM 0 HB3 ARG A 52 5.786 -10.370 -14.665 1.00 33.24 H new ATOM 0 HG2 ARG A 52 7.553 -11.427 -16.150 1.00 60.34 H new ATOM 0 HG3 ARG A 52 8.770 -10.629 -15.174 1.00 60.34 H new ATOM 0 HD2 ARG A 52 7.780 -11.761 -13.137 1.00 31.14 H new ATOM 0 HD3 ARG A 52 6.719 -12.654 -14.209 1.00 31.14 H new ATOM 0 HE ARG A 52 9.575 -12.855 -14.888 1.00 74.22 H new ATOM 0 HH11 ARG A 52 6.842 -14.302 -13.138 1.00 73.32 H new ATOM 0 HH12 ARG A 52 7.639 -15.871 -12.990 1.00 73.32 H new ATOM 0 HH21 ARG A 52 10.570 -14.844 -14.674 1.00 4.24 H new ATOM 0 HH22 ARG A 52 9.745 -16.176 -13.858 1.00 4.24 H new ATOM 787 N ASN A 53 4.845 -9.718 -17.281 1.00 71.31 N ATOM 788 CA ASN A 53 4.225 -10.394 -18.429 1.00 13.44 C ATOM 789 C ASN A 53 3.983 -9.440 -19.601 1.00 71.53 C ATOM 790 O ASN A 53 3.782 -9.876 -20.737 1.00 3.15 O ATOM 791 CB ASN A 53 2.900 -11.045 -18.005 1.00 72.33 C ATOM 792 CG ASN A 53 3.092 -12.207 -17.043 1.00 71.00 C ATOM 793 OD1 ASN A 53 4.109 -12.898 -17.079 1.00 23.43 O ATOM 794 ND2 ASN A 53 2.115 -12.436 -16.180 1.00 71.42 N ATOM 0 H ASN A 53 4.186 -9.453 -16.549 1.00 71.31 H new ATOM 0 HA ASN A 53 4.921 -11.161 -18.768 1.00 13.44 H new ATOM 0 HB2 ASN A 53 2.265 -10.293 -17.536 1.00 72.33 H new ATOM 0 HB3 ASN A 53 2.374 -11.398 -18.892 1.00 72.33 H new ATOM 0 HD21 ASN A 53 2.191 -13.206 -15.516 1.00 71.42 H new ATOM 0 HD22 ASN A 53 1.286 -11.842 -16.179 1.00 71.42 H new ATOM 801 N GLY A 54 3.996 -8.142 -19.308 1.00 14.04 N ATOM 802 CA GLY A 54 3.758 -7.127 -20.319 1.00 24.22 C ATOM 803 C GLY A 54 2.279 -6.854 -20.526 1.00 14.02 C ATOM 804 O GLY A 54 1.878 -6.325 -21.563 1.00 13.12 O ATOM 0 H GLY A 54 4.170 -7.772 -18.374 1.00 14.04 H new ATOM 0 HA2 GLY A 54 4.258 -6.203 -20.028 1.00 24.22 H new ATOM 0 HA3 GLY A 54 4.202 -7.446 -21.262 1.00 24.22 H new ATOM 808 N GLY A 55 1.473 -7.213 -19.530 1.00 65.40 N ATOM 809 CA GLY A 55 0.043 -7.019 -19.601 1.00 3.11 C ATOM 810 C GLY A 55 -0.448 -6.049 -18.550 1.00 71.34 C ATOM 811 O GLY A 55 -1.537 -6.224 -18.016 1.00 4.01 O ATOM 0 H GLY A 55 1.797 -7.642 -18.663 1.00 65.40 H new ATOM 0 HA2 GLY A 55 -0.224 -6.648 -20.590 1.00 3.11 H new ATOM 0 HA3 GLY A 55 -0.460 -7.978 -19.474 1.00 3.11 H new ATOM 815 N TYR A 56 0.377 -5.037 -18.246 1.00 53.32 N ATOM 816 CA TYR A 56 0.015 -3.955 -17.326 1.00 51.33 C ATOM 817 C TYR A 56 -0.953 -3.002 -18.042 1.00 12.13 C ATOM 818 O TYR A 56 -0.550 -2.060 -18.731 1.00 71.53 O ATOM 819 CB TYR A 56 1.306 -3.246 -16.828 1.00 44.50 C ATOM 820 CG TYR A 56 1.168 -2.087 -15.826 1.00 51.03 C ATOM 821 CD1 TYR A 56 -0.055 -1.669 -15.309 1.00 51.42 C ATOM 822 CD2 TYR A 56 2.302 -1.397 -15.412 1.00 40.34 C ATOM 823 CE1 TYR A 56 -0.142 -0.615 -14.422 1.00 20.22 C ATOM 824 CE2 TYR A 56 2.223 -0.341 -14.522 1.00 33.44 C ATOM 825 CZ TYR A 56 0.998 0.049 -14.033 1.00 3.14 C ATOM 826 OH TYR A 56 0.910 1.101 -13.143 1.00 22.23 O ATOM 0 H TYR A 56 1.316 -4.948 -18.634 1.00 53.32 H new ATOM 0 HA TYR A 56 -0.495 -4.341 -16.443 1.00 51.33 H new ATOM 0 HB2 TYR A 56 1.945 -4.003 -16.373 1.00 44.50 H new ATOM 0 HB3 TYR A 56 1.834 -2.867 -17.703 1.00 44.50 H new ATOM 0 HD1 TYR A 56 -0.957 -2.181 -15.609 1.00 51.42 H new ATOM 0 HD2 TYR A 56 3.268 -1.693 -15.795 1.00 40.34 H new ATOM 0 HE1 TYR A 56 -1.103 -0.312 -14.034 1.00 20.22 H new ATOM 0 HE2 TYR A 56 3.120 0.175 -14.212 1.00 33.44 H new ATOM 0 HH TYR A 56 1.806 1.460 -12.971 1.00 22.23 H new ATOM 836 N LYS A 57 -2.231 -3.323 -17.915 1.00 54.30 N ATOM 837 CA LYS A 57 -3.296 -2.542 -18.502 1.00 4.54 C ATOM 838 C LYS A 57 -4.191 -1.972 -17.416 1.00 64.11 C ATOM 839 O LYS A 57 -4.533 -2.659 -16.450 1.00 53.25 O ATOM 840 CB LYS A 57 -4.138 -3.411 -19.447 1.00 23.33 C ATOM 841 CG LYS A 57 -3.375 -3.982 -20.634 1.00 23.20 C ATOM 842 CD LYS A 57 -4.254 -4.931 -21.427 1.00 11.05 C ATOM 843 CE LYS A 57 -3.601 -5.382 -22.723 1.00 5.43 C ATOM 844 NZ LYS A 57 -2.379 -6.193 -22.486 1.00 10.32 N ATOM 0 H LYS A 57 -2.555 -4.140 -17.397 1.00 54.30 H new ATOM 0 HA LYS A 57 -2.848 -1.725 -19.067 1.00 4.54 H new ATOM 0 HB2 LYS A 57 -4.565 -4.236 -18.876 1.00 23.33 H new ATOM 0 HB3 LYS A 57 -4.971 -2.816 -19.820 1.00 23.33 H new ATOM 0 HG2 LYS A 57 -3.033 -3.171 -21.277 1.00 23.20 H new ATOM 0 HG3 LYS A 57 -2.487 -4.508 -20.284 1.00 23.20 H new ATOM 0 HD2 LYS A 57 -4.484 -5.804 -20.816 1.00 11.05 H new ATOM 0 HD3 LYS A 57 -5.201 -4.441 -21.652 1.00 11.05 H new ATOM 0 HE2 LYS A 57 -4.315 -5.966 -23.303 1.00 5.43 H new ATOM 0 HE3 LYS A 57 -3.344 -4.508 -23.321 1.00 5.43 H new ATOM 0 HZ1 LYS A 57 -1.969 -6.478 -23.398 1.00 10.32 H new ATOM 0 HZ2 LYS A 57 -1.685 -5.628 -21.955 1.00 10.32 H new ATOM 0 HZ3 LYS A 57 -2.626 -7.042 -21.938 1.00 10.32 H new ATOM 858 N MET A 58 -4.547 -0.712 -17.575 1.00 23.25 N ATOM 859 CA MET A 58 -5.560 -0.094 -16.738 1.00 51.20 C ATOM 860 C MET A 58 -6.896 -0.222 -17.440 1.00 42.13 C ATOM 861 O MET A 58 -6.962 -0.121 -18.669 1.00 4.22 O ATOM 862 CB MET A 58 -5.258 1.390 -16.446 1.00 13.25 C ATOM 863 CG MET A 58 -4.135 1.638 -15.439 1.00 55.24 C ATOM 864 SD MET A 58 -2.488 1.248 -16.056 1.00 71.31 S ATOM 865 CE MET A 58 -2.315 2.418 -17.401 1.00 14.04 C ATOM 0 H MET A 58 -4.148 -0.092 -18.280 1.00 23.25 H new ATOM 0 HA MET A 58 -5.573 -0.606 -15.776 1.00 51.20 H new ATOM 0 HB2 MET A 58 -5.000 1.883 -17.383 1.00 13.25 H new ATOM 0 HB3 MET A 58 -6.167 1.864 -16.076 1.00 13.25 H new ATOM 0 HG2 MET A 58 -4.159 2.685 -15.136 1.00 55.24 H new ATOM 0 HG3 MET A 58 -4.326 1.044 -14.546 1.00 55.24 H new ATOM 0 HE1 MET A 58 -1.262 2.518 -17.663 1.00 14.04 H new ATOM 0 HE2 MET A 58 -2.872 2.061 -18.268 1.00 14.04 H new ATOM 0 HE3 MET A 58 -2.706 3.387 -17.093 1.00 14.04 H new ATOM 875 N VAL A 59 -7.958 -0.445 -16.667 1.00 65.51 N ATOM 876 CA VAL A 59 -9.294 -0.625 -17.239 1.00 54.24 C ATOM 877 C VAL A 59 -9.910 0.728 -17.630 1.00 24.11 C ATOM 878 O VAL A 59 -10.894 0.787 -18.372 1.00 14.24 O ATOM 879 CB VAL A 59 -10.258 -1.439 -16.310 1.00 55.33 C ATOM 880 CG1 VAL A 59 -9.599 -2.718 -15.816 1.00 54.14 C ATOM 881 CG2 VAL A 59 -10.761 -0.630 -15.127 1.00 14.52 C ATOM 0 H VAL A 59 -7.922 -0.505 -15.649 1.00 65.51 H new ATOM 0 HA VAL A 59 -9.166 -1.223 -18.141 1.00 54.24 H new ATOM 0 HB VAL A 59 -11.121 -1.693 -16.925 1.00 55.33 H new ATOM 0 HG11 VAL A 59 -10.293 -3.260 -15.174 1.00 54.14 H new ATOM 0 HG12 VAL A 59 -9.330 -3.342 -16.669 1.00 54.14 H new ATOM 0 HG13 VAL A 59 -8.701 -2.470 -15.251 1.00 54.14 H new ATOM 0 HG21 VAL A 59 -11.424 -1.247 -14.520 1.00 14.52 H new ATOM 0 HG22 VAL A 59 -9.914 -0.304 -14.523 1.00 14.52 H new ATOM 0 HG23 VAL A 59 -11.306 0.242 -15.488 1.00 14.52 H new ATOM 891 N GLU A 60 -9.311 1.801 -17.112 1.00 23.33 N ATOM 892 CA GLU A 60 -9.619 3.156 -17.518 1.00 53.24 C ATOM 893 C GLU A 60 -8.347 3.986 -17.532 1.00 30.13 C ATOM 894 O GLU A 60 -7.601 4.014 -16.545 1.00 51.03 O ATOM 895 CB GLU A 60 -10.650 3.809 -16.591 1.00 35.35 C ATOM 896 CG GLU A 60 -12.021 3.984 -17.233 1.00 44.32 C ATOM 897 CD GLU A 60 -11.968 4.782 -18.522 1.00 31.25 C ATOM 898 OE1 GLU A 60 -11.318 5.844 -18.552 1.00 52.15 O ATOM 899 OE2 GLU A 60 -12.575 4.346 -19.515 1.00 14.24 O ATOM 0 H GLU A 60 -8.592 1.744 -16.391 1.00 23.33 H new ATOM 0 HA GLU A 60 -10.050 3.114 -18.518 1.00 53.24 H new ATOM 0 HB2 GLU A 60 -10.754 3.202 -15.692 1.00 35.35 H new ATOM 0 HB3 GLU A 60 -10.278 4.784 -16.277 1.00 35.35 H new ATOM 0 HG2 GLU A 60 -12.450 3.003 -17.436 1.00 44.32 H new ATOM 0 HG3 GLU A 60 -12.686 4.484 -16.529 1.00 44.32 H new ATOM 978 N GLU A 67 -1.203 5.399 -8.765 1.00 1.25 N ATOM 979 CA GLU A 67 -0.941 4.037 -8.329 1.00 22.55 C ATOM 980 C GLU A 67 0.225 4.005 -7.348 1.00 73.20 C ATOM 981 O GLU A 67 1.031 4.949 -7.295 1.00 63.31 O ATOM 982 CB GLU A 67 -0.605 3.179 -9.561 1.00 53.13 C ATOM 983 CG GLU A 67 -1.486 3.457 -10.785 1.00 61.23 C ATOM 984 CD GLU A 67 -2.942 3.089 -10.582 1.00 30.11 C ATOM 985 OE1 GLU A 67 -3.213 1.905 -10.300 1.00 11.42 O ATOM 986 OE2 GLU A 67 -3.808 3.974 -10.739 1.00 23.42 O ATOM 0 HA GLU A 67 -1.824 3.643 -7.826 1.00 22.55 H new ATOM 0 HB2 GLU A 67 0.437 3.347 -9.833 1.00 53.13 H new ATOM 0 HB3 GLU A 67 -0.699 2.127 -9.292 1.00 53.13 H new ATOM 0 HG2 GLU A 67 -1.419 4.515 -11.037 1.00 61.23 H new ATOM 0 HG3 GLU A 67 -1.095 2.901 -11.637 1.00 61.23 H new ATOM 993 N TRP A 68 0.307 2.933 -6.565 1.00 51.43 N ATOM 994 CA TRP A 68 1.414 2.759 -5.642 1.00 62.44 C ATOM 995 C TRP A 68 2.680 2.364 -6.403 1.00 44.42 C ATOM 996 O TRP A 68 2.915 1.191 -6.693 1.00 54.11 O ATOM 997 CB TRP A 68 1.079 1.743 -4.536 1.00 21.41 C ATOM 998 CG TRP A 68 -0.088 2.125 -3.665 1.00 0.54 C ATOM 999 CD1 TRP A 68 -1.157 1.337 -3.371 1.00 10.02 C ATOM 1000 CD2 TRP A 68 -0.317 3.380 -2.985 1.00 53.15 C ATOM 1001 NE1 TRP A 68 -2.032 2.009 -2.550 1.00 70.42 N ATOM 1002 CE2 TRP A 68 -1.544 3.263 -2.305 1.00 33.41 C ATOM 1003 CE3 TRP A 68 0.388 4.586 -2.887 1.00 10.51 C ATOM 1004 CZ2 TRP A 68 -2.077 4.301 -1.543 1.00 30.10 C ATOM 1005 CZ3 TRP A 68 -0.140 5.611 -2.128 1.00 1.34 C ATOM 1006 CH2 TRP A 68 -1.362 5.464 -1.467 1.00 74.15 C ATOM 0 H TRP A 68 -0.378 2.178 -6.554 1.00 51.43 H new ATOM 0 HA TRP A 68 1.596 3.713 -5.147 1.00 62.44 H new ATOM 0 HB2 TRP A 68 0.870 0.778 -4.999 1.00 21.41 H new ATOM 0 HB3 TRP A 68 1.958 1.610 -3.905 1.00 21.41 H new ATOM 0 HD1 TRP A 68 -1.298 0.328 -3.731 1.00 10.02 H new ATOM 0 HE1 TRP A 68 -2.906 1.632 -2.182 1.00 70.42 H new ATOM 0 HE3 TRP A 68 1.331 4.712 -3.398 1.00 10.51 H new ATOM 0 HZ2 TRP A 68 -3.021 4.191 -1.031 1.00 30.10 H new ATOM 0 HZ3 TRP A 68 0.401 6.542 -2.044 1.00 1.34 H new ATOM 0 HH2 TRP A 68 -1.750 6.286 -0.884 1.00 74.15 H new ATOM 1017 N HIS A 69 3.452 3.396 -6.764 1.00 52.32 N ATOM 1018 CA HIS A 69 4.659 3.264 -7.566 1.00 55.20 C ATOM 1019 C HIS A 69 5.479 4.554 -7.437 1.00 54.12 C ATOM 1020 O HIS A 69 6.598 4.538 -6.925 1.00 14.11 O ATOM 1021 CB HIS A 69 4.285 3.005 -9.042 1.00 2.33 C ATOM 1022 CG HIS A 69 5.401 2.493 -9.907 1.00 13.54 C ATOM 1023 ND1 HIS A 69 6.119 3.292 -10.768 1.00 22.12 N ATOM 1024 CD2 HIS A 69 5.892 1.246 -10.061 1.00 63.41 C ATOM 1025 CE1 HIS A 69 6.997 2.558 -11.419 1.00 64.14 C ATOM 1026 NE2 HIS A 69 6.884 1.311 -11.012 1.00 63.41 N ATOM 0 H HIS A 69 3.246 4.359 -6.499 1.00 52.32 H new ATOM 0 HA HIS A 69 5.252 2.421 -7.212 1.00 55.20 H new ATOM 0 HB2 HIS A 69 3.466 2.286 -9.071 1.00 2.33 H new ATOM 0 HB3 HIS A 69 3.910 3.933 -9.473 1.00 2.33 H new ATOM 0 HD2 HIS A 69 5.567 0.361 -9.535 1.00 63.41 H new ATOM 0 HE1 HIS A 69 7.693 2.918 -12.162 1.00 64.14 H new ATOM 0 HE2 HIS A 69 7.440 0.524 -11.346 1.00 63.41 H new ATOM 1035 N GLU A 70 4.878 5.677 -7.859 1.00 25.02 N ATOM 1036 CA GLU A 70 5.561 6.980 -7.902 1.00 21.30 C ATOM 1037 C GLU A 70 5.635 7.638 -6.529 1.00 73.13 C ATOM 1038 O GLU A 70 6.716 7.719 -5.938 1.00 41.24 O ATOM 1039 CB GLU A 70 4.865 7.915 -8.901 1.00 34.24 C ATOM 1040 CG GLU A 70 5.542 7.997 -10.262 1.00 71.13 C ATOM 1041 CD GLU A 70 5.778 6.643 -10.893 1.00 23.35 C ATOM 1042 OE1 GLU A 70 4.810 6.022 -11.368 1.00 3.11 O ATOM 1043 OE2 GLU A 70 6.937 6.188 -10.903 1.00 42.23 O ATOM 0 H GLU A 70 3.910 5.708 -8.179 1.00 25.02 H new ATOM 0 HA GLU A 70 6.584 6.797 -8.231 1.00 21.30 H new ATOM 0 HB2 GLU A 70 3.837 7.579 -9.040 1.00 34.24 H new ATOM 0 HB3 GLU A 70 4.818 8.916 -8.471 1.00 34.24 H new ATOM 0 HG2 GLU A 70 4.927 8.600 -10.930 1.00 71.13 H new ATOM 0 HG3 GLU A 70 6.497 8.512 -10.155 1.00 71.13 H new ATOM 1050 N GLN A 71 4.479 8.077 -6.011 1.00 31.42 N ATOM 1051 CA GLN A 71 4.404 8.722 -4.691 1.00 43.53 C ATOM 1052 C GLN A 71 4.681 7.719 -3.578 1.00 23.00 C ATOM 1053 O GLN A 71 5.196 8.083 -2.525 1.00 71.14 O ATOM 1054 CB GLN A 71 3.032 9.368 -4.446 1.00 43.20 C ATOM 1055 CG GLN A 71 2.815 10.727 -5.115 1.00 43.10 C ATOM 1056 CD GLN A 71 2.612 10.652 -6.620 1.00 5.03 C ATOM 1057 OE1 GLN A 71 3.565 10.738 -7.393 1.00 1.20 O ATOM 1058 NE2 GLN A 71 1.374 10.481 -7.040 1.00 25.34 N ATOM 0 H GLN A 71 3.580 7.997 -6.487 1.00 31.42 H new ATOM 0 HA GLN A 71 5.166 9.502 -4.683 1.00 43.53 H new ATOM 0 HB2 GLN A 71 2.260 8.683 -4.796 1.00 43.20 H new ATOM 0 HB3 GLN A 71 2.892 9.485 -3.371 1.00 43.20 H new ATOM 0 HG2 GLN A 71 1.946 11.207 -4.665 1.00 43.10 H new ATOM 0 HG3 GLN A 71 3.674 11.364 -4.906 1.00 43.10 H new ATOM 0 HE21 GLN A 71 0.611 10.414 -6.366 1.00 25.34 H new ATOM 0 HE22 GLN A 71 1.179 10.415 -8.039 1.00 25.34 H new ATOM 1067 N ALA A 72 4.381 6.446 -3.861 1.00 11.33 N ATOM 1068 CA ALA A 72 4.489 5.365 -2.887 1.00 40.24 C ATOM 1069 C ALA A 72 5.914 5.064 -2.457 1.00 24.24 C ATOM 1070 O ALA A 72 6.090 4.546 -1.377 1.00 32.12 O ATOM 1071 CB ALA A 72 3.864 4.106 -3.421 1.00 34.05 C ATOM 0 H ALA A 72 4.055 6.140 -4.778 1.00 11.33 H new ATOM 0 HA ALA A 72 3.954 5.716 -2.005 1.00 40.24 H new ATOM 0 HB1 ALA A 72 3.955 3.312 -2.680 1.00 34.05 H new ATOM 0 HB2 ALA A 72 2.810 4.285 -3.634 1.00 34.05 H new ATOM 0 HB3 ALA A 72 4.373 3.807 -4.337 1.00 34.05 H new ATOM 1077 N GLU A 73 6.914 5.365 -3.306 1.00 32.13 N ATOM 1078 CA GLU A 73 8.331 5.173 -2.944 1.00 52.44 C ATOM 1079 C GLU A 73 8.733 6.058 -1.747 1.00 2.45 C ATOM 1080 O GLU A 73 9.529 5.655 -0.893 1.00 71.34 O ATOM 1081 CB GLU A 73 9.250 5.485 -4.135 1.00 43.55 C ATOM 1082 CG GLU A 73 10.704 5.118 -3.869 1.00 24.24 C ATOM 1083 CD GLU A 73 11.682 5.847 -4.755 1.00 71.31 C ATOM 1084 OE1 GLU A 73 12.015 7.007 -4.442 1.00 43.03 O ATOM 1085 OE2 GLU A 73 12.139 5.255 -5.747 1.00 44.13 O ATOM 0 H GLU A 73 6.768 5.740 -4.243 1.00 32.13 H new ATOM 0 HA GLU A 73 8.448 4.127 -2.662 1.00 52.44 H new ATOM 0 HB2 GLU A 73 8.898 4.942 -5.012 1.00 43.55 H new ATOM 0 HB3 GLU A 73 9.185 6.547 -4.370 1.00 43.55 H new ATOM 0 HG2 GLU A 73 10.940 5.334 -2.827 1.00 24.24 H new ATOM 0 HG3 GLU A 73 10.830 4.044 -4.009 1.00 24.24 H new ATOM 1092 N LYS A 74 8.183 7.263 -1.701 1.00 53.13 N ATOM 1093 CA LYS A 74 8.455 8.194 -0.612 1.00 3.32 C ATOM 1094 C LYS A 74 7.687 7.790 0.649 1.00 13.13 C ATOM 1095 O LYS A 74 8.190 7.920 1.765 1.00 60.42 O ATOM 1096 CB LYS A 74 8.091 9.633 -1.018 1.00 13.10 C ATOM 1097 CG LYS A 74 8.638 10.086 -2.380 1.00 71.51 C ATOM 1098 CD LYS A 74 10.132 9.806 -2.569 1.00 22.33 C ATOM 1099 CE LYS A 74 11.010 10.531 -1.561 1.00 61.53 C ATOM 1100 NZ LYS A 74 12.436 10.149 -1.716 1.00 50.42 N ATOM 0 H LYS A 74 7.542 7.622 -2.409 1.00 53.13 H new ATOM 0 HA LYS A 74 9.523 8.156 -0.396 1.00 3.32 H new ATOM 0 HB2 LYS A 74 7.005 9.726 -1.031 1.00 13.10 H new ATOM 0 HB3 LYS A 74 8.460 10.314 -0.251 1.00 13.10 H new ATOM 0 HG2 LYS A 74 8.081 9.583 -3.171 1.00 71.51 H new ATOM 0 HG3 LYS A 74 8.461 11.155 -2.495 1.00 71.51 H new ATOM 0 HD2 LYS A 74 10.307 8.733 -2.488 1.00 22.33 H new ATOM 0 HD3 LYS A 74 10.426 10.102 -3.576 1.00 22.33 H new ATOM 0 HE2 LYS A 74 10.903 11.608 -1.691 1.00 61.53 H new ATOM 0 HE3 LYS A 74 10.676 10.297 -0.550 1.00 61.53 H new ATOM 0 HZ1 LYS A 74 13.010 10.659 -1.015 1.00 50.42 H new ATOM 0 HZ2 LYS A 74 12.539 9.125 -1.568 1.00 50.42 H new ATOM 0 HZ3 LYS A 74 12.759 10.395 -2.673 1.00 50.42 H new ATOM 1114 N VAL A 75 6.477 7.281 0.435 1.00 23.54 N ATOM 1115 CA VAL A 75 5.566 6.887 1.509 1.00 62.31 C ATOM 1116 C VAL A 75 6.018 5.576 2.194 1.00 60.42 C ATOM 1117 O VAL A 75 5.880 5.430 3.412 1.00 1.13 O ATOM 1118 CB VAL A 75 4.116 6.753 0.959 1.00 65.31 C ATOM 1119 CG1 VAL A 75 3.129 6.437 2.053 1.00 74.04 C ATOM 1120 CG2 VAL A 75 3.676 8.022 0.259 1.00 51.01 C ATOM 0 H VAL A 75 6.096 7.128 -0.499 1.00 23.54 H new ATOM 0 HA VAL A 75 5.585 7.669 2.268 1.00 62.31 H new ATOM 0 HB VAL A 75 4.132 5.928 0.246 1.00 65.31 H new ATOM 0 HG11 VAL A 75 2.129 6.352 1.627 1.00 74.04 H new ATOM 0 HG12 VAL A 75 3.402 5.495 2.529 1.00 74.04 H new ATOM 0 HG13 VAL A 75 3.141 7.235 2.795 1.00 74.04 H new ATOM 0 HG21 VAL A 75 2.659 7.898 -0.114 1.00 51.01 H new ATOM 0 HG22 VAL A 75 3.705 8.854 0.962 1.00 51.01 H new ATOM 0 HG23 VAL A 75 4.346 8.228 -0.575 1.00 51.01 H new ATOM 1130 N GLU A 76 6.564 4.638 1.408 1.00 3.44 N ATOM 1131 CA GLU A 76 7.066 3.366 1.938 1.00 35.11 C ATOM 1132 C GLU A 76 8.316 3.570 2.803 1.00 75.33 C ATOM 1133 O GLU A 76 8.474 2.909 3.824 1.00 63.41 O ATOM 1134 CB GLU A 76 7.339 2.348 0.807 1.00 22.41 C ATOM 1135 CG GLU A 76 8.416 2.752 -0.185 1.00 52.13 C ATOM 1136 CD GLU A 76 9.645 1.873 -0.132 1.00 22.04 C ATOM 1137 OE1 GLU A 76 10.468 2.033 0.790 1.00 32.20 O ATOM 1138 OE2 GLU A 76 9.797 1.017 -1.020 1.00 61.40 O ATOM 0 H GLU A 76 6.669 4.739 0.398 1.00 3.44 H new ATOM 0 HA GLU A 76 6.284 2.954 2.575 1.00 35.11 H new ATOM 0 HB2 GLU A 76 7.622 1.397 1.258 1.00 22.41 H new ATOM 0 HB3 GLU A 76 6.411 2.179 0.261 1.00 22.41 H new ATOM 0 HG2 GLU A 76 8.001 2.722 -1.192 1.00 52.13 H new ATOM 0 HG3 GLU A 76 8.708 3.784 0.009 1.00 52.13 H new ATOM 1145 N ALA A 77 9.187 4.505 2.390 1.00 60.34 N ATOM 1146 CA ALA A 77 10.375 4.865 3.156 1.00 31.11 C ATOM 1147 C ALA A 77 9.990 5.513 4.486 1.00 71.20 C ATOM 1148 O ALA A 77 10.655 5.306 5.502 1.00 70.42 O ATOM 1149 CB ALA A 77 11.251 5.792 2.338 1.00 3.11 C ATOM 0 H ALA A 77 9.082 5.026 1.519 1.00 60.34 H new ATOM 0 HA ALA A 77 10.936 3.958 3.380 1.00 31.11 H new ATOM 0 HB1 ALA A 77 12.137 6.058 2.914 1.00 3.11 H new ATOM 0 HB2 ALA A 77 11.553 5.290 1.419 1.00 3.11 H new ATOM 0 HB3 ALA A 77 10.694 6.696 2.091 1.00 3.11 H new ATOM 1155 N TYR A 78 8.874 6.248 4.464 1.00 70.01 N ATOM 1156 CA TYR A 78 8.320 6.876 5.652 1.00 40.11 C ATOM 1157 C TYR A 78 7.709 5.832 6.603 1.00 65.23 C ATOM 1158 O TYR A 78 7.755 6.002 7.816 1.00 4.24 O ATOM 1159 CB TYR A 78 7.270 7.906 5.251 1.00 43.32 C ATOM 1160 CG TYR A 78 7.026 8.959 6.300 1.00 72.15 C ATOM 1161 CD1 TYR A 78 7.899 10.025 6.438 1.00 52.23 C ATOM 1162 CD2 TYR A 78 5.931 8.891 7.149 1.00 5.31 C ATOM 1163 CE1 TYR A 78 7.692 10.994 7.391 1.00 12.51 C ATOM 1164 CE2 TYR A 78 5.717 9.860 8.105 1.00 32.25 C ATOM 1165 CZ TYR A 78 6.601 10.910 8.222 1.00 0.13 C ATOM 1166 OH TYR A 78 6.399 11.873 9.181 1.00 14.43 O ATOM 0 H TYR A 78 8.333 6.420 3.616 1.00 70.01 H new ATOM 0 HA TYR A 78 9.130 7.376 6.183 1.00 40.11 H new ATOM 0 HB2 TYR A 78 7.584 8.392 4.327 1.00 43.32 H new ATOM 0 HB3 TYR A 78 6.332 7.393 5.039 1.00 43.32 H new ATOM 0 HD1 TYR A 78 8.757 10.096 5.786 1.00 52.23 H new ATOM 0 HD2 TYR A 78 5.237 8.068 7.060 1.00 5.31 H new ATOM 0 HE1 TYR A 78 8.384 11.818 7.486 1.00 12.51 H new ATOM 0 HE2 TYR A 78 4.860 9.797 8.759 1.00 32.25 H new ATOM 0 HH TYR A 78 5.583 11.668 9.684 1.00 14.43 H new ATOM 1176 N LEU A 79 7.138 4.763 6.038 1.00 52.23 N ATOM 1177 CA LEU A 79 6.583 3.653 6.819 1.00 44.02 C ATOM 1178 C LEU A 79 7.701 2.922 7.570 1.00 60.12 C ATOM 1179 O LEU A 79 7.531 2.558 8.740 1.00 5.44 O ATOM 1180 CB LEU A 79 5.806 2.695 5.878 1.00 51.44 C ATOM 1181 CG LEU A 79 4.907 1.602 6.512 1.00 20.22 C ATOM 1182 CD1 LEU A 79 5.696 0.356 6.901 1.00 34.24 C ATOM 1183 CD2 LEU A 79 4.151 2.145 7.715 1.00 41.32 C ATOM 0 H LEU A 79 7.048 4.643 5.029 1.00 52.23 H new ATOM 0 HA LEU A 79 5.887 4.040 7.563 1.00 44.02 H new ATOM 0 HB2 LEU A 79 5.178 3.305 5.229 1.00 51.44 H new ATOM 0 HB3 LEU A 79 6.534 2.196 5.239 1.00 51.44 H new ATOM 0 HG LEU A 79 4.187 1.308 5.748 1.00 20.22 H new ATOM 0 HD11 LEU A 79 5.022 -0.379 7.340 1.00 34.24 H new ATOM 0 HD12 LEU A 79 6.167 -0.068 6.014 1.00 34.24 H new ATOM 0 HD13 LEU A 79 6.464 0.623 7.627 1.00 34.24 H new ATOM 0 HD21 LEU A 79 3.529 1.357 8.140 1.00 41.32 H new ATOM 0 HD22 LEU A 79 4.862 2.490 8.466 1.00 41.32 H new ATOM 0 HD23 LEU A 79 3.520 2.977 7.403 1.00 41.32 H new ATOM 1195 N VAL A 80 8.833 2.711 6.886 1.00 60.12 N ATOM 1196 CA VAL A 80 10.001 2.060 7.486 1.00 1.34 C ATOM 1197 C VAL A 80 10.557 2.882 8.659 1.00 74.54 C ATOM 1198 O VAL A 80 10.777 2.333 9.728 1.00 31.41 O ATOM 1199 CB VAL A 80 11.121 1.784 6.432 1.00 62.33 C ATOM 1200 CG1 VAL A 80 12.336 1.106 7.060 1.00 15.02 C ATOM 1201 CG2 VAL A 80 10.592 0.915 5.297 1.00 5.30 C ATOM 0 H VAL A 80 8.963 2.984 5.912 1.00 60.12 H new ATOM 0 HA VAL A 80 9.663 1.098 7.870 1.00 1.34 H new ATOM 0 HB VAL A 80 11.431 2.752 6.038 1.00 62.33 H new ATOM 0 HG11 VAL A 80 13.092 0.931 6.294 1.00 15.02 H new ATOM 0 HG12 VAL A 80 12.749 1.748 7.838 1.00 15.02 H new ATOM 0 HG13 VAL A 80 12.036 0.154 7.497 1.00 15.02 H new ATOM 0 HG21 VAL A 80 11.388 0.735 4.575 1.00 5.30 H new ATOM 0 HG22 VAL A 80 10.245 -0.037 5.699 1.00 5.30 H new ATOM 0 HG23 VAL A 80 9.764 1.424 4.805 1.00 5.30 H new ATOM 1211 N GLU A 81 10.706 4.201 8.489 1.00 34.21 N ATOM 1212 CA GLU A 81 11.287 5.044 9.544 1.00 41.32 C ATOM 1213 C GLU A 81 10.319 5.257 10.725 1.00 40.13 C ATOM 1214 O GLU A 81 10.762 5.561 11.833 1.00 12.32 O ATOM 1215 CB GLU A 81 11.764 6.390 8.976 1.00 1.33 C ATOM 1216 CG GLU A 81 10.656 7.274 8.421 1.00 61.30 C ATOM 1217 CD GLU A 81 11.175 8.537 7.781 1.00 4.13 C ATOM 1218 OE1 GLU A 81 11.509 8.503 6.581 1.00 52.14 O ATOM 1219 OE2 GLU A 81 11.234 9.573 8.470 1.00 1.22 O ATOM 0 H GLU A 81 10.437 4.704 7.643 1.00 34.21 H new ATOM 0 HA GLU A 81 12.153 4.509 9.934 1.00 41.32 H new ATOM 0 HB2 GLU A 81 12.287 6.936 9.762 1.00 1.33 H new ATOM 0 HB3 GLU A 81 12.489 6.199 8.184 1.00 1.33 H new ATOM 0 HG2 GLU A 81 10.083 6.710 7.686 1.00 61.30 H new ATOM 0 HG3 GLU A 81 9.970 7.537 9.227 1.00 61.30 H new ATOM 1226 N LYS A 82 9.008 5.086 10.489 1.00 62.44 N ATOM 1227 CA LYS A 82 8.020 5.172 11.567 1.00 51.51 C ATOM 1228 C LYS A 82 7.966 3.887 12.383 1.00 64.34 C ATOM 1229 O LYS A 82 7.724 3.944 13.593 1.00 24.43 O ATOM 1230 CB LYS A 82 6.614 5.445 11.005 1.00 23.04 C ATOM 1231 CG LYS A 82 6.347 6.894 10.636 1.00 12.01 C ATOM 1232 CD LYS A 82 6.381 7.788 11.858 1.00 50.14 C ATOM 1233 CE LYS A 82 5.955 9.203 11.528 1.00 50.55 C ATOM 1234 NZ LYS A 82 5.969 10.083 12.718 1.00 12.14 N ATOM 0 H LYS A 82 8.614 4.889 9.569 1.00 62.44 H new ATOM 0 HA LYS A 82 8.332 5.995 12.209 1.00 51.51 H new ATOM 0 HB2 LYS A 82 6.465 4.826 10.120 1.00 23.04 H new ATOM 0 HB3 LYS A 82 5.876 5.130 11.742 1.00 23.04 H new ATOM 0 HG2 LYS A 82 7.092 7.231 9.915 1.00 12.01 H new ATOM 0 HG3 LYS A 82 5.374 6.975 10.151 1.00 12.01 H new ATOM 0 HD2 LYS A 82 5.724 7.380 12.626 1.00 50.14 H new ATOM 0 HD3 LYS A 82 7.389 7.799 12.273 1.00 50.14 H new ATOM 0 HE2 LYS A 82 6.620 9.613 10.767 1.00 50.55 H new ATOM 0 HE3 LYS A 82 4.952 9.188 11.101 1.00 50.55 H new ATOM 0 HZ1 LYS A 82 5.483 10.975 12.496 1.00 12.14 H new ATOM 0 HZ2 LYS A 82 5.481 9.610 13.505 1.00 12.14 H new ATOM 0 HZ3 LYS A 82 6.953 10.283 12.990 1.00 12.14 H new ATOM 1248 N GLN A 83 8.194 2.738 11.691 1.00 74.15 N ATOM 1249 CA GLN A 83 8.074 1.369 12.257 1.00 10.34 C ATOM 1250 C GLN A 83 6.626 1.042 12.636 1.00 54.24 C ATOM 1251 O GLN A 83 6.360 0.026 13.277 1.00 45.11 O ATOM 1252 CB GLN A 83 8.998 1.158 13.475 1.00 55.10 C ATOM 1253 CG GLN A 83 10.476 1.089 13.134 1.00 24.42 C ATOM 1254 CD GLN A 83 10.841 -0.177 12.395 1.00 22.13 C ATOM 1255 OE1 GLN A 83 11.202 -1.180 13.000 1.00 63.34 O ATOM 1256 NE2 GLN A 83 10.730 -0.146 11.085 1.00 12.00 N ATOM 0 H GLN A 83 8.471 2.739 10.709 1.00 74.15 H new ATOM 0 HA GLN A 83 8.393 0.684 11.471 1.00 10.34 H new ATOM 0 HB2 GLN A 83 8.838 1.971 14.183 1.00 55.10 H new ATOM 0 HB3 GLN A 83 8.710 0.236 13.979 1.00 55.10 H new ATOM 0 HG2 GLN A 83 10.746 1.952 12.525 1.00 24.42 H new ATOM 0 HG3 GLN A 83 11.061 1.151 14.052 1.00 24.42 H new ATOM 0 HE21 GLN A 83 10.426 0.709 10.619 1.00 12.00 H new ATOM 0 HE22 GLN A 83 10.948 -0.977 10.535 1.00 12.00 H new ATOM 1265 N ASP A 84 5.690 1.869 12.174 1.00 32.31 N ATOM 1266 CA ASP A 84 4.327 1.837 12.656 1.00 3.24 C ATOM 1267 C ASP A 84 3.359 2.285 11.556 1.00 53.44 C ATOM 1268 O ASP A 84 3.472 3.400 11.039 1.00 0.23 O ATOM 1269 CB ASP A 84 4.205 2.742 13.889 1.00 42.35 C ATOM 1270 CG ASP A 84 2.877 2.610 14.587 1.00 55.41 C ATOM 1271 OD1 ASP A 84 2.716 1.679 15.397 1.00 43.53 O ATOM 1272 OD2 ASP A 84 1.992 3.430 14.329 1.00 34.20 O ATOM 0 H ASP A 84 5.863 2.574 11.458 1.00 32.31 H new ATOM 0 HA ASP A 84 4.066 0.816 12.935 1.00 3.24 H new ATOM 0 HB2 ASP A 84 5.003 2.500 14.591 1.00 42.35 H new ATOM 0 HB3 ASP A 84 4.349 3.779 13.587 1.00 42.35 H new ATOM 1277 N PRO A 85 2.402 1.403 11.176 1.00 74.02 N ATOM 1278 CA PRO A 85 1.418 1.675 10.106 1.00 73.34 C ATOM 1279 C PRO A 85 0.255 2.613 10.488 1.00 25.34 C ATOM 1280 O PRO A 85 -0.678 2.769 9.703 1.00 3.45 O ATOM 1281 CB PRO A 85 0.873 0.281 9.804 1.00 32.34 C ATOM 1282 CG PRO A 85 0.975 -0.455 11.087 1.00 52.22 C ATOM 1283 CD PRO A 85 2.245 0.029 11.718 1.00 62.10 C ATOM 0 HA PRO A 85 1.895 2.198 9.278 1.00 73.34 H new ATOM 0 HB2 PRO A 85 -0.159 0.327 9.456 1.00 32.34 H new ATOM 0 HB3 PRO A 85 1.452 -0.208 9.021 1.00 32.34 H new ATOM 0 HG2 PRO A 85 0.116 -0.253 11.726 1.00 52.22 H new ATOM 0 HG3 PRO A 85 1.003 -1.532 10.922 1.00 52.22 H new ATOM 0 HD2 PRO A 85 2.176 0.032 12.806 1.00 62.10 H new ATOM 0 HD3 PRO A 85 3.091 -0.605 11.454 1.00 62.10 H new ATOM 1291 N THR A 86 0.284 3.232 11.671 1.00 65.14 N ATOM 1292 CA THR A 86 -0.798 4.135 12.061 1.00 13.13 C ATOM 1293 C THR A 86 -0.276 5.471 12.634 1.00 15.10 C ATOM 1294 O THR A 86 -1.061 6.339 13.032 1.00 62.15 O ATOM 1295 CB THR A 86 -1.803 3.434 13.035 1.00 0.44 C ATOM 1296 OG1 THR A 86 -2.917 4.288 13.333 1.00 51.23 O ATOM 1297 CG2 THR A 86 -1.159 2.998 14.336 1.00 31.43 C ATOM 0 H THR A 86 1.028 3.128 12.361 1.00 65.14 H new ATOM 0 HA THR A 86 -1.344 4.386 11.151 1.00 13.13 H new ATOM 0 HB THR A 86 -2.146 2.542 12.511 1.00 0.44 H new ATOM 0 HG1 THR A 86 -2.636 5.225 13.275 1.00 51.23 H new ATOM 0 HG21 THR A 86 -1.906 2.519 14.969 1.00 31.43 H new ATOM 0 HG22 THR A 86 -0.355 2.293 14.126 1.00 31.43 H new ATOM 0 HG23 THR A 86 -0.752 3.869 14.850 1.00 31.43 H new ATOM 1305 N ASP A 87 1.042 5.669 12.633 1.00 45.50 N ATOM 1306 CA ASP A 87 1.610 6.930 13.102 1.00 21.34 C ATOM 1307 C ASP A 87 1.754 7.903 11.931 1.00 61.23 C ATOM 1308 O ASP A 87 2.777 7.933 11.237 1.00 64.41 O ATOM 1309 CB ASP A 87 2.950 6.705 13.815 1.00 63.50 C ATOM 1310 CG ASP A 87 3.371 7.907 14.637 1.00 21.04 C ATOM 1311 OD1 ASP A 87 2.541 8.419 15.414 1.00 62.54 O ATOM 1312 OD2 ASP A 87 4.528 8.345 14.523 1.00 63.23 O ATOM 0 H ASP A 87 1.727 4.982 12.317 1.00 45.50 H new ATOM 0 HA ASP A 87 0.931 7.369 13.833 1.00 21.34 H new ATOM 0 HB2 ASP A 87 2.872 5.833 14.464 1.00 63.50 H new ATOM 0 HB3 ASP A 87 3.720 6.485 13.076 1.00 63.50 H new ATOM 1317 N ILE A 88 0.686 8.664 11.698 1.00 54.13 N ATOM 1318 CA ILE A 88 0.592 9.561 10.554 1.00 74.20 C ATOM 1319 C ILE A 88 -0.568 10.559 10.766 1.00 74.24 C ATOM 1320 O ILE A 88 -1.564 10.240 11.422 1.00 44.23 O ATOM 1321 CB ILE A 88 0.419 8.744 9.220 1.00 33.44 C ATOM 1322 CG1 ILE A 88 0.543 9.641 7.977 1.00 24.31 C ATOM 1323 CG2 ILE A 88 -0.902 7.976 9.192 1.00 70.33 C ATOM 1324 CD1 ILE A 88 1.922 10.240 7.790 1.00 1.21 C ATOM 0 H ILE A 88 -0.138 8.674 12.299 1.00 54.13 H new ATOM 0 HA ILE A 88 1.518 10.129 10.467 1.00 74.20 H new ATOM 0 HB ILE A 88 1.233 8.019 9.195 1.00 33.44 H new ATOM 0 HG12 ILE A 88 0.288 9.057 7.092 1.00 24.31 H new ATOM 0 HG13 ILE A 88 -0.187 10.448 8.048 1.00 24.31 H new ATOM 0 HG21 ILE A 88 -0.983 7.425 8.255 1.00 70.33 H new ATOM 0 HG22 ILE A 88 -0.934 7.277 10.028 1.00 70.33 H new ATOM 0 HG23 ILE A 88 -1.732 8.677 9.273 1.00 70.33 H new ATOM 0 HD11 ILE A 88 1.931 10.860 6.893 1.00 1.21 H new ATOM 0 HD12 ILE A 88 2.173 10.852 8.656 1.00 1.21 H new ATOM 0 HD13 ILE A 88 2.655 9.440 7.686 1.00 1.21 H new ATOM 1336 N LYS A 89 -0.408 11.775 10.250 1.00 60.31 N ATOM 1337 CA LYS A 89 -1.458 12.780 10.306 1.00 5.43 C ATOM 1338 C LYS A 89 -1.765 13.297 8.905 1.00 3.52 C ATOM 1339 O LYS A 89 -0.862 13.650 8.140 1.00 25.54 O ATOM 1340 CB LYS A 89 -1.054 13.938 11.243 1.00 10.53 C ATOM 1341 CG LYS A 89 -2.086 15.068 11.361 1.00 23.13 C ATOM 1342 CD LYS A 89 -3.410 14.614 11.976 1.00 64.23 C ATOM 1343 CE LYS A 89 -3.274 14.284 13.455 1.00 71.03 C ATOM 1344 NZ LYS A 89 -4.585 13.938 14.059 1.00 74.40 N ATOM 0 H LYS A 89 0.445 12.086 9.786 1.00 60.31 H new ATOM 0 HA LYS A 89 -2.360 12.321 10.710 1.00 5.43 H new ATOM 0 HB2 LYS A 89 -0.867 13.532 12.237 1.00 10.53 H new ATOM 0 HB3 LYS A 89 -0.114 14.361 10.889 1.00 10.53 H new ATOM 0 HG2 LYS A 89 -1.668 15.871 11.968 1.00 23.13 H new ATOM 0 HG3 LYS A 89 -2.276 15.482 10.371 1.00 23.13 H new ATOM 0 HD2 LYS A 89 -4.156 15.398 11.848 1.00 64.23 H new ATOM 0 HD3 LYS A 89 -3.775 13.737 11.442 1.00 64.23 H new ATOM 0 HE2 LYS A 89 -2.583 13.450 13.581 1.00 71.03 H new ATOM 0 HE3 LYS A 89 -2.844 15.136 13.981 1.00 71.03 H new ATOM 0 HZ1 LYS A 89 -4.456 13.719 15.067 1.00 74.40 H new ATOM 0 HZ2 LYS A 89 -5.236 14.743 13.961 1.00 74.40 H new ATOM 0 HZ3 LYS A 89 -4.983 13.109 13.573 1.00 74.40 H new ATOM 1358 N TYR A 90 -3.047 13.303 8.572 1.00 72.41 N ATOM 1359 CA TYR A 90 -3.514 13.894 7.333 1.00 14.13 C ATOM 1360 C TYR A 90 -4.268 15.165 7.648 1.00 42.34 C ATOM 1361 O TYR A 90 -5.100 15.189 8.558 1.00 1.14 O ATOM 1362 CB TYR A 90 -4.443 12.950 6.564 1.00 22.41 C ATOM 1363 CG TYR A 90 -3.906 11.555 6.403 1.00 13.51 C ATOM 1364 CD1 TYR A 90 -2.768 11.305 5.654 1.00 55.01 C ATOM 1365 CD2 TYR A 90 -4.533 10.492 7.025 1.00 14.32 C ATOM 1366 CE1 TYR A 90 -2.272 10.028 5.528 1.00 54.00 C ATOM 1367 CE2 TYR A 90 -4.042 9.213 6.908 1.00 24.33 C ATOM 1368 CZ TYR A 90 -2.915 8.987 6.161 1.00 51.22 C ATOM 1369 OH TYR A 90 -2.429 7.716 6.044 1.00 11.42 O ATOM 0 H TYR A 90 -3.785 12.901 9.150 1.00 72.41 H new ATOM 0 HA TYR A 90 -2.643 14.097 6.710 1.00 14.13 H new ATOM 0 HB2 TYR A 90 -5.402 12.901 7.080 1.00 22.41 H new ATOM 0 HB3 TYR A 90 -4.634 13.370 5.577 1.00 22.41 H new ATOM 0 HD1 TYR A 90 -2.263 12.124 5.162 1.00 55.01 H new ATOM 0 HD2 TYR A 90 -5.422 10.669 7.612 1.00 14.32 H new ATOM 0 HE1 TYR A 90 -1.386 9.843 4.938 1.00 54.00 H new ATOM 0 HE2 TYR A 90 -4.541 8.392 7.401 1.00 24.33 H new ATOM 0 HH TYR A 90 -1.450 7.743 6.003 1.00 11.42 H new ATOM 1379 N LYS A 91 -3.978 16.215 6.907 1.00 3.23 N ATOM 1380 CA LYS A 91 -4.700 17.465 7.054 1.00 20.15 C ATOM 1381 C LYS A 91 -5.418 17.786 5.750 1.00 34.11 C ATOM 1382 O LYS A 91 -4.975 18.612 4.952 1.00 33.34 O ATOM 1383 CB LYS A 91 -3.752 18.616 7.491 1.00 2.12 C ATOM 1384 CG LYS A 91 -2.249 18.414 7.210 1.00 61.21 C ATOM 1385 CD LYS A 91 -1.872 18.557 5.734 1.00 4.32 C ATOM 1386 CE LYS A 91 -2.027 19.988 5.227 1.00 33.34 C ATOM 1387 NZ LYS A 91 -1.094 20.934 5.895 1.00 22.40 N ATOM 0 H LYS A 91 -3.247 16.229 6.196 1.00 3.23 H new ATOM 0 HA LYS A 91 -5.443 17.360 7.844 1.00 20.15 H new ATOM 0 HB2 LYS A 91 -4.073 19.530 6.991 1.00 2.12 H new ATOM 0 HB3 LYS A 91 -3.880 18.776 8.562 1.00 2.12 H new ATOM 0 HG2 LYS A 91 -1.679 19.138 7.793 1.00 61.21 H new ATOM 0 HG3 LYS A 91 -1.954 17.423 7.556 1.00 61.21 H new ATOM 0 HD2 LYS A 91 -0.840 18.235 5.593 1.00 4.32 H new ATOM 0 HD3 LYS A 91 -2.498 17.894 5.137 1.00 4.32 H new ATOM 0 HE2 LYS A 91 -1.852 20.010 4.151 1.00 33.34 H new ATOM 0 HE3 LYS A 91 -3.053 20.319 5.390 1.00 33.34 H new ATOM 0 HZ1 LYS A 91 -1.216 21.885 5.492 1.00 22.40 H new ATOM 0 HZ2 LYS A 91 -1.298 20.962 6.914 1.00 22.40 H new ATOM 0 HZ3 LYS A 91 -0.114 20.618 5.747 1.00 22.40 H new ATOM 1401 N ASP A 92 -6.536 17.103 5.540 1.00 43.04 N ATOM 1402 CA ASP A 92 -7.296 17.212 4.310 1.00 42.11 C ATOM 1403 C ASP A 92 -8.701 16.665 4.569 1.00 11.02 C ATOM 1404 O ASP A 92 -8.989 16.212 5.680 1.00 41.32 O ATOM 1405 CB ASP A 92 -6.576 16.385 3.227 1.00 4.22 C ATOM 1406 CG ASP A 92 -7.040 16.649 1.815 1.00 44.10 C ATOM 1407 OD1 ASP A 92 -6.844 17.770 1.321 1.00 74.14 O ATOM 1408 OD2 ASP A 92 -7.579 15.725 1.194 1.00 42.32 O ATOM 0 H ASP A 92 -6.938 16.459 6.221 1.00 43.04 H new ATOM 0 HA ASP A 92 -7.374 18.246 3.974 1.00 42.11 H new ATOM 0 HB2 ASP A 92 -5.507 16.587 3.287 1.00 4.22 H new ATOM 0 HB3 ASP A 92 -6.713 15.326 3.447 1.00 4.22 H new ATOM 1413 N ASN A 93 -9.560 16.680 3.553 1.00 24.20 N ATOM 1414 CA ASN A 93 -10.872 16.046 3.638 1.00 52.32 C ATOM 1415 C ASN A 93 -10.825 14.603 3.126 1.00 65.40 C ATOM 1416 O ASN A 93 -11.841 13.910 3.119 1.00 71.21 O ATOM 1417 CB ASN A 93 -11.922 16.841 2.848 1.00 53.23 C ATOM 1418 CG ASN A 93 -12.378 18.110 3.554 1.00 73.43 C ATOM 1419 OD1 ASN A 93 -11.633 18.726 4.313 1.00 42.32 O ATOM 1420 ND2 ASN A 93 -13.612 18.512 3.305 1.00 33.25 N ATOM 0 H ASN A 93 -9.369 17.127 2.656 1.00 24.20 H new ATOM 0 HA ASN A 93 -11.157 16.034 4.690 1.00 52.32 H new ATOM 0 HB2 ASN A 93 -11.510 17.104 1.874 1.00 53.23 H new ATOM 0 HB3 ASN A 93 -12.788 16.204 2.666 1.00 53.23 H new ATOM 0 HD21 ASN A 93 -13.972 19.357 3.748 1.00 33.25 H new ATOM 0 HD22 ASN A 93 -14.204 17.977 2.670 1.00 33.25 H new ATOM 1427 N ASP A 94 -9.638 14.149 2.711 1.00 23.41 N ATOM 1428 CA ASP A 94 -9.458 12.786 2.230 1.00 74.01 C ATOM 1429 C ASP A 94 -8.361 12.109 3.027 1.00 50.22 C ATOM 1430 O ASP A 94 -8.627 11.230 3.838 1.00 53.11 O ATOM 1431 CB ASP A 94 -9.071 12.753 0.742 1.00 50.45 C ATOM 1432 CG ASP A 94 -9.272 11.383 0.129 1.00 74.51 C ATOM 1433 OD1 ASP A 94 -8.427 10.499 0.347 1.00 41.02 O ATOM 1434 OD2 ASP A 94 -10.283 11.188 -0.574 1.00 1.13 O ATOM 0 H ASP A 94 -8.788 14.712 2.701 1.00 23.41 H new ATOM 0 HA ASP A 94 -10.407 12.265 2.354 1.00 74.01 H new ATOM 0 HB2 ASP A 94 -9.668 13.484 0.197 1.00 50.45 H new ATOM 0 HB3 ASP A 94 -8.027 13.048 0.633 1.00 50.45 H new ATOM 1439 N GLY A 95 -7.133 12.569 2.820 1.00 53.14 N ATOM 1440 CA GLY A 95 -5.979 11.876 3.346 1.00 62.03 C ATOM 1441 C GLY A 95 -4.689 12.379 2.748 1.00 23.00 C ATOM 1442 O GLY A 95 -3.833 11.587 2.367 1.00 34.34 O ATOM 0 H GLY A 95 -6.918 13.416 2.293 1.00 53.14 H new ATOM 0 HA2 GLY A 95 -5.947 11.998 4.429 1.00 62.03 H new ATOM 0 HA3 GLY A 95 -6.077 10.809 3.148 1.00 62.03 H new ATOM 1446 N HIS A 96 -4.549 13.698 2.666 1.00 74.31 N ATOM 1447 CA HIS A 96 -3.312 14.312 2.200 1.00 60.51 C ATOM 1448 C HIS A 96 -2.434 14.637 3.390 1.00 4.32 C ATOM 1449 O HIS A 96 -2.880 15.266 4.348 1.00 71.34 O ATOM 1450 CB HIS A 96 -3.578 15.587 1.385 1.00 0.13 C ATOM 1451 CG HIS A 96 -4.058 15.354 -0.021 1.00 61.23 C ATOM 1452 ND1 HIS A 96 -4.869 16.236 -0.697 1.00 24.40 N ATOM 1453 CD2 HIS A 96 -3.803 14.354 -0.886 1.00 54.44 C ATOM 1454 CE1 HIS A 96 -5.082 15.789 -1.917 1.00 4.33 C ATOM 1455 NE2 HIS A 96 -4.449 14.650 -2.062 1.00 72.51 N ATOM 0 H HIS A 96 -5.280 14.364 2.917 1.00 74.31 H new ATOM 0 HA HIS A 96 -2.808 13.602 1.544 1.00 60.51 H new ATOM 0 HB2 HIS A 96 -4.319 16.188 1.911 1.00 0.13 H new ATOM 0 HB3 HIS A 96 -2.660 16.174 1.347 1.00 0.13 H new ATOM 0 HD1 HIS A 96 -5.247 17.102 -0.313 1.00 24.40 H new ATOM 0 HD2 HIS A 96 -3.201 13.479 -0.691 1.00 54.44 H new ATOM 0 HE1 HIS A 96 -5.679 16.279 -2.672 1.00 4.33 H new ATOM 1464 N THR A 97 -1.193 14.206 3.325 1.00 72.11 N ATOM 1465 CA THR A 97 -0.284 14.348 4.440 1.00 52.23 C ATOM 1466 C THR A 97 0.756 15.434 4.172 1.00 64.15 C ATOM 1467 O THR A 97 1.230 15.611 3.045 1.00 13.42 O ATOM 1468 CB THR A 97 0.382 12.991 4.799 1.00 23.43 C ATOM 1469 OG1 THR A 97 1.283 13.144 5.900 1.00 3.12 O ATOM 1470 CG2 THR A 97 1.119 12.379 3.615 1.00 1.42 C ATOM 0 H THR A 97 -0.789 13.752 2.506 1.00 72.11 H new ATOM 0 HA THR A 97 -0.866 14.663 5.306 1.00 52.23 H new ATOM 0 HB THR A 97 -0.423 12.311 5.080 1.00 23.43 H new ATOM 0 HG1 THR A 97 0.772 13.301 6.721 1.00 3.12 H new ATOM 0 HG21 THR A 97 1.568 11.432 3.916 1.00 1.42 H new ATOM 0 HG22 THR A 97 0.417 12.205 2.800 1.00 1.42 H new ATOM 0 HG23 THR A 97 1.901 13.061 3.281 1.00 1.42 H new ATOM 1478 N ASP A 98 1.068 16.180 5.223 1.00 33.24 N ATOM 1479 CA ASP A 98 2.084 17.229 5.166 1.00 61.50 C ATOM 1480 C ASP A 98 3.435 16.663 5.600 1.00 50.42 C ATOM 1481 O ASP A 98 4.489 17.230 5.310 1.00 11.25 O ATOM 1482 CB ASP A 98 1.681 18.379 6.100 1.00 61.11 C ATOM 1483 CG ASP A 98 2.304 19.711 5.739 1.00 25.34 C ATOM 1484 OD1 ASP A 98 3.400 20.023 6.237 1.00 31.35 O ATOM 1485 OD2 ASP A 98 1.671 20.462 4.973 1.00 73.02 O ATOM 0 H ASP A 98 0.627 16.078 6.137 1.00 33.24 H new ATOM 0 HA ASP A 98 2.164 17.601 4.145 1.00 61.50 H new ATOM 0 HB2 ASP A 98 0.596 18.481 6.087 1.00 61.11 H new ATOM 0 HB3 ASP A 98 1.964 18.121 7.120 1.00 61.11 H new ATOM 1490 N ALA A 99 3.383 15.509 6.263 1.00 21.11 N ATOM 1491 CA ALA A 99 4.541 14.928 6.923 1.00 5.13 C ATOM 1492 C ALA A 99 5.428 14.133 5.964 1.00 63.43 C ATOM 1493 O ALA A 99 6.623 13.996 6.214 1.00 51.43 O ATOM 1494 CB ALA A 99 4.079 14.045 8.067 1.00 15.44 C ATOM 0 H ALA A 99 2.533 14.953 6.355 1.00 21.11 H new ATOM 0 HA ALA A 99 5.149 15.748 7.305 1.00 5.13 H new ATOM 0 HB1 ALA A 99 4.946 13.609 8.563 1.00 15.44 H new ATOM 0 HB2 ALA A 99 3.514 14.643 8.783 1.00 15.44 H new ATOM 0 HB3 ALA A 99 3.444 13.249 7.678 1.00 15.44 H new ATOM 1500 N ILE A 100 4.857 13.621 4.868 1.00 32.42 N ATOM 1501 CA ILE A 100 5.632 12.838 3.903 1.00 55.03 C ATOM 1502 C ILE A 100 5.997 13.700 2.694 1.00 43.34 C ATOM 1503 O ILE A 100 5.118 14.168 1.959 1.00 50.41 O ATOM 1504 CB ILE A 100 4.882 11.565 3.419 1.00 34.33 C ATOM 1505 CG1 ILE A 100 4.344 10.781 4.622 1.00 5.35 C ATOM 1506 CG2 ILE A 100 5.816 10.684 2.579 1.00 54.11 C ATOM 1507 CD1 ILE A 100 3.557 9.538 4.270 1.00 10.12 C ATOM 0 H ILE A 100 3.872 13.734 4.630 1.00 32.42 H new ATOM 0 HA ILE A 100 6.534 12.512 4.420 1.00 55.03 H new ATOM 0 HB ILE A 100 4.041 11.868 2.796 1.00 34.33 H new ATOM 0 HG12 ILE A 100 5.183 10.495 5.256 1.00 5.35 H new ATOM 0 HG13 ILE A 100 3.709 11.441 5.213 1.00 5.35 H new ATOM 0 HG21 ILE A 100 5.278 9.796 2.247 1.00 54.11 H new ATOM 0 HG22 ILE A 100 6.162 11.245 1.711 1.00 54.11 H new ATOM 0 HG23 ILE A 100 6.673 10.384 3.182 1.00 54.11 H new ATOM 0 HD11 ILE A 100 3.218 9.051 5.184 1.00 10.12 H new ATOM 0 HD12 ILE A 100 2.694 9.813 3.664 1.00 10.12 H new ATOM 0 HD13 ILE A 100 4.191 8.853 3.708 1.00 10.12 H new ATOM 1519 N SER A 101 7.299 13.920 2.529 1.00 54.43 N ATOM 1520 CA SER A 101 7.849 14.658 1.394 1.00 35.21 C ATOM 1521 C SER A 101 7.791 13.821 0.119 1.00 53.42 C ATOM 1522 O SER A 101 8.337 12.716 0.069 1.00 24.45 O ATOM 1523 CB SER A 101 9.298 15.051 1.692 1.00 44.21 C ATOM 1524 OG SER A 101 9.394 15.723 2.935 1.00 54.51 O ATOM 0 H SER A 101 8.008 13.589 3.184 1.00 54.43 H new ATOM 0 HA SER A 101 7.249 15.555 1.241 1.00 35.21 H new ATOM 0 HB2 SER A 101 9.925 14.160 1.707 1.00 44.21 H new ATOM 0 HB3 SER A 101 9.676 15.693 0.897 1.00 44.21 H new ATOM 0 HG SER A 101 10.329 15.963 3.106 1.00 54.51 H new ATOM 1530 N GLY A 102 7.109 14.350 -0.897 1.00 24.13 N ATOM 1531 CA GLY A 102 6.960 13.640 -2.158 1.00 40.31 C ATOM 1532 C GLY A 102 5.565 13.065 -2.364 1.00 2.01 C ATOM 1533 O GLY A 102 5.204 12.691 -3.480 1.00 71.11 O ATOM 0 H GLY A 102 6.655 15.263 -0.868 1.00 24.13 H new ATOM 0 HA2 GLY A 102 7.190 14.319 -2.979 1.00 40.31 H new ATOM 0 HA3 GLY A 102 7.689 12.831 -2.200 1.00 40.31 H new ATOM 1537 N ALA A 103 4.781 13.001 -1.290 1.00 25.21 N ATOM 1538 CA ALA A 103 3.447 12.422 -1.344 1.00 14.24 C ATOM 1539 C ALA A 103 2.393 13.495 -1.564 1.00 23.41 C ATOM 1540 O ALA A 103 2.140 14.314 -0.681 1.00 60.54 O ATOM 1541 CB ALA A 103 3.161 11.665 -0.063 1.00 50.33 C ATOM 0 H ALA A 103 5.051 13.346 -0.369 1.00 25.21 H new ATOM 0 HA ALA A 103 3.408 11.732 -2.187 1.00 14.24 H new ATOM 0 HB1 ALA A 103 2.161 11.234 -0.110 1.00 50.33 H new ATOM 0 HB2 ALA A 103 3.894 10.868 0.060 1.00 50.33 H new ATOM 0 HB3 ALA A 103 3.222 12.348 0.784 1.00 50.33 H new ATOM 1547 N THR A 104 1.811 13.510 -2.759 1.00 2.22 N ATOM 1548 CA THR A 104 0.742 14.454 -3.090 1.00 20.04 C ATOM 1549 C THR A 104 -0.611 13.749 -3.232 1.00 23.54 C ATOM 1550 O THR A 104 -1.642 14.399 -3.378 1.00 52.12 O ATOM 1551 CB THR A 104 1.055 15.210 -4.396 1.00 51.45 C ATOM 1552 OG1 THR A 104 1.358 14.275 -5.443 1.00 12.41 O ATOM 1553 CG2 THR A 104 2.220 16.173 -4.199 1.00 72.33 C ATOM 0 H THR A 104 2.061 12.877 -3.519 1.00 2.22 H new ATOM 0 HA THR A 104 0.684 15.164 -2.265 1.00 20.04 H new ATOM 0 HB THR A 104 0.176 15.790 -4.678 1.00 51.45 H new ATOM 0 HG1 THR A 104 1.554 14.762 -6.270 1.00 12.41 H new ATOM 0 HG21 THR A 104 2.423 16.695 -5.134 1.00 72.33 H new ATOM 0 HG22 THR A 104 1.966 16.898 -3.426 1.00 72.33 H new ATOM 0 HG23 THR A 104 3.106 15.615 -3.896 1.00 72.33 H new ATOM 1561 N ILE A 105 -0.580 12.418 -3.192 1.00 31.41 N ATOM 1562 CA ILE A 105 -1.782 11.593 -3.326 1.00 22.22 C ATOM 1563 C ILE A 105 -2.413 11.346 -1.935 1.00 31.30 C ATOM 1564 O ILE A 105 -1.787 11.641 -0.908 1.00 24.43 O ATOM 1565 CB ILE A 105 -1.414 10.236 -4.024 1.00 50.43 C ATOM 1566 CG1 ILE A 105 -2.694 9.509 -4.528 1.00 44.11 C ATOM 1567 CG2 ILE A 105 -0.552 9.362 -3.101 1.00 31.33 C ATOM 1568 CD1 ILE A 105 -2.812 8.022 -4.209 1.00 12.55 C ATOM 0 H ILE A 105 0.278 11.880 -3.066 1.00 31.41 H new ATOM 0 HA ILE A 105 -2.514 12.114 -3.943 1.00 22.22 H new ATOM 0 HB ILE A 105 -0.808 10.446 -4.906 1.00 50.43 H new ATOM 0 HG12 ILE A 105 -3.561 10.017 -4.106 1.00 44.11 H new ATOM 0 HG13 ILE A 105 -2.749 9.630 -5.610 1.00 44.11 H new ATOM 0 HG21 ILE A 105 -0.310 8.427 -3.607 1.00 31.33 H new ATOM 0 HG22 ILE A 105 0.369 9.891 -2.855 1.00 31.33 H new ATOM 0 HG23 ILE A 105 -1.102 9.147 -2.185 1.00 31.33 H new ATOM 0 HD11 ILE A 105 -3.747 7.636 -4.615 1.00 12.55 H new ATOM 0 HD12 ILE A 105 -1.974 7.486 -4.656 1.00 12.55 H new ATOM 0 HD13 ILE A 105 -2.799 7.880 -3.128 1.00 12.55 H new ATOM 1580 N LYS A 106 -3.685 10.914 -1.920 1.00 44.51 N ATOM 1581 CA LYS A 106 -4.304 10.256 -0.770 1.00 33.23 C ATOM 1582 C LYS A 106 -3.459 9.078 -0.242 1.00 43.45 C ATOM 1583 O LYS A 106 -3.480 7.957 -0.760 1.00 51.32 O ATOM 1584 CB LYS A 106 -5.727 9.792 -1.133 1.00 2.42 C ATOM 1585 CG LYS A 106 -5.816 9.078 -2.481 1.00 1.03 C ATOM 1586 CD LYS A 106 -7.211 8.601 -2.846 1.00 21.52 C ATOM 1587 CE LYS A 106 -7.697 7.486 -1.931 1.00 75.33 C ATOM 1588 NZ LYS A 106 -8.690 7.974 -0.944 1.00 74.51 N ATOM 0 H LYS A 106 -4.314 11.015 -2.717 1.00 44.51 H new ATOM 0 HA LYS A 106 -4.360 10.986 0.037 1.00 33.23 H new ATOM 0 HB2 LYS A 106 -6.091 9.123 -0.353 1.00 2.42 H new ATOM 0 HB3 LYS A 106 -6.389 10.658 -1.146 1.00 2.42 H new ATOM 0 HG2 LYS A 106 -5.460 9.752 -3.260 1.00 1.03 H new ATOM 0 HG3 LYS A 106 -5.143 8.221 -2.470 1.00 1.03 H new ATOM 0 HD2 LYS A 106 -7.905 9.440 -2.793 1.00 21.52 H new ATOM 0 HD3 LYS A 106 -7.214 8.249 -3.878 1.00 21.52 H new ATOM 0 HE2 LYS A 106 -8.142 6.692 -2.531 1.00 75.33 H new ATOM 0 HE3 LYS A 106 -6.847 7.051 -1.406 1.00 75.33 H new ATOM 0 HZ1 LYS A 106 -8.756 7.299 -0.155 1.00 74.51 H new ATOM 0 HZ2 LYS A 106 -8.392 8.902 -0.582 1.00 74.51 H new ATOM 0 HZ3 LYS A 106 -9.619 8.063 -1.402 1.00 74.51 H new ATOM 1602 N VAL A 107 -2.719 9.374 0.815 1.00 73.31 N ATOM 1603 CA VAL A 107 -1.834 8.425 1.486 1.00 22.23 C ATOM 1604 C VAL A 107 -2.622 7.620 2.537 1.00 34.42 C ATOM 1605 O VAL A 107 -2.139 6.615 3.078 1.00 31.14 O ATOM 1606 CB VAL A 107 -0.623 9.216 2.090 1.00 44.13 C ATOM 1607 CG1 VAL A 107 0.226 8.421 3.063 1.00 33.12 C ATOM 1608 CG2 VAL A 107 0.266 9.683 0.963 1.00 30.34 C ATOM 0 H VAL A 107 -2.714 10.300 1.242 1.00 73.31 H new ATOM 0 HA VAL A 107 -1.435 7.694 0.782 1.00 22.23 H new ATOM 0 HB VAL A 107 -1.055 10.043 2.653 1.00 44.13 H new ATOM 0 HG11 VAL A 107 1.040 9.046 3.431 1.00 33.12 H new ATOM 0 HG12 VAL A 107 -0.390 8.096 3.902 1.00 33.12 H new ATOM 0 HG13 VAL A 107 0.639 7.548 2.557 1.00 33.12 H new ATOM 0 HG21 VAL A 107 1.112 10.235 1.372 1.00 30.34 H new ATOM 0 HG22 VAL A 107 0.631 8.820 0.406 1.00 30.34 H new ATOM 0 HG23 VAL A 107 -0.302 10.332 0.296 1.00 30.34 H new ATOM 1618 N LYS A 108 -3.889 8.034 2.738 1.00 43.00 N ATOM 1619 CA LYS A 108 -4.798 7.403 3.693 1.00 70.11 C ATOM 1620 C LYS A 108 -4.963 5.914 3.405 1.00 44.25 C ATOM 1621 O LYS A 108 -4.899 5.113 4.317 1.00 45.14 O ATOM 1622 CB LYS A 108 -6.167 8.087 3.672 1.00 4.20 C ATOM 1623 CG LYS A 108 -7.044 7.700 4.853 1.00 35.43 C ATOM 1624 CD LYS A 108 -8.464 8.189 4.688 1.00 74.54 C ATOM 1625 CE LYS A 108 -9.337 7.771 5.858 1.00 42.53 C ATOM 1626 NZ LYS A 108 -9.535 6.299 5.914 1.00 60.03 N ATOM 0 H LYS A 108 -4.304 8.819 2.236 1.00 43.00 H new ATOM 0 HA LYS A 108 -4.357 7.516 4.684 1.00 70.11 H new ATOM 0 HB2 LYS A 108 -6.027 9.168 3.670 1.00 4.20 H new ATOM 0 HB3 LYS A 108 -6.681 7.830 2.746 1.00 4.20 H new ATOM 0 HG2 LYS A 108 -7.045 6.616 4.964 1.00 35.43 H new ATOM 0 HG3 LYS A 108 -6.622 8.114 5.769 1.00 35.43 H new ATOM 0 HD2 LYS A 108 -8.468 9.275 4.600 1.00 74.54 H new ATOM 0 HD3 LYS A 108 -8.881 7.793 3.762 1.00 74.54 H new ATOM 0 HE2 LYS A 108 -8.881 8.110 6.788 1.00 42.53 H new ATOM 0 HE3 LYS A 108 -10.306 8.263 5.780 1.00 42.53 H new ATOM 0 HZ1 LYS A 108 -10.255 6.073 6.630 1.00 60.03 H new ATOM 0 HZ2 LYS A 108 -9.851 5.956 4.985 1.00 60.03 H new ATOM 0 HZ3 LYS A 108 -8.638 5.837 6.167 1.00 60.03 H new ATOM 1640 N LYS A 109 -5.086 5.559 2.120 1.00 4.04 N ATOM 1641 CA LYS A 109 -5.294 4.172 1.699 1.00 44.20 C ATOM 1642 C LYS A 109 -4.061 3.286 1.964 1.00 21.11 C ATOM 1643 O LYS A 109 -4.213 2.110 2.279 1.00 12.11 O ATOM 1644 CB LYS A 109 -5.698 4.152 0.218 1.00 42.11 C ATOM 1645 CG LYS A 109 -5.944 2.758 -0.367 1.00 33.41 C ATOM 1646 CD LYS A 109 -6.679 2.822 -1.698 1.00 41.04 C ATOM 1647 CE LYS A 109 -5.854 3.524 -2.769 1.00 52.03 C ATOM 1648 NZ LYS A 109 -6.561 3.576 -4.077 1.00 24.14 N ATOM 0 H LYS A 109 -5.044 6.224 1.347 1.00 4.04 H new ATOM 0 HA LYS A 109 -6.099 3.746 2.298 1.00 44.20 H new ATOM 0 HB2 LYS A 109 -6.604 4.746 0.096 1.00 42.11 H new ATOM 0 HB3 LYS A 109 -4.916 4.641 -0.363 1.00 42.11 H new ATOM 0 HG2 LYS A 109 -4.990 2.248 -0.503 1.00 33.41 H new ATOM 0 HG3 LYS A 109 -6.524 2.165 0.340 1.00 33.41 H new ATOM 0 HD2 LYS A 109 -6.919 1.812 -2.029 1.00 41.04 H new ATOM 0 HD3 LYS A 109 -7.625 3.348 -1.566 1.00 41.04 H new ATOM 0 HE2 LYS A 109 -5.624 4.538 -2.442 1.00 52.03 H new ATOM 0 HE3 LYS A 109 -4.903 3.005 -2.892 1.00 52.03 H new ATOM 0 HZ1 LYS A 109 -6.125 4.304 -4.679 1.00 24.14 H new ATOM 0 HZ2 LYS A 109 -6.491 2.651 -4.547 1.00 24.14 H new ATOM 0 HZ3 LYS A 109 -7.562 3.810 -3.921 1.00 24.14 H new ATOM 1662 N PHE A 110 -2.852 3.859 1.862 1.00 31.12 N ATOM 1663 CA PHE A 110 -1.617 3.129 2.167 1.00 51.51 C ATOM 1664 C PHE A 110 -1.575 2.702 3.641 1.00 1.10 C ATOM 1665 O PHE A 110 -1.402 1.523 3.931 1.00 5.35 O ATOM 1666 CB PHE A 110 -0.375 3.979 1.814 1.00 12.41 C ATOM 1667 CG PHE A 110 0.940 3.356 2.225 1.00 11.13 C ATOM 1668 CD1 PHE A 110 1.547 2.381 1.451 1.00 2.21 C ATOM 1669 CD2 PHE A 110 1.555 3.744 3.405 1.00 73.51 C ATOM 1670 CE1 PHE A 110 2.733 1.798 1.859 1.00 50.21 C ATOM 1671 CE2 PHE A 110 2.738 3.173 3.812 1.00 14.31 C ATOM 1672 CZ PHE A 110 3.329 2.200 3.043 1.00 32.23 C ATOM 0 H PHE A 110 -2.706 4.825 1.571 1.00 31.12 H new ATOM 0 HA PHE A 110 -1.604 2.228 1.554 1.00 51.51 H new ATOM 0 HB2 PHE A 110 -0.361 4.152 0.738 1.00 12.41 H new ATOM 0 HB3 PHE A 110 -0.468 4.954 2.293 1.00 12.41 H new ATOM 0 HD1 PHE A 110 1.091 2.074 0.522 1.00 2.21 H new ATOM 0 HD2 PHE A 110 1.097 4.508 4.016 1.00 73.51 H new ATOM 0 HE1 PHE A 110 3.194 1.030 1.255 1.00 50.21 H new ATOM 0 HE2 PHE A 110 3.202 3.489 4.735 1.00 14.31 H new ATOM 0 HZ PHE A 110 4.257 1.749 3.361 1.00 32.23 H new ATOM 1682 N PHE A 111 -1.742 3.663 4.554 1.00 71.31 N ATOM 1683 CA PHE A 111 -1.655 3.382 5.988 1.00 41.14 C ATOM 1684 C PHE A 111 -2.873 2.612 6.503 1.00 11.42 C ATOM 1685 O PHE A 111 -2.754 1.865 7.465 1.00 2.51 O ATOM 1686 CB PHE A 111 -1.447 4.667 6.796 1.00 43.15 C ATOM 1687 CG PHE A 111 -0.023 5.192 6.788 1.00 51.43 C ATOM 1688 CD1 PHE A 111 0.882 4.780 7.752 1.00 0.43 C ATOM 1689 CD2 PHE A 111 0.405 6.103 5.836 1.00 62.52 C ATOM 1690 CE1 PHE A 111 2.177 5.262 7.771 1.00 52.23 C ATOM 1691 CE2 PHE A 111 1.702 6.587 5.848 1.00 52.12 C ATOM 1692 CZ PHE A 111 2.588 6.164 6.816 1.00 3.11 C ATOM 0 H PHE A 111 -1.937 4.638 4.326 1.00 71.31 H new ATOM 0 HA PHE A 111 -0.783 2.743 6.128 1.00 41.14 H new ATOM 0 HB2 PHE A 111 -2.108 5.439 6.403 1.00 43.15 H new ATOM 0 HB3 PHE A 111 -1.748 4.485 7.828 1.00 43.15 H new ATOM 0 HD1 PHE A 111 0.570 4.069 8.503 1.00 0.43 H new ATOM 0 HD2 PHE A 111 -0.282 6.440 5.074 1.00 62.52 H new ATOM 0 HE1 PHE A 111 2.866 4.931 8.534 1.00 52.23 H new ATOM 0 HE2 PHE A 111 2.020 7.297 5.098 1.00 52.12 H new ATOM 0 HZ PHE A 111 3.601 6.539 6.825 1.00 3.11 H new ATOM 1702 N ASP A 112 -4.027 2.778 5.844 1.00 52.34 N ATOM 1703 CA ASP A 112 -5.245 2.024 6.172 1.00 3.04 C ATOM 1704 C ASP A 112 -5.064 0.541 5.902 1.00 52.22 C ATOM 1705 O ASP A 112 -5.370 -0.289 6.754 1.00 5.42 O ATOM 1706 CB ASP A 112 -6.435 2.522 5.351 1.00 33.15 C ATOM 1707 CG ASP A 112 -7.350 3.445 6.121 1.00 61.31 C ATOM 1708 OD1 ASP A 112 -7.039 4.641 6.241 1.00 55.15 O ATOM 1709 OD2 ASP A 112 -8.410 2.984 6.580 1.00 70.21 O ATOM 0 H ASP A 112 -4.143 3.435 5.072 1.00 52.34 H new ATOM 0 HA ASP A 112 -5.437 2.180 7.233 1.00 3.04 H new ATOM 0 HB2 ASP A 112 -6.065 3.043 4.468 1.00 33.15 H new ATOM 0 HB3 ASP A 112 -7.008 1.665 4.999 1.00 33.15 H new ATOM 1714 N LEU A 113 -4.530 0.229 4.719 1.00 53.20 N ATOM 1715 CA LEU A 113 -4.311 -1.148 4.298 1.00 53.54 C ATOM 1716 C LEU A 113 -3.104 -1.775 4.997 1.00 14.51 C ATOM 1717 O LEU A 113 -3.020 -2.994 5.110 1.00 60.01 O ATOM 1718 CB LEU A 113 -4.160 -1.226 2.772 1.00 0.51 C ATOM 1719 CG LEU A 113 -5.449 -1.505 1.980 1.00 62.23 C ATOM 1720 CD1 LEU A 113 -6.136 -2.735 2.530 1.00 63.45 C ATOM 1721 CD2 LEU A 113 -6.407 -0.317 1.990 1.00 73.31 C ATOM 0 H LEU A 113 -4.240 0.924 4.031 1.00 53.20 H new ATOM 0 HA LEU A 113 -5.188 -1.724 4.593 1.00 53.54 H new ATOM 0 HB2 LEU A 113 -3.737 -0.285 2.420 1.00 0.51 H new ATOM 0 HB3 LEU A 113 -3.437 -2.007 2.538 1.00 0.51 H new ATOM 0 HG LEU A 113 -5.163 -1.677 0.942 1.00 62.23 H new ATOM 0 HD11 LEU A 113 -7.048 -2.926 1.964 1.00 63.45 H new ATOM 0 HD12 LEU A 113 -5.469 -3.593 2.444 1.00 63.45 H new ATOM 0 HD13 LEU A 113 -6.387 -2.574 3.578 1.00 63.45 H new ATOM 0 HD21 LEU A 113 -7.301 -0.565 1.417 1.00 73.31 H new ATOM 0 HD22 LEU A 113 -6.687 -0.084 3.017 1.00 73.31 H new ATOM 0 HD23 LEU A 113 -5.918 0.548 1.542 1.00 73.31 H new ATOM 1733 N ALA A 114 -2.180 -0.935 5.458 1.00 3.43 N ATOM 1734 CA ALA A 114 -1.076 -1.380 6.298 1.00 70.33 C ATOM 1735 C ALA A 114 -1.564 -1.818 7.684 1.00 30.33 C ATOM 1736 O ALA A 114 -1.065 -2.790 8.229 1.00 14.43 O ATOM 1737 CB ALA A 114 -0.036 -0.285 6.413 1.00 32.34 C ATOM 0 H ALA A 114 -2.177 0.066 5.260 1.00 3.43 H new ATOM 0 HA ALA A 114 -0.620 -2.250 5.826 1.00 70.33 H new ATOM 0 HB1 ALA A 114 0.785 -0.628 7.043 1.00 32.34 H new ATOM 0 HB2 ALA A 114 0.345 -0.040 5.422 1.00 32.34 H new ATOM 0 HB3 ALA A 114 -0.489 0.601 6.857 1.00 32.34 H new ATOM 1743 N GLN A 115 -2.574 -1.125 8.224 1.00 61.42 N ATOM 1744 CA GLN A 115 -3.173 -1.486 9.522 1.00 64.14 C ATOM 1745 C GLN A 115 -3.985 -2.777 9.423 1.00 35.02 C ATOM 1746 O GLN A 115 -4.066 -3.548 10.382 1.00 21.32 O ATOM 1747 CB GLN A 115 -4.072 -0.358 10.028 1.00 74.32 C ATOM 1748 CG GLN A 115 -3.306 0.851 10.524 1.00 73.41 C ATOM 1749 CD GLN A 115 -4.202 2.043 10.776 1.00 24.03 C ATOM 1750 OE1 GLN A 115 -4.735 2.206 11.863 1.00 1.52 O ATOM 1751 NE2 GLN A 115 -4.354 2.898 9.780 1.00 53.13 N ATOM 0 H GLN A 115 -2.997 -0.308 7.783 1.00 61.42 H new ATOM 0 HA GLN A 115 -2.356 -1.644 10.226 1.00 64.14 H new ATOM 0 HB2 GLN A 115 -4.741 -0.049 9.225 1.00 74.32 H new ATOM 0 HB3 GLN A 115 -4.698 -0.738 10.836 1.00 74.32 H new ATOM 0 HG2 GLN A 115 -2.783 0.593 11.445 1.00 73.41 H new ATOM 0 HG3 GLN A 115 -2.546 1.121 9.791 1.00 73.41 H new ATOM 0 HE21 GLN A 115 -3.893 2.727 8.887 1.00 53.13 H new ATOM 0 HE22 GLN A 115 -4.933 3.729 9.905 1.00 53.13 H new ATOM 1760 N LYS A 116 -4.567 -3.001 8.246 1.00 41.35 N ATOM 1761 CA LYS A 116 -5.323 -4.213 7.946 1.00 35.34 C ATOM 1762 C LYS A 116 -4.389 -5.411 7.727 1.00 1.34 C ATOM 1763 O LYS A 116 -4.795 -6.556 7.895 1.00 0.25 O ATOM 1764 CB LYS A 116 -6.215 -3.979 6.726 1.00 21.13 C ATOM 1765 CG LYS A 116 -7.311 -2.951 6.972 1.00 4.15 C ATOM 1766 CD LYS A 116 -8.046 -2.562 5.696 1.00 53.05 C ATOM 1767 CE LYS A 116 -8.941 -3.680 5.170 1.00 52.31 C ATOM 1768 NZ LYS A 116 -10.065 -3.976 6.095 1.00 11.31 N ATOM 0 H LYS A 116 -4.526 -2.341 7.469 1.00 41.35 H new ATOM 0 HA LYS A 116 -5.956 -4.449 8.802 1.00 35.34 H new ATOM 0 HB2 LYS A 116 -5.597 -3.649 5.891 1.00 21.13 H new ATOM 0 HB3 LYS A 116 -6.672 -4.924 6.431 1.00 21.13 H new ATOM 0 HG2 LYS A 116 -8.026 -3.352 7.691 1.00 4.15 H new ATOM 0 HG3 LYS A 116 -6.874 -2.059 7.421 1.00 4.15 H new ATOM 0 HD2 LYS A 116 -8.652 -1.676 5.886 1.00 53.05 H new ATOM 0 HD3 LYS A 116 -7.319 -2.293 4.930 1.00 53.05 H new ATOM 0 HE2 LYS A 116 -9.339 -3.398 4.195 1.00 52.31 H new ATOM 0 HE3 LYS A 116 -8.346 -4.581 5.023 1.00 52.31 H new ATOM 0 HZ1 LYS A 116 -10.773 -4.560 5.606 1.00 11.31 H new ATOM 0 HZ2 LYS A 116 -9.706 -4.490 6.925 1.00 11.31 H new ATOM 0 HZ3 LYS A 116 -10.505 -3.085 6.403 1.00 11.31 H new ATOM 1782 N ALA A 117 -3.150 -5.134 7.311 1.00 52.23 N ATOM 1783 CA ALA A 117 -2.137 -6.170 7.113 1.00 53.03 C ATOM 1784 C ALA A 117 -1.669 -6.769 8.445 1.00 61.32 C ATOM 1785 O ALA A 117 -1.619 -7.991 8.595 1.00 34.14 O ATOM 1786 CB ALA A 117 -0.956 -5.598 6.344 1.00 32.35 C ATOM 0 H ALA A 117 -2.824 -4.190 7.103 1.00 52.23 H new ATOM 0 HA ALA A 117 -2.589 -6.976 6.534 1.00 53.03 H new ATOM 0 HB1 ALA A 117 -0.205 -6.375 6.200 1.00 32.35 H new ATOM 0 HB2 ALA A 117 -1.295 -5.236 5.373 1.00 32.35 H new ATOM 0 HB3 ALA A 117 -0.521 -4.772 6.907 1.00 32.35 H new ATOM 1792 N LEU A 118 -1.377 -5.905 9.423 1.00 13.22 N ATOM 1793 CA LEU A 118 -0.843 -6.336 10.721 1.00 52.34 C ATOM 1794 C LEU A 118 -1.947 -6.618 11.749 1.00 35.11 C ATOM 1795 O LEU A 118 -1.707 -6.532 12.957 1.00 35.33 O ATOM 1796 CB LEU A 118 0.116 -5.275 11.287 1.00 43.22 C ATOM 1797 CG LEU A 118 1.439 -5.128 10.551 1.00 30.53 C ATOM 1798 CD1 LEU A 118 1.444 -3.890 9.694 1.00 62.22 C ATOM 1799 CD2 LEU A 118 2.590 -5.089 11.525 1.00 52.12 C ATOM 0 H LEU A 118 -1.502 -4.896 9.340 1.00 13.22 H new ATOM 0 HA LEU A 118 -0.307 -7.268 10.542 1.00 52.34 H new ATOM 0 HB2 LEU A 118 -0.392 -4.311 11.281 1.00 43.22 H new ATOM 0 HB3 LEU A 118 0.325 -5.518 12.329 1.00 43.22 H new ATOM 0 HG LEU A 118 1.558 -5.996 9.903 1.00 30.53 H new ATOM 0 HD11 LEU A 118 2.401 -3.808 9.179 1.00 62.22 H new ATOM 0 HD12 LEU A 118 0.641 -3.952 8.960 1.00 62.22 H new ATOM 0 HD13 LEU A 118 1.294 -3.012 10.322 1.00 62.22 H new ATOM 0 HD21 LEU A 118 3.527 -4.984 10.977 1.00 52.12 H new ATOM 0 HD22 LEU A 118 2.467 -4.242 12.200 1.00 52.12 H new ATOM 0 HD23 LEU A 118 2.609 -6.013 12.102 1.00 52.12 H new ATOM 1811 N LYS A 119 -3.142 -6.987 11.275 1.00 20.33 N ATOM 1812 CA LYS A 119 -4.288 -7.243 12.156 1.00 64.40 C ATOM 1813 C LYS A 119 -4.103 -8.489 13.034 1.00 21.13 C ATOM 1814 O LYS A 119 -4.587 -8.529 14.165 1.00 25.42 O ATOM 1815 CB LYS A 119 -5.586 -7.353 11.348 1.00 55.12 C ATOM 1816 CG LYS A 119 -5.633 -8.494 10.324 1.00 52.32 C ATOM 1817 CD LYS A 119 -7.053 -8.778 9.850 1.00 52.42 C ATOM 1818 CE LYS A 119 -7.698 -7.569 9.187 1.00 10.44 C ATOM 1819 NZ LYS A 119 -9.120 -7.819 8.847 1.00 12.23 N ATOM 0 H LYS A 119 -3.342 -7.116 10.283 1.00 20.33 H new ATOM 0 HA LYS A 119 -4.354 -6.387 12.827 1.00 64.40 H new ATOM 0 HB2 LYS A 119 -6.416 -7.478 12.043 1.00 55.12 H new ATOM 0 HB3 LYS A 119 -5.748 -6.411 10.824 1.00 55.12 H new ATOM 0 HG2 LYS A 119 -5.009 -8.238 9.467 1.00 52.32 H new ATOM 0 HG3 LYS A 119 -5.211 -9.396 10.767 1.00 52.32 H new ATOM 0 HD2 LYS A 119 -7.038 -9.610 9.146 1.00 52.42 H new ATOM 0 HD3 LYS A 119 -7.661 -9.090 10.699 1.00 52.42 H new ATOM 0 HE2 LYS A 119 -7.630 -6.710 9.854 1.00 10.44 H new ATOM 0 HE3 LYS A 119 -7.147 -7.314 8.281 1.00 10.44 H new ATOM 0 HZ1 LYS A 119 -9.523 -6.972 8.398 1.00 12.23 H new ATOM 0 HZ2 LYS A 119 -9.184 -8.623 8.191 1.00 12.23 H new ATOM 0 HZ3 LYS A 119 -9.651 -8.037 9.714 1.00 12.23 H new ATOM 1833 N ASP A 120 -3.410 -9.498 12.516 1.00 2.54 N ATOM 1834 CA ASP A 120 -3.186 -10.728 13.268 1.00 14.51 C ATOM 1835 C ASP A 120 -1.777 -10.802 13.829 1.00 63.34 C ATOM 1836 O ASP A 120 -1.542 -11.501 14.818 1.00 52.44 O ATOM 1837 CB ASP A 120 -3.435 -11.942 12.387 1.00 31.40 C ATOM 1838 CG ASP A 120 -4.869 -12.080 11.951 1.00 71.13 C ATOM 1839 OD1 ASP A 120 -5.725 -12.400 12.800 1.00 51.10 O ATOM 1840 OD2 ASP A 120 -5.137 -11.884 10.750 1.00 62.11 O ATOM 0 H ASP A 120 -2.996 -9.489 11.584 1.00 2.54 H new ATOM 0 HA ASP A 120 -3.888 -10.723 14.102 1.00 14.51 H new ATOM 0 HB2 ASP A 120 -2.799 -11.877 11.504 1.00 31.40 H new ATOM 0 HB3 ASP A 120 -3.139 -12.841 12.928 1.00 31.40 H new ATOM 1845 N ALA A 121 -0.859 -10.055 13.187 1.00 52.43 N ATOM 1846 CA ALA A 121 0.585 -10.043 13.496 1.00 60.11 C ATOM 1847 C ALA A 121 1.258 -11.437 13.478 1.00 24.34 C ATOM 1848 O ALA A 121 2.274 -11.655 14.147 1.00 3.22 O ATOM 1849 CB ALA A 121 0.835 -9.317 14.812 1.00 24.24 C ATOM 0 H ALA A 121 -1.106 -9.428 12.421 1.00 52.43 H new ATOM 0 HA ALA A 121 1.064 -9.497 12.683 1.00 60.11 H new ATOM 0 HB1 ALA A 121 1.903 -9.315 15.029 1.00 24.24 H new ATOM 0 HB2 ALA A 121 0.478 -8.290 14.734 1.00 24.24 H new ATOM 0 HB3 ALA A 121 0.303 -9.826 15.615 1.00 24.24 H new ATOM 1855 N GLU A 122 0.728 -12.347 12.651 1.00 42.53 N ATOM 1856 CA GLU A 122 1.268 -13.703 12.524 1.00 22.11 C ATOM 1857 C GLU A 122 1.280 -14.182 11.070 1.00 23.32 C ATOM 1858 O GLU A 122 1.542 -15.356 10.796 1.00 11.14 O ATOM 1859 CB GLU A 122 0.466 -14.670 13.421 1.00 11.52 C ATOM 1860 CG GLU A 122 -1.064 -14.575 13.317 1.00 24.11 C ATOM 1861 CD GLU A 122 -1.672 -15.255 12.096 1.00 63.40 C ATOM 1862 OE1 GLU A 122 -1.933 -16.471 12.164 1.00 2.35 O ATOM 1863 OE2 GLU A 122 -1.922 -14.573 11.079 1.00 1.22 O ATOM 0 H GLU A 122 -0.080 -12.165 12.056 1.00 42.53 H new ATOM 0 HA GLU A 122 2.306 -13.687 12.856 1.00 22.11 H new ATOM 0 HB2 GLU A 122 0.764 -15.690 13.178 1.00 11.52 H new ATOM 0 HB3 GLU A 122 0.751 -14.493 14.458 1.00 11.52 H new ATOM 0 HG2 GLU A 122 -1.502 -15.014 14.214 1.00 24.11 H new ATOM 0 HG3 GLU A 122 -1.347 -13.523 13.306 1.00 24.11 H new ATOM 1870 N LYS A 123 1.011 -13.265 10.147 1.00 44.34 N ATOM 1871 CA LYS A 123 0.750 -13.627 8.757 1.00 61.23 C ATOM 1872 C LYS A 123 2.050 -13.736 7.977 1.00 54.42 C ATOM 1873 O LYS A 123 2.986 -12.976 8.223 1.00 54.44 O ATOM 1874 CB LYS A 123 -0.162 -12.592 8.079 1.00 10.53 C ATOM 1875 CG LYS A 123 -1.234 -12.007 8.998 1.00 54.13 C ATOM 1876 CD LYS A 123 -2.389 -11.393 8.226 1.00 62.33 C ATOM 1877 CE LYS A 123 -3.270 -12.469 7.603 1.00 32.54 C ATOM 1878 NZ LYS A 123 -3.806 -13.404 8.631 1.00 42.15 N ATOM 0 H LYS A 123 0.968 -12.264 10.336 1.00 44.34 H new ATOM 0 HA LYS A 123 0.248 -14.595 8.759 1.00 61.23 H new ATOM 0 HB2 LYS A 123 0.453 -11.779 7.693 1.00 10.53 H new ATOM 0 HB3 LYS A 123 -0.648 -13.058 7.222 1.00 10.53 H new ATOM 0 HG2 LYS A 123 -1.615 -12.791 9.652 1.00 54.13 H new ATOM 0 HG3 LYS A 123 -0.785 -11.248 9.638 1.00 54.13 H new ATOM 0 HD2 LYS A 123 -2.986 -10.772 8.893 1.00 62.33 H new ATOM 0 HD3 LYS A 123 -2.001 -10.740 7.445 1.00 62.33 H new ATOM 0 HE2 LYS A 123 -4.097 -11.999 7.071 1.00 32.54 H new ATOM 0 HE3 LYS A 123 -2.695 -13.029 6.866 1.00 32.54 H new ATOM 0 HZ1 LYS A 123 -4.599 -13.944 8.229 1.00 42.15 H new ATOM 0 HZ2 LYS A 123 -3.056 -14.060 8.929 1.00 42.15 H new ATOM 0 HZ3 LYS A 123 -4.138 -12.862 9.454 1.00 42.15 H new