USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 56 ASN : amide:sc= 1.77 K(o=3.1,f=-6!) USER MOD Set 1.2: A 58 SER OG : rot 77:sc= 1.32 USER MOD Set 2.1: A 41 MET CE :methyl 154:sc= -0.218 (180deg=-0.886) USER MOD Set 2.2: A 49 MET CE :methyl -171:sc= -2.8! (180deg=-3.09) USER MOD Single : A 14 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.43) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -175:sc= -0.42 USER MOD Single : A 19 TYR OH : rot 15:sc= 1.2 USER MOD Single : A 26 SER OG : rot -170:sc= -0.823 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.14) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.00223 K(o=0.0022,f=-4.5!) USER MOD Single : A 44 SER OG : rot 71:sc= 0.142 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= 1.23 (180deg=0.284) USER MOD Single : A 55 MET CE :methyl 153:sc= -0.592 (180deg=-2.53!) USER MOD Single : A 62 THR OG1 : rot 61:sc= 0.861 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.087 USER MOD Single : A 69 LYS NZ :NH3+ -104:sc= 1.28 (180deg=-0.0571) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -99:sc= -0.425 USER MOD Single : A 85 SER OG : rot 140:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.987 0.014 -1.283 1.00 0.88 N ATOM 50 CA ASN A 14 11.317 -0.314 -0.028 1.00 0.81 C ATOM 51 C ASN A 14 9.819 -0.384 -0.279 1.00 0.64 C ATOM 52 O ASN A 14 9.084 -1.084 0.417 1.00 0.66 O ATOM 53 CB ASN A 14 11.651 0.715 1.062 1.00 0.96 C ATOM 54 CG ASN A 14 10.430 1.407 1.655 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.783 2.228 1.007 1.00 2.24 O ATOM 56 ND2 ASN A 14 10.121 1.099 2.906 1.00 2.24 N ATOM 0 HA ASN A 14 11.669 -1.281 0.331 1.00 0.81 H new ATOM 0 HB2 ASN A 14 12.198 0.217 1.862 1.00 0.96 H new ATOM 0 HB3 ASN A 14 12.316 1.470 0.643 1.00 0.96 H new ATOM 0 HD21 ASN A 14 9.325 1.547 3.360 1.00 2.24 H new ATOM 0 HD22 ASN A 14 10.679 0.413 3.415 1.00 2.24 H new ATOM 63 N LEU A 15 9.402 0.331 -1.318 1.00 0.56 N ATOM 64 CA LEU A 15 8.013 0.380 -1.747 1.00 0.48 C ATOM 65 C LEU A 15 7.491 -1.023 -2.035 1.00 0.37 C ATOM 66 O LEU A 15 6.294 -1.289 -1.921 1.00 0.33 O ATOM 67 CB LEU A 15 7.898 1.252 -2.995 1.00 0.58 C ATOM 68 CG LEU A 15 6.663 2.151 -3.051 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.039 3.539 -3.530 1.00 0.91 C ATOM 70 CD2 LEU A 15 5.615 1.563 -3.974 1.00 0.60 C ATOM 0 H LEU A 15 10.027 0.898 -1.891 1.00 0.56 H new ATOM 0 HA LEU A 15 7.409 0.810 -0.948 1.00 0.48 H new ATOM 0 HB2 LEU A 15 8.787 1.879 -3.064 1.00 0.58 H new ATOM 0 HB3 LEU A 15 7.896 0.605 -3.872 1.00 0.58 H new ATOM 0 HG LEU A 15 6.250 2.219 -2.044 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.148 4.166 -3.564 1.00 0.91 H new ATOM 0 HD12 LEU A 15 7.765 3.976 -2.844 1.00 0.91 H new ATOM 0 HD13 LEU A 15 7.475 3.474 -4.527 1.00 0.91 H new ATOM 0 HD21 LEU A 15 4.744 2.218 -4.000 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.027 1.468 -4.979 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.319 0.580 -3.609 1.00 0.60 H new ATOM 82 N ARG A 16 8.407 -1.916 -2.396 1.00 0.36 N ATOM 83 CA ARG A 16 8.067 -3.296 -2.694 1.00 0.33 C ATOM 84 C ARG A 16 7.395 -3.949 -1.490 1.00 0.27 C ATOM 85 O ARG A 16 6.439 -4.706 -1.640 1.00 0.28 O ATOM 86 CB ARG A 16 9.327 -4.080 -3.067 1.00 0.40 C ATOM 87 CG ARG A 16 9.048 -5.397 -3.767 1.00 0.65 C ATOM 88 CD ARG A 16 9.313 -5.307 -5.265 1.00 1.29 C ATOM 89 NE ARG A 16 8.163 -4.771 -5.995 1.00 2.05 N ATOM 90 CZ ARG A 16 7.027 -5.438 -6.204 1.00 2.78 C ATOM 91 NH1 ARG A 16 6.881 -6.688 -5.772 1.00 3.11 N ATOM 92 NH2 ARG A 16 6.032 -4.848 -6.848 1.00 3.67 N ATOM 0 H ARG A 16 9.400 -1.702 -2.489 1.00 0.36 H new ATOM 0 HA ARG A 16 7.375 -3.307 -3.536 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.950 -3.461 -3.713 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.902 -4.276 -2.162 1.00 0.40 H new ATOM 0 HG2 ARG A 16 9.672 -6.179 -3.334 1.00 0.65 H new ATOM 0 HG3 ARG A 16 8.011 -5.686 -3.598 1.00 0.65 H new ATOM 0 HD2 ARG A 16 10.182 -4.673 -5.442 1.00 1.29 H new ATOM 0 HD3 ARG A 16 9.557 -6.297 -5.650 1.00 1.29 H new ATOM 0 HE ARG A 16 8.235 -3.825 -6.369 1.00 2.05 H new ATOM 0 HH11 ARG A 16 7.643 -7.148 -5.274 1.00 3.11 H new ATOM 0 HH12 ARG A 16 6.007 -7.186 -5.939 1.00 3.11 H new ATOM 0 HH21 ARG A 16 6.137 -3.890 -7.181 1.00 3.67 H new ATOM 0 HH22 ARG A 16 5.160 -5.352 -7.011 1.00 3.67 H new ATOM 106 N MET A 17 7.890 -3.634 -0.295 1.00 0.28 N ATOM 107 CA MET A 17 7.326 -4.181 0.936 1.00 0.32 C ATOM 108 C MET A 17 5.967 -3.561 1.212 1.00 0.25 C ATOM 109 O MET A 17 5.057 -4.233 1.697 1.00 0.27 O ATOM 110 CB MET A 17 8.258 -3.940 2.121 1.00 0.45 C ATOM 111 CG MET A 17 9.248 -5.065 2.348 1.00 0.81 C ATOM 112 SD MET A 17 10.832 -4.762 1.541 1.00 1.96 S ATOM 113 CE MET A 17 10.843 -6.100 0.350 1.00 2.93 C ATOM 0 H MET A 17 8.679 -3.004 -0.153 1.00 0.28 H new ATOM 0 HA MET A 17 7.209 -5.257 0.805 1.00 0.32 H new ATOM 0 HB2 MET A 17 8.806 -3.011 1.960 1.00 0.45 H new ATOM 0 HB3 MET A 17 7.660 -3.805 3.022 1.00 0.45 H new ATOM 0 HG2 MET A 17 9.408 -5.194 3.418 1.00 0.81 H new ATOM 0 HG3 MET A 17 8.826 -5.998 1.974 1.00 0.81 H new ATOM 0 HE1 MET A 17 11.761 -6.058 -0.236 1.00 2.93 H new ATOM 0 HE2 MET A 17 10.790 -7.054 0.874 1.00 2.93 H new ATOM 0 HE3 MET A 17 9.984 -6.003 -0.314 1.00 2.93 H new ATOM 123 N THR A 18 5.835 -2.285 0.875 1.00 0.21 N ATOM 124 CA THR A 18 4.585 -1.562 1.055 1.00 0.20 C ATOM 125 C THR A 18 3.484 -2.221 0.235 1.00 0.19 C ATOM 126 O THR A 18 2.417 -2.556 0.752 1.00 0.23 O ATOM 127 CB THR A 18 4.744 -0.099 0.602 1.00 0.27 C ATOM 128 OG1 THR A 18 6.065 0.360 0.920 1.00 0.38 O ATOM 129 CG2 THR A 18 3.699 0.806 1.243 1.00 0.30 C ATOM 0 H THR A 18 6.587 -1.726 0.472 1.00 0.21 H new ATOM 0 HA THR A 18 4.321 -1.585 2.112 1.00 0.20 H new ATOM 0 HB THR A 18 4.592 -0.057 -0.477 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.141 1.313 0.703 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.844 1.830 0.899 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.702 0.466 0.962 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.802 0.770 2.327 1.00 0.30 H new ATOM 137 N TYR A 19 3.775 -2.412 -1.043 1.00 0.21 N ATOM 138 CA TYR A 19 2.847 -3.041 -1.974 1.00 0.28 C ATOM 139 C TYR A 19 2.588 -4.495 -1.578 1.00 0.31 C ATOM 140 O TYR A 19 1.462 -4.981 -1.685 1.00 0.36 O ATOM 141 CB TYR A 19 3.429 -2.951 -3.401 1.00 0.35 C ATOM 142 CG TYR A 19 2.671 -3.720 -4.466 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.586 -3.155 -5.123 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.071 -4.996 -4.833 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.919 -3.848 -6.113 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.410 -5.698 -5.816 1.00 0.59 C ATOM 147 CZ TYR A 19 1.337 -5.117 -6.455 1.00 0.52 C ATOM 148 OH TYR A 19 0.686 -5.814 -7.446 1.00 0.61 O ATOM 0 H TYR A 19 4.661 -2.136 -1.465 1.00 0.21 H new ATOM 0 HA TYR A 19 1.891 -2.519 -1.944 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.467 -1.902 -3.693 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.457 -3.313 -3.379 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.260 -2.161 -4.856 1.00 0.32 H new ATOM 0 HD2 TYR A 19 3.918 -5.448 -4.338 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.075 -3.399 -6.616 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.730 -6.694 -6.083 1.00 0.59 H new ATOM 0 HH TYR A 19 0.121 -5.200 -7.961 1.00 0.61 H new ATOM 158 N GLU A 20 3.630 -5.181 -1.125 1.00 0.32 N ATOM 159 CA GLU A 20 3.511 -6.575 -0.733 1.00 0.40 C ATOM 160 C GLU A 20 2.622 -6.733 0.508 1.00 0.35 C ATOM 161 O GLU A 20 1.746 -7.599 0.541 1.00 0.35 O ATOM 162 CB GLU A 20 4.903 -7.167 -0.511 1.00 0.51 C ATOM 163 CG GLU A 20 4.939 -8.291 0.494 1.00 1.21 C ATOM 164 CD GLU A 20 6.207 -9.115 0.408 1.00 1.65 C ATOM 165 OE1 GLU A 20 7.282 -8.604 0.792 1.00 2.35 O ATOM 166 OE2 GLU A 20 6.143 -10.284 -0.031 1.00 1.93 O ATOM 0 H GLU A 20 4.567 -4.792 -1.021 1.00 0.32 H new ATOM 0 HA GLU A 20 3.025 -7.127 -1.538 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.287 -7.533 -1.463 1.00 0.51 H new ATOM 0 HB3 GLU A 20 5.575 -6.375 -0.179 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.847 -7.877 1.498 1.00 1.21 H new ATOM 0 HG3 GLU A 20 4.078 -8.940 0.337 1.00 1.21 H new ATOM 173 N ARG A 21 2.827 -5.883 1.513 1.00 0.33 N ATOM 174 CA ARG A 21 2.025 -5.937 2.735 1.00 0.32 C ATOM 175 C ARG A 21 0.561 -5.641 2.418 1.00 0.26 C ATOM 176 O ARG A 21 -0.348 -6.194 3.042 1.00 0.29 O ATOM 177 CB ARG A 21 2.564 -4.952 3.781 1.00 0.34 C ATOM 178 CG ARG A 21 2.124 -5.261 5.206 1.00 0.48 C ATOM 179 CD ARG A 21 3.091 -6.203 5.909 1.00 0.87 C ATOM 180 NE ARG A 21 2.429 -7.422 6.384 1.00 1.73 N ATOM 181 CZ ARG A 21 2.026 -7.615 7.642 1.00 2.60 C ATOM 182 NH1 ARG A 21 2.218 -6.666 8.551 1.00 2.99 N ATOM 183 NH2 ARG A 21 1.424 -8.746 7.984 1.00 3.57 N ATOM 0 H ARG A 21 3.538 -5.152 1.506 1.00 0.33 H new ATOM 0 HA ARG A 21 2.093 -6.942 3.151 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.653 -4.953 3.739 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.236 -3.946 3.520 1.00 0.34 H new ATOM 0 HG2 ARG A 21 2.047 -4.332 5.771 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.130 -5.708 5.190 1.00 0.48 H new ATOM 0 HD2 ARG A 21 3.896 -6.472 5.225 1.00 0.87 H new ATOM 0 HD3 ARG A 21 3.549 -5.688 6.753 1.00 0.87 H new ATOM 0 HE ARG A 21 2.266 -8.170 5.710 1.00 1.73 H new ATOM 0 HH11 ARG A 21 2.673 -5.792 8.287 1.00 2.99 H new ATOM 0 HH12 ARG A 21 1.911 -6.811 9.513 1.00 2.99 H new ATOM 0 HH21 ARG A 21 1.268 -9.472 7.285 1.00 3.57 H new ATOM 0 HH22 ARG A 21 1.118 -8.890 8.946 1.00 3.57 H new ATOM 197 N LEU A 22 0.336 -4.787 1.423 1.00 0.22 N ATOM 198 CA LEU A 22 -1.017 -4.439 0.999 1.00 0.20 C ATOM 199 C LEU A 22 -1.642 -5.614 0.273 1.00 0.23 C ATOM 200 O LEU A 22 -2.832 -5.880 0.413 1.00 0.24 O ATOM 201 CB LEU A 22 -0.972 -3.218 0.079 1.00 0.22 C ATOM 202 CG LEU A 22 -0.929 -1.871 0.785 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.163 -0.857 -0.048 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.336 -1.393 1.050 1.00 0.33 C ATOM 0 H LEU A 22 1.075 -4.323 0.895 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.620 -4.200 1.875 1.00 0.20 H new ATOM 0 HB2 LEU A 22 -0.096 -3.301 -0.564 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.847 -3.241 -0.571 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.410 -1.983 1.737 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.143 0.100 0.473 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.857 -1.209 -0.201 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.654 -0.735 -1.014 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.303 -0.428 1.556 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.869 -1.289 0.105 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.853 -2.116 1.681 1.00 0.33 H new ATOM 216 N ARG A 23 -0.827 -6.329 -0.486 1.00 0.27 N ATOM 217 CA ARG A 23 -1.289 -7.497 -1.220 1.00 0.32 C ATOM 218 C ARG A 23 -1.612 -8.620 -0.236 1.00 0.31 C ATOM 219 O ARG A 23 -2.579 -9.364 -0.410 1.00 0.34 O ATOM 220 CB ARG A 23 -0.208 -7.941 -2.218 1.00 0.39 C ATOM 221 CG ARG A 23 -0.349 -9.373 -2.706 1.00 0.82 C ATOM 222 CD ARG A 23 0.857 -9.798 -3.525 1.00 1.40 C ATOM 223 NE ARG A 23 1.842 -10.530 -2.725 1.00 1.98 N ATOM 224 CZ ARG A 23 3.043 -10.893 -3.173 1.00 2.61 C ATOM 225 NH1 ARG A 23 3.427 -10.571 -4.396 1.00 3.01 N ATOM 226 NH2 ARG A 23 3.869 -11.571 -2.384 1.00 3.33 N ATOM 0 H ARG A 23 0.163 -6.120 -0.610 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.193 -7.250 -1.777 1.00 0.32 H new ATOM 0 HB2 ARG A 23 -0.231 -7.273 -3.079 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.770 -7.825 -1.750 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -0.465 -10.041 -1.852 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.252 -9.467 -3.309 1.00 0.82 H new ATOM 0 HD2 ARG A 23 0.528 -10.424 -4.354 1.00 1.40 H new ATOM 0 HD3 ARG A 23 1.328 -8.916 -3.959 1.00 1.40 H new ATOM 0 HE ARG A 23 1.593 -10.777 -1.767 1.00 1.98 H new ATOM 0 HH11 ARG A 23 2.802 -10.041 -5.004 1.00 3.01 H new ATOM 0 HH12 ARG A 23 4.348 -10.852 -4.732 1.00 3.01 H new ATOM 0 HH21 ARG A 23 3.584 -11.814 -1.435 1.00 3.33 H new ATOM 0 HH22 ARG A 23 4.789 -11.849 -2.727 1.00 3.33 H new ATOM 240 N GLU A 24 -0.796 -8.714 0.804 1.00 0.31 N ATOM 241 CA GLU A 24 -0.961 -9.723 1.841 1.00 0.33 C ATOM 242 C GLU A 24 -2.192 -9.417 2.691 1.00 0.28 C ATOM 243 O GLU A 24 -2.918 -10.318 3.105 1.00 0.30 O ATOM 244 CB GLU A 24 0.298 -9.758 2.713 1.00 0.38 C ATOM 245 CG GLU A 24 0.227 -10.721 3.885 1.00 0.61 C ATOM 246 CD GLU A 24 1.140 -10.306 5.023 1.00 1.63 C ATOM 247 OE1 GLU A 24 2.146 -9.609 4.763 1.00 2.24 O ATOM 248 OE2 GLU A 24 0.848 -10.662 6.180 1.00 2.36 O ATOM 0 H GLU A 24 -0.001 -8.093 0.953 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.106 -10.699 1.377 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.150 -10.028 2.088 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.488 -8.755 3.095 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -0.800 -10.776 4.247 1.00 0.61 H new ATOM 0 HG3 GLU A 24 0.500 -11.721 3.548 1.00 0.61 H new ATOM 255 N LEU A 25 -2.424 -8.135 2.940 1.00 0.24 N ATOM 256 CA LEU A 25 -3.561 -7.710 3.741 1.00 0.22 C ATOM 257 C LEU A 25 -4.834 -7.816 2.903 1.00 0.18 C ATOM 258 O LEU A 25 -5.896 -8.194 3.400 1.00 0.20 O ATOM 259 CB LEU A 25 -3.357 -6.268 4.217 1.00 0.22 C ATOM 260 CG LEU A 25 -3.686 -5.992 5.692 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.448 -4.690 5.853 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.460 -7.143 6.320 1.00 0.28 C ATOM 0 H LEU A 25 -1.839 -7.372 2.598 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.652 -8.353 4.616 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.318 -5.992 4.039 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.971 -5.612 3.600 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.736 -5.900 6.219 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.666 -4.524 6.908 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.845 -3.866 5.473 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.382 -4.744 5.294 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.674 -6.911 7.363 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.396 -7.289 5.781 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.864 -8.054 6.266 1.00 0.28 H new ATOM 274 N SER A 26 -4.703 -7.496 1.619 1.00 0.17 N ATOM 275 CA SER A 26 -5.812 -7.559 0.680 1.00 0.16 C ATOM 276 C SER A 26 -6.294 -8.996 0.525 1.00 0.19 C ATOM 277 O SER A 26 -7.480 -9.253 0.318 1.00 0.22 O ATOM 278 CB SER A 26 -5.374 -6.990 -0.675 1.00 0.19 C ATOM 279 OG SER A 26 -5.970 -5.728 -0.927 1.00 0.86 O ATOM 0 H SER A 26 -3.825 -7.186 1.203 1.00 0.17 H new ATOM 0 HA SER A 26 -6.639 -6.961 1.064 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.289 -6.891 -0.695 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.646 -7.687 -1.468 1.00 0.19 H new ATOM 0 HG SER A 26 -5.800 -5.466 -1.856 1.00 0.86 H new ATOM 285 N LEU A 27 -5.368 -9.935 0.644 1.00 0.23 N ATOM 286 CA LEU A 27 -5.708 -11.341 0.526 1.00 0.28 C ATOM 287 C LEU A 27 -6.344 -11.839 1.819 1.00 0.29 C ATOM 288 O LEU A 27 -7.219 -12.709 1.800 1.00 0.34 O ATOM 289 CB LEU A 27 -4.457 -12.162 0.204 1.00 0.33 C ATOM 290 CG LEU A 27 -4.389 -12.727 -1.217 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.799 -11.673 -2.233 1.00 0.54 C ATOM 292 CD2 LEU A 27 -2.987 -13.231 -1.516 1.00 0.60 C ATOM 0 H LEU A 27 -4.381 -9.749 0.821 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.425 -11.460 -0.286 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.580 -11.536 0.370 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.396 -12.991 0.909 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.085 -13.563 -1.289 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.744 -12.094 -3.237 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.820 -11.350 -2.030 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -4.127 -10.818 -2.161 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -2.952 -13.630 -2.530 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -2.278 -12.408 -1.426 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -2.724 -14.016 -0.808 1.00 0.60 H new ATOM 304 N ASN A 28 -5.899 -11.274 2.937 1.00 0.28 N ATOM 305 CA ASN A 28 -6.414 -11.653 4.249 1.00 0.35 C ATOM 306 C ASN A 28 -7.818 -11.101 4.478 1.00 0.35 C ATOM 307 O ASN A 28 -8.755 -11.860 4.698 1.00 0.42 O ATOM 308 CB ASN A 28 -5.480 -11.171 5.364 1.00 0.41 C ATOM 309 CG ASN A 28 -5.447 -12.132 6.536 1.00 0.84 C ATOM 310 OD1 ASN A 28 -6.306 -12.086 7.416 1.00 1.14 O ATOM 311 ND2 ASN A 28 -4.462 -13.019 6.549 1.00 1.31 N ATOM 0 H ASN A 28 -5.181 -10.550 2.961 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.463 -12.742 4.274 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.472 -11.051 4.966 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.805 -10.190 5.710 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -4.396 -13.697 7.308 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.770 -13.023 5.800 1.00 1.31 H new ATOM 318 N LEU A 29 -7.958 -9.779 4.439 1.00 0.33 N ATOM 319 CA LEU A 29 -9.256 -9.139 4.653 1.00 0.38 C ATOM 320 C LEU A 29 -10.252 -9.570 3.590 1.00 0.40 C ATOM 321 O LEU A 29 -11.436 -9.748 3.872 1.00 0.49 O ATOM 322 CB LEU A 29 -9.116 -7.615 4.642 1.00 0.40 C ATOM 323 CG LEU A 29 -8.182 -7.033 5.706 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.559 -5.735 5.224 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.928 -6.815 7.009 1.00 0.39 C ATOM 0 H LEU A 29 -7.192 -9.130 4.262 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.626 -9.453 5.629 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.757 -7.307 3.660 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -10.105 -7.175 4.772 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.380 -7.750 5.884 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.899 -5.339 5.996 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.985 -5.922 4.317 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.345 -5.010 5.013 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.247 -6.401 7.753 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.752 -6.121 6.845 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -9.321 -7.767 7.367 1.00 0.39 H new ATOM 337 N GLY A 30 -9.767 -9.745 2.368 1.00 0.35 N ATOM 338 CA GLY A 30 -10.630 -10.157 1.280 1.00 0.43 C ATOM 339 C GLY A 30 -11.209 -11.549 1.469 1.00 0.53 C ATOM 340 O GLY A 30 -12.287 -11.845 0.966 1.00 0.65 O ATOM 0 H GLY A 30 -8.789 -9.609 2.111 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.446 -9.441 1.181 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.067 -10.128 0.347 1.00 0.43 H new ATOM 344 N ASN A 31 -10.500 -12.404 2.186 1.00 0.53 N ATOM 345 CA ASN A 31 -10.969 -13.761 2.418 1.00 0.66 C ATOM 346 C ASN A 31 -11.624 -13.870 3.798 1.00 0.71 C ATOM 347 O ASN A 31 -12.328 -14.836 4.096 1.00 0.84 O ATOM 348 CB ASN A 31 -9.783 -14.730 2.269 1.00 0.70 C ATOM 349 CG ASN A 31 -9.818 -15.915 3.215 1.00 1.17 C ATOM 350 OD1 ASN A 31 -9.290 -15.855 4.330 1.00 1.94 O ATOM 351 ND2 ASN A 31 -10.423 -17.002 2.777 1.00 1.52 N ATOM 0 H ASN A 31 -9.601 -12.185 2.616 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.728 -14.026 1.682 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.759 -15.100 1.244 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -8.857 -14.179 2.431 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.467 -17.834 3.366 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.847 -17.011 1.849 1.00 1.52 H new ATOM 358 N ARG A 32 -11.404 -12.860 4.632 1.00 0.66 N ATOM 359 CA ARG A 32 -11.971 -12.834 5.973 1.00 0.77 C ATOM 360 C ARG A 32 -13.339 -12.153 5.972 1.00 0.86 C ATOM 361 O ARG A 32 -14.032 -12.112 6.991 1.00 1.01 O ATOM 362 CB ARG A 32 -11.021 -12.102 6.925 1.00 0.76 C ATOM 363 CG ARG A 32 -11.193 -12.478 8.385 1.00 0.91 C ATOM 364 CD ARG A 32 -10.075 -11.908 9.236 1.00 1.14 C ATOM 365 NE ARG A 32 -9.756 -12.774 10.367 1.00 2.09 N ATOM 366 CZ ARG A 32 -8.677 -12.642 11.135 1.00 2.75 C ATOM 367 NH1 ARG A 32 -7.807 -11.653 10.919 1.00 2.70 N ATOM 368 NH2 ARG A 32 -8.489 -13.489 12.137 1.00 3.82 N ATOM 0 H ARG A 32 -10.835 -12.046 4.401 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.101 -13.861 6.313 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -9.994 -12.310 6.626 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.173 -11.028 6.818 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.153 -12.109 8.747 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -11.211 -13.563 8.484 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -9.185 -11.771 8.622 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -10.364 -10.923 9.603 1.00 1.14 H new ATOM 0 HE ARG A 32 -10.404 -13.532 10.583 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -7.966 -10.990 10.160 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -6.983 -11.560 11.513 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -9.167 -14.231 12.312 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -7.666 -13.399 12.733 1.00 3.82 H new ATOM 382 N MET A 33 -13.724 -11.624 4.819 1.00 0.83 N ATOM 383 CA MET A 33 -15.006 -10.942 4.678 1.00 0.96 C ATOM 384 C MET A 33 -16.075 -11.909 4.183 1.00 1.17 C ATOM 385 O MET A 33 -15.754 -12.962 3.631 1.00 1.55 O ATOM 386 CB MET A 33 -14.876 -9.760 3.713 1.00 0.80 C ATOM 387 CG MET A 33 -15.528 -8.483 4.225 1.00 0.95 C ATOM 388 SD MET A 33 -15.407 -7.105 3.063 1.00 1.18 S ATOM 389 CE MET A 33 -16.929 -7.317 2.146 1.00 1.84 C ATOM 0 H MET A 33 -13.167 -11.653 3.965 1.00 0.83 H new ATOM 0 HA MET A 33 -15.305 -10.566 5.656 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.819 -9.569 3.525 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.326 -10.030 2.758 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.579 -8.679 4.437 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.061 -8.197 5.167 1.00 0.95 H new ATOM 0 HE1 MET A 33 -17.006 -6.540 1.385 1.00 1.84 H new ATOM 0 HE2 MET A 33 -16.932 -8.296 1.667 1.00 1.84 H new ATOM 0 HE3 MET A 33 -17.777 -7.244 2.827 1.00 1.84 H new ATOM 399 N VAL A 34 -17.340 -11.551 4.389 1.00 1.22 N ATOM 400 CA VAL A 34 -18.461 -12.390 3.971 1.00 1.41 C ATOM 401 C VAL A 34 -19.453 -11.585 3.132 1.00 1.54 C ATOM 402 O VAL A 34 -20.110 -10.678 3.641 1.00 1.66 O ATOM 403 CB VAL A 34 -19.212 -12.990 5.183 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.372 -13.864 4.727 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.260 -13.775 6.077 1.00 1.64 C ATOM 0 H VAL A 34 -17.616 -10.681 4.845 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.042 -13.203 3.378 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.621 -12.165 5.766 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.883 -14.274 5.598 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -21.072 -13.265 4.144 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.993 -14.680 4.112 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.811 -14.187 6.922 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.811 -14.587 5.506 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.476 -13.113 6.444 1.00 1.64 H new ATOM 415 N PRO A 35 -19.575 -11.909 1.839 1.00 1.58 N ATOM 416 CA PRO A 35 -18.802 -12.985 1.210 1.00 1.51 C ATOM 417 C PRO A 35 -17.387 -12.532 0.856 1.00 1.32 C ATOM 418 O PRO A 35 -17.124 -11.326 0.774 1.00 1.30 O ATOM 419 CB PRO A 35 -19.604 -13.282 -0.058 1.00 1.71 C ATOM 420 CG PRO A 35 -20.251 -11.986 -0.410 1.00 1.86 C ATOM 421 CD PRO A 35 -20.481 -11.246 0.885 1.00 1.75 C ATOM 0 HA PRO A 35 -18.673 -13.848 1.863 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -18.957 -13.633 -0.862 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.347 -14.061 0.117 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -19.615 -11.406 -1.079 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.193 -12.154 -0.932 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.249 -10.186 0.785 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.520 -11.317 1.206 1.00 1.75 H new ATOM 429 N PRO A 36 -16.458 -13.482 0.646 1.00 1.22 N ATOM 430 CA PRO A 36 -15.075 -13.160 0.303 1.00 1.08 C ATOM 431 C PRO A 36 -14.995 -12.215 -0.890 1.00 1.17 C ATOM 432 O PRO A 36 -15.585 -12.468 -1.942 1.00 1.42 O ATOM 433 CB PRO A 36 -14.457 -14.521 -0.028 1.00 1.12 C ATOM 434 CG PRO A 36 -15.276 -15.491 0.748 1.00 1.14 C ATOM 435 CD PRO A 36 -16.675 -14.937 0.731 1.00 1.27 C ATOM 0 HA PRO A 36 -14.557 -12.643 1.110 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -14.500 -14.729 -1.097 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.407 -14.563 0.263 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.241 -16.483 0.298 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -14.905 -15.590 1.768 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.246 -15.310 -0.120 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.228 -15.210 1.630 1.00 1.27 H new ATOM 443 N VAL A 37 -14.280 -11.116 -0.696 1.00 0.99 N ATOM 444 CA VAL A 37 -14.120 -10.105 -1.725 1.00 1.08 C ATOM 445 C VAL A 37 -13.270 -10.620 -2.869 1.00 1.24 C ATOM 446 O VAL A 37 -13.582 -10.399 -4.039 1.00 2.02 O ATOM 447 CB VAL A 37 -13.453 -8.832 -1.163 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.751 -7.631 -2.045 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.907 -8.558 0.259 1.00 0.81 C ATOM 0 H VAL A 37 -13.797 -10.903 0.177 1.00 0.99 H new ATOM 0 HA VAL A 37 -15.120 -9.865 -2.086 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.376 -9.001 -1.154 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.270 -6.746 -1.629 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.368 -7.813 -3.049 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.828 -7.471 -2.091 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.421 -7.655 0.629 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.988 -8.421 0.276 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.639 -9.401 0.895 1.00 0.81 H new ATOM 459 N GLY A 38 -12.185 -11.292 -2.529 1.00 1.18 N ATOM 460 CA GLY A 38 -11.288 -11.802 -3.540 1.00 1.27 C ATOM 461 C GLY A 38 -10.356 -10.715 -4.024 1.00 1.09 C ATOM 462 O GLY A 38 -9.155 -10.745 -3.750 1.00 1.23 O ATOM 0 H GLY A 38 -11.908 -11.494 -1.568 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -10.708 -12.631 -3.134 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -11.863 -12.195 -4.378 1.00 1.27 H new ATOM 466 N ASN A 39 -10.920 -9.732 -4.709 1.00 0.92 N ATOM 467 CA ASN A 39 -10.157 -8.604 -5.212 1.00 0.82 C ATOM 468 C ASN A 39 -10.392 -7.386 -4.324 1.00 0.64 C ATOM 469 O ASN A 39 -10.880 -6.352 -4.778 1.00 0.74 O ATOM 470 CB ASN A 39 -10.520 -8.304 -6.680 1.00 0.99 C ATOM 471 CG ASN A 39 -11.981 -7.914 -6.889 1.00 1.44 C ATOM 472 OD1 ASN A 39 -12.889 -8.474 -6.272 1.00 2.12 O ATOM 473 ND2 ASN A 39 -12.215 -6.946 -7.767 1.00 2.13 N ATOM 0 H ASN A 39 -11.915 -9.695 -4.930 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.096 -8.854 -5.185 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -9.883 -7.498 -7.044 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -10.299 -9.183 -7.286 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -13.172 -6.643 -7.949 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -11.438 -6.505 -8.259 1.00 2.13 H new ATOM 480 N PHE A 40 -10.030 -7.544 -3.044 1.00 0.46 N ATOM 481 CA PHE A 40 -10.162 -6.499 -2.017 1.00 0.32 C ATOM 482 C PHE A 40 -9.830 -5.115 -2.576 1.00 0.28 C ATOM 483 O PHE A 40 -10.724 -4.336 -2.925 1.00 0.52 O ATOM 484 CB PHE A 40 -9.227 -6.844 -0.857 1.00 0.24 C ATOM 485 CG PHE A 40 -9.454 -6.064 0.406 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.740 -5.888 0.889 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.400 -5.498 1.103 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.978 -5.168 2.040 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.627 -4.771 2.257 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.833 -4.636 2.762 1.00 0.33 C ATOM 0 H PHE A 40 -9.632 -8.412 -2.687 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.196 -6.464 -1.673 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.331 -7.906 -0.632 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.199 -6.686 -1.182 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.571 -6.323 0.354 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.390 -5.626 0.742 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.985 -5.004 2.395 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.792 -4.302 2.756 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.973 -4.133 3.707 1.00 0.33 H new ATOM 500 N MET A 41 -8.543 -4.824 -2.677 1.00 0.22 N ATOM 501 CA MET A 41 -8.093 -3.565 -3.218 1.00 0.18 C ATOM 502 C MET A 41 -7.483 -3.811 -4.592 1.00 0.20 C ATOM 503 O MET A 41 -6.610 -4.668 -4.736 1.00 0.24 O ATOM 504 CB MET A 41 -7.065 -2.926 -2.287 1.00 0.17 C ATOM 505 CG MET A 41 -7.017 -1.414 -2.369 1.00 0.21 C ATOM 506 SD MET A 41 -8.658 -0.666 -2.494 1.00 0.28 S ATOM 507 CE MET A 41 -8.695 0.321 -1.003 1.00 0.25 C ATOM 0 H MET A 41 -7.792 -5.451 -2.388 1.00 0.22 H new ATOM 0 HA MET A 41 -8.938 -2.882 -3.310 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.289 -3.217 -1.261 1.00 0.17 H new ATOM 0 HB3 MET A 41 -6.078 -3.324 -2.524 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.511 -1.023 -1.486 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.422 -1.120 -3.234 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.377 1.160 -1.139 1.00 0.25 H new ATOM 0 HE2 MET A 41 -9.036 -0.292 -0.169 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.694 0.697 -0.791 1.00 0.25 H new ATOM 517 N PRO A 42 -7.947 -3.090 -5.622 1.00 0.20 N ATOM 518 CA PRO A 42 -7.447 -3.249 -6.987 1.00 0.24 C ATOM 519 C PRO A 42 -5.943 -2.998 -7.093 1.00 0.21 C ATOM 520 O PRO A 42 -5.395 -2.141 -6.389 1.00 0.20 O ATOM 521 CB PRO A 42 -8.229 -2.200 -7.783 1.00 0.29 C ATOM 522 CG PRO A 42 -9.444 -1.930 -6.964 1.00 0.27 C ATOM 523 CD PRO A 42 -9.017 -2.083 -5.537 1.00 0.23 C ATOM 0 HA PRO A 42 -7.587 -4.266 -7.353 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.641 -1.294 -7.929 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.494 -2.571 -8.773 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.827 -0.927 -7.152 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -10.244 -2.628 -7.210 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.655 -1.143 -5.120 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.838 -2.418 -4.903 1.00 0.23 H new ATOM 531 N ASP A 43 -5.289 -3.757 -7.972 1.00 0.23 N ATOM 532 CA ASP A 43 -3.846 -3.652 -8.185 1.00 0.23 C ATOM 533 C ASP A 43 -3.435 -2.215 -8.465 1.00 0.22 C ATOM 534 O ASP A 43 -2.401 -1.757 -7.993 1.00 0.23 O ATOM 535 CB ASP A 43 -3.420 -4.547 -9.348 1.00 0.29 C ATOM 536 CG ASP A 43 -2.129 -5.296 -9.073 1.00 0.78 C ATOM 537 OD1 ASP A 43 -1.045 -4.685 -9.211 1.00 1.08 O ATOM 538 OD2 ASP A 43 -2.183 -6.489 -8.700 1.00 1.51 O ATOM 0 H ASP A 43 -5.743 -4.460 -8.555 1.00 0.23 H new ATOM 0 HA ASP A 43 -3.347 -3.980 -7.273 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -4.213 -5.265 -9.557 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.297 -3.937 -10.243 1.00 0.29 H new ATOM 543 N SER A 44 -4.265 -1.510 -9.227 1.00 0.23 N ATOM 544 CA SER A 44 -4.007 -0.118 -9.574 1.00 0.25 C ATOM 545 C SER A 44 -3.975 0.765 -8.324 1.00 0.23 C ATOM 546 O SER A 44 -3.107 1.628 -8.180 1.00 0.26 O ATOM 547 CB SER A 44 -5.095 0.367 -10.535 1.00 0.32 C ATOM 548 OG SER A 44 -6.074 -0.644 -10.720 1.00 0.57 O ATOM 0 H SER A 44 -5.129 -1.885 -9.619 1.00 0.23 H new ATOM 0 HA SER A 44 -3.031 -0.049 -10.054 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.563 1.269 -10.140 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.651 0.633 -11.494 1.00 0.32 H new ATOM 0 HG SER A 44 -6.602 -0.742 -9.900 1.00 0.57 H new ATOM 554 N ILE A 45 -4.923 0.537 -7.423 1.00 0.21 N ATOM 555 CA ILE A 45 -5.011 1.305 -6.191 1.00 0.21 C ATOM 556 C ILE A 45 -3.889 0.927 -5.231 1.00 0.17 C ATOM 557 O ILE A 45 -3.344 1.789 -4.541 1.00 0.18 O ATOM 558 CB ILE A 45 -6.374 1.104 -5.487 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.529 1.370 -6.463 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.489 2.003 -4.258 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.708 2.833 -6.811 1.00 0.34 C ATOM 0 H ILE A 45 -5.644 -0.177 -7.525 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.913 2.355 -6.467 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.436 0.068 -5.155 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -7.355 0.806 -7.380 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.455 0.993 -6.028 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.456 1.844 -3.780 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.692 1.761 -3.555 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.401 3.046 -4.561 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.542 2.943 -7.504 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.914 3.400 -5.903 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.797 3.210 -7.276 1.00 0.34 H new ATOM 573 N LEU A 46 -3.537 -0.357 -5.197 1.00 0.16 N ATOM 574 CA LEU A 46 -2.468 -0.830 -4.314 1.00 0.16 C ATOM 575 C LEU A 46 -1.132 -0.214 -4.708 1.00 0.16 C ATOM 576 O LEU A 46 -0.307 0.110 -3.855 1.00 0.19 O ATOM 577 CB LEU A 46 -2.357 -2.362 -4.362 1.00 0.18 C ATOM 578 CG LEU A 46 -3.569 -3.136 -3.830 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.516 -4.577 -4.302 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.625 -3.082 -2.310 1.00 0.19 C ATOM 0 H LEU A 46 -3.971 -1.085 -5.765 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.718 -0.523 -3.298 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -2.183 -2.663 -5.395 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.479 -2.662 -3.790 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.472 -2.667 -4.220 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.381 -5.118 -3.918 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.525 -4.604 -5.392 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.603 -5.047 -3.935 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.494 -3.638 -1.958 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.719 -3.524 -1.897 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.703 -2.044 -1.985 1.00 0.19 H new ATOM 592 N LYS A 47 -0.924 -0.058 -6.009 1.00 0.17 N ATOM 593 CA LYS A 47 0.314 0.509 -6.525 1.00 0.19 C ATOM 594 C LYS A 47 0.464 1.988 -6.160 1.00 0.18 C ATOM 595 O LYS A 47 1.505 2.403 -5.648 1.00 0.20 O ATOM 596 CB LYS A 47 0.371 0.334 -8.047 1.00 0.24 C ATOM 597 CG LYS A 47 0.882 -1.031 -8.479 1.00 0.31 C ATOM 598 CD LYS A 47 0.629 -1.272 -9.958 1.00 0.44 C ATOM 599 CE LYS A 47 1.877 -1.777 -10.670 1.00 0.88 C ATOM 600 NZ LYS A 47 1.594 -2.185 -12.067 1.00 0.97 N ATOM 0 H LYS A 47 -1.599 -0.317 -6.728 1.00 0.17 H new ATOM 0 HA LYS A 47 1.142 -0.027 -6.062 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.626 0.488 -8.461 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.015 1.105 -8.470 1.00 0.24 H new ATOM 0 HG2 LYS A 47 1.950 -1.104 -8.274 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.391 -1.808 -7.893 1.00 0.31 H new ATOM 0 HD2 LYS A 47 -0.175 -1.998 -10.076 1.00 0.44 H new ATOM 0 HD3 LYS A 47 0.294 -0.346 -10.425 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.637 -0.995 -10.668 1.00 0.88 H new ATOM 0 HE3 LYS A 47 2.289 -2.624 -10.122 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 2.470 -2.522 -12.515 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.888 -2.949 -12.069 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 1.225 -1.371 -12.598 1.00 0.97 H new ATOM 614 N LYS A 48 -0.565 2.787 -6.429 1.00 0.17 N ATOM 615 CA LYS A 48 -0.496 4.214 -6.130 1.00 0.18 C ATOM 616 C LYS A 48 -0.509 4.475 -4.625 1.00 0.18 C ATOM 617 O LYS A 48 0.200 5.350 -4.135 1.00 0.20 O ATOM 618 CB LYS A 48 -1.642 4.971 -6.802 1.00 0.20 C ATOM 619 CG LYS A 48 -3.007 4.321 -6.629 1.00 0.31 C ATOM 620 CD LYS A 48 -4.131 5.256 -7.042 1.00 0.32 C ATOM 621 CE LYS A 48 -4.504 5.057 -8.501 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.853 6.333 -9.165 1.00 0.77 N ATOM 0 H LYS A 48 -1.443 2.478 -6.846 1.00 0.17 H new ATOM 0 HA LYS A 48 0.449 4.580 -6.530 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.680 5.983 -6.398 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.428 5.061 -7.867 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -3.054 3.410 -7.225 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -3.141 4.028 -5.588 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -5.004 5.079 -6.414 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.826 6.290 -6.880 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -3.671 4.591 -9.027 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -5.348 4.371 -8.569 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -5.752 6.224 -9.677 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.951 7.081 -8.449 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -4.102 6.592 -9.836 1.00 0.77 H new ATOM 636 N MET A 49 -1.319 3.724 -3.900 1.00 0.17 N ATOM 637 CA MET A 49 -1.426 3.892 -2.458 1.00 0.17 C ATOM 638 C MET A 49 -0.116 3.529 -1.771 1.00 0.17 C ATOM 639 O MET A 49 0.227 4.108 -0.744 1.00 0.19 O ATOM 640 CB MET A 49 -2.610 3.085 -1.912 1.00 0.17 C ATOM 641 CG MET A 49 -2.232 1.922 -1.010 1.00 0.19 C ATOM 642 SD MET A 49 -3.335 1.764 0.401 1.00 1.07 S ATOM 643 CE MET A 49 -4.662 0.790 -0.307 1.00 0.22 C ATOM 0 H MET A 49 -1.914 2.990 -4.285 1.00 0.17 H new ATOM 0 HA MET A 49 -1.619 4.942 -2.239 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.264 3.758 -1.357 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.187 2.701 -2.753 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.250 0.997 -1.587 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.210 2.057 -0.656 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.494 0.744 0.395 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.996 1.251 -1.236 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.304 -0.219 -0.511 1.00 0.22 H new ATOM 653 N ALA A 50 0.623 2.590 -2.346 1.00 0.16 N ATOM 654 CA ALA A 50 1.902 2.189 -1.774 1.00 0.17 C ATOM 655 C ALA A 50 2.978 3.222 -2.082 1.00 0.18 C ATOM 656 O ALA A 50 3.923 3.401 -1.314 1.00 0.22 O ATOM 657 CB ALA A 50 2.317 0.828 -2.306 1.00 0.19 C ATOM 0 H ALA A 50 0.363 2.096 -3.199 1.00 0.16 H new ATOM 0 HA ALA A 50 1.785 2.123 -0.692 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.274 0.543 -1.869 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.562 0.088 -2.040 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.413 0.875 -3.391 1.00 0.19 H new ATOM 663 N ALA A 51 2.832 3.890 -3.223 1.00 0.18 N ATOM 664 CA ALA A 51 3.796 4.892 -3.651 1.00 0.22 C ATOM 665 C ALA A 51 3.584 6.232 -2.946 1.00 0.24 C ATOM 666 O ALA A 51 4.543 6.902 -2.573 1.00 0.30 O ATOM 667 CB ALA A 51 3.716 5.077 -5.160 1.00 0.25 C ATOM 0 H ALA A 51 2.053 3.753 -3.867 1.00 0.18 H new ATOM 0 HA ALA A 51 4.788 4.533 -3.377 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.441 5.829 -5.473 1.00 0.25 H new ATOM 0 HB2 ALA A 51 3.937 4.131 -5.655 1.00 0.25 H new ATOM 0 HB3 ALA A 51 2.713 5.404 -5.434 1.00 0.25 H new ATOM 673 N ILE A 52 2.328 6.623 -2.782 1.00 0.24 N ATOM 674 CA ILE A 52 2.010 7.894 -2.140 1.00 0.28 C ATOM 675 C ILE A 52 1.913 7.743 -0.626 1.00 0.26 C ATOM 676 O ILE A 52 2.305 8.645 0.120 1.00 0.31 O ATOM 677 CB ILE A 52 0.682 8.475 -2.701 1.00 0.31 C ATOM 678 CG1 ILE A 52 0.938 9.208 -4.016 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.012 9.414 -1.705 1.00 0.35 C ATOM 680 CD1 ILE A 52 0.569 8.407 -5.245 1.00 0.37 C ATOM 0 H ILE A 52 1.516 6.083 -3.082 1.00 0.24 H new ATOM 0 HA ILE A 52 2.822 8.586 -2.363 1.00 0.28 H new ATOM 0 HB ILE A 52 0.007 7.638 -2.879 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.372 10.139 -4.018 1.00 0.36 H new ATOM 0 HG13 ILE A 52 1.993 9.476 -4.072 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.913 9.799 -2.134 1.00 0.35 H new ATOM 0 HG22 ILE A 52 -0.212 8.871 -0.787 1.00 0.35 H new ATOM 0 HG23 ILE A 52 0.682 10.244 -1.481 1.00 0.35 H new ATOM 0 HD11 ILE A 52 0.779 8.994 -6.139 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.154 7.487 -5.269 1.00 0.37 H new ATOM 0 HD13 ILE A 52 -0.492 8.161 -5.214 1.00 0.37 H new ATOM 692 N LEU A 53 1.396 6.597 -0.190 1.00 0.21 N ATOM 693 CA LEU A 53 1.222 6.300 1.231 1.00 0.21 C ATOM 694 C LEU A 53 0.451 7.414 1.942 1.00 0.23 C ATOM 695 O LEU A 53 1.011 8.154 2.752 1.00 0.27 O ATOM 696 CB LEU A 53 2.576 6.075 1.901 1.00 0.24 C ATOM 697 CG LEU A 53 3.044 4.620 1.937 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.491 4.534 2.408 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.136 3.793 2.829 1.00 0.35 C ATOM 0 H LEU A 53 1.086 5.849 -0.810 1.00 0.21 H new ATOM 0 HA LEU A 53 0.636 5.384 1.311 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.326 6.670 1.379 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.526 6.450 2.923 1.00 0.24 H new ATOM 0 HG LEU A 53 2.992 4.214 0.927 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.806 3.491 2.427 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.130 5.094 1.725 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.573 4.956 3.410 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.483 2.760 2.844 1.00 0.35 H new ATOM 0 HD22 LEU A 53 2.155 4.196 3.841 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.117 3.828 2.443 1.00 0.35 H new ATOM 711 N PRO A 54 -0.849 7.549 1.633 1.00 0.24 N ATOM 712 CA PRO A 54 -1.721 8.573 2.213 1.00 0.30 C ATOM 713 C PRO A 54 -2.206 8.199 3.612 1.00 0.40 C ATOM 714 O PRO A 54 -2.998 7.274 3.780 1.00 0.48 O ATOM 715 CB PRO A 54 -2.904 8.641 1.234 1.00 0.36 C ATOM 716 CG PRO A 54 -2.581 7.688 0.120 1.00 0.25 C ATOM 717 CD PRO A 54 -1.584 6.720 0.678 1.00 0.23 C ATOM 0 HA PRO A 54 -1.202 9.523 2.336 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.835 8.361 1.728 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -3.037 9.654 0.854 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.477 7.171 -0.222 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.171 8.218 -0.740 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -2.067 5.872 1.163 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.932 6.315 -0.096 1.00 0.23 H new ATOM 725 N MET A 55 -1.719 8.921 4.610 1.00 0.49 N ATOM 726 CA MET A 55 -2.086 8.659 5.998 1.00 0.64 C ATOM 727 C MET A 55 -3.474 9.192 6.343 1.00 0.72 C ATOM 728 O MET A 55 -4.067 8.783 7.342 1.00 1.02 O ATOM 729 CB MET A 55 -1.054 9.280 6.937 1.00 0.80 C ATOM 730 CG MET A 55 0.250 8.507 6.995 1.00 1.07 C ATOM 731 SD MET A 55 1.146 8.773 8.535 1.00 1.66 S ATOM 732 CE MET A 55 -0.105 8.361 9.749 1.00 1.52 C ATOM 0 H MET A 55 -1.067 9.695 4.486 1.00 0.49 H new ATOM 0 HA MET A 55 -2.107 7.577 6.126 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.849 10.301 6.615 1.00 0.80 H new ATOM 0 HB3 MET A 55 -1.477 9.341 7.940 1.00 0.80 H new ATOM 0 HG2 MET A 55 0.043 7.443 6.879 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.881 8.802 6.156 1.00 1.07 H new ATOM 0 HE1 MET A 55 0.376 8.013 10.663 1.00 1.52 H new ATOM 0 HE2 MET A 55 -0.705 9.245 9.968 1.00 1.52 H new ATOM 0 HE3 MET A 55 -0.749 7.574 9.356 1.00 1.52 H new ATOM 742 N ASN A 56 -3.995 10.108 5.536 1.00 0.66 N ATOM 743 CA ASN A 56 -5.312 10.679 5.806 1.00 0.84 C ATOM 744 C ASN A 56 -6.093 10.904 4.516 1.00 0.69 C ATOM 745 O ASN A 56 -5.562 10.725 3.419 1.00 0.59 O ATOM 746 CB ASN A 56 -5.183 11.988 6.592 1.00 1.13 C ATOM 747 CG ASN A 56 -4.228 12.971 5.947 1.00 1.94 C ATOM 748 OD1 ASN A 56 -4.567 13.632 4.964 1.00 2.68 O ATOM 749 ND2 ASN A 56 -3.022 13.069 6.489 1.00 2.34 N ATOM 0 H ASN A 56 -3.535 10.469 4.700 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.867 9.963 6.413 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -6.166 12.450 6.682 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -4.841 11.767 7.603 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -2.335 13.710 6.092 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -2.781 12.504 7.303 1.00 2.34 H new ATOM 756 N ASP A 57 -7.361 11.281 4.662 1.00 0.76 N ATOM 757 CA ASP A 57 -8.249 11.519 3.520 1.00 0.76 C ATOM 758 C ASP A 57 -7.708 12.608 2.591 1.00 0.73 C ATOM 759 O ASP A 57 -7.803 12.491 1.368 1.00 1.11 O ATOM 760 CB ASP A 57 -9.647 11.903 4.010 1.00 0.96 C ATOM 761 CG ASP A 57 -10.750 11.308 3.151 1.00 1.69 C ATOM 762 OD1 ASP A 57 -10.801 10.067 3.019 1.00 1.77 O ATOM 763 OD2 ASP A 57 -11.561 12.079 2.585 1.00 2.68 O ATOM 0 H ASP A 57 -7.803 11.430 5.569 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.302 10.592 2.950 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.772 11.568 5.040 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.741 12.989 4.015 1.00 0.96 H new ATOM 768 N SER A 58 -7.136 13.659 3.169 1.00 0.67 N ATOM 769 CA SER A 58 -6.580 14.761 2.387 1.00 0.72 C ATOM 770 C SER A 58 -5.379 14.285 1.572 1.00 0.66 C ATOM 771 O SER A 58 -5.207 14.665 0.415 1.00 0.77 O ATOM 772 CB SER A 58 -6.184 15.906 3.315 1.00 0.87 C ATOM 773 OG SER A 58 -6.417 15.556 4.671 1.00 1.02 O ATOM 0 H SER A 58 -7.044 13.772 4.179 1.00 0.67 H new ATOM 0 HA SER A 58 -7.339 15.121 1.692 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.131 16.149 3.173 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.754 16.800 3.062 1.00 0.87 H new ATOM 0 HG SER A 58 -5.712 14.948 4.978 1.00 1.02 H new ATOM 779 N ALA A 59 -4.567 13.429 2.184 1.00 0.58 N ATOM 780 CA ALA A 59 -3.389 12.862 1.535 1.00 0.59 C ATOM 781 C ALA A 59 -3.806 11.933 0.395 1.00 0.51 C ATOM 782 O ALA A 59 -3.061 11.718 -0.558 1.00 0.59 O ATOM 783 CB ALA A 59 -2.527 12.126 2.552 1.00 0.62 C ATOM 0 H ALA A 59 -4.706 13.109 3.142 1.00 0.58 H new ATOM 0 HA ALA A 59 -2.796 13.673 1.112 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.652 11.709 2.053 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.205 12.821 3.327 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.106 11.321 3.004 1.00 0.62 H new ATOM 789 N PHE A 60 -5.009 11.385 0.513 1.00 0.40 N ATOM 790 CA PHE A 60 -5.558 10.477 -0.485 1.00 0.37 C ATOM 791 C PHE A 60 -5.784 11.185 -1.822 1.00 0.42 C ATOM 792 O PHE A 60 -5.861 10.538 -2.862 1.00 0.46 O ATOM 793 CB PHE A 60 -6.858 9.842 0.028 1.00 0.33 C ATOM 794 CG PHE A 60 -6.625 8.530 0.708 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.960 7.519 0.047 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.058 8.309 2.004 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.724 6.312 0.662 1.00 0.22 C ATOM 798 CE2 PHE A 60 -6.824 7.099 2.625 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.156 6.099 1.946 1.00 0.24 C ATOM 0 H PHE A 60 -5.631 11.558 1.303 1.00 0.40 H new ATOM 0 HA PHE A 60 -4.830 9.684 -0.656 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.343 10.527 0.723 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.543 9.698 -0.808 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.620 7.677 -0.966 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -7.583 9.090 2.534 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -5.198 5.531 0.133 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.162 6.935 3.638 1.00 0.37 H new ATOM 0 HZ PHE A 60 -5.974 5.149 2.426 1.00 0.24 H new ATOM 809 N ALA A 61 -5.902 12.510 -1.786 1.00 0.47 N ATOM 810 CA ALA A 61 -6.132 13.304 -2.998 1.00 0.56 C ATOM 811 C ALA A 61 -5.063 13.064 -4.072 1.00 0.58 C ATOM 812 O ALA A 61 -5.331 13.217 -5.268 1.00 0.64 O ATOM 813 CB ALA A 61 -6.186 14.778 -2.648 1.00 0.67 C ATOM 0 H ALA A 61 -5.842 13.061 -0.930 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.087 12.983 -3.415 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -6.357 15.361 -3.553 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -6.999 14.955 -1.943 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -5.241 15.079 -2.196 1.00 0.67 H new ATOM 819 N THR A 62 -3.860 12.681 -3.652 1.00 0.57 N ATOM 820 CA THR A 62 -2.767 12.420 -4.585 1.00 0.64 C ATOM 821 C THR A 62 -2.914 11.066 -5.284 1.00 0.53 C ATOM 822 O THR A 62 -2.107 10.708 -6.140 1.00 0.57 O ATOM 823 CB THR A 62 -1.414 12.497 -3.892 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.580 12.652 -2.478 1.00 1.03 O ATOM 825 CG2 THR A 62 -0.605 13.660 -4.446 1.00 1.13 C ATOM 0 H THR A 62 -3.617 12.544 -2.671 1.00 0.57 H new ATOM 0 HA THR A 62 -2.820 13.200 -5.344 1.00 0.64 H new ATOM 0 HB THR A 62 -0.879 11.567 -4.082 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.064 11.879 -2.119 1.00 1.03 H new ATOM 0 HG21 THR A 62 0.361 13.704 -3.942 1.00 1.13 H new ATOM 0 HG22 THR A 62 -0.450 13.519 -5.516 1.00 1.13 H new ATOM 0 HG23 THR A 62 -1.145 14.592 -4.278 1.00 1.13 H new ATOM 833 N LEU A 63 -3.972 10.334 -4.945 1.00 0.44 N ATOM 834 CA LEU A 63 -4.250 9.047 -5.578 1.00 0.40 C ATOM 835 C LEU A 63 -5.073 9.285 -6.836 1.00 0.48 C ATOM 836 O LEU A 63 -5.609 8.352 -7.433 1.00 0.68 O ATOM 837 CB LEU A 63 -5.040 8.134 -4.636 1.00 0.34 C ATOM 838 CG LEU A 63 -4.248 7.470 -3.510 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.985 6.251 -3.009 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.862 7.063 -3.960 1.00 0.27 C ATOM 0 H LEU A 63 -4.651 10.610 -4.236 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.303 8.565 -5.821 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.845 8.718 -4.189 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.508 7.351 -5.232 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.145 8.202 -2.709 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.413 5.784 -2.207 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.964 6.547 -2.632 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -5.111 5.540 -3.826 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.333 6.595 -3.130 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.941 6.355 -4.785 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.313 7.945 -4.289 1.00 0.27 H new ATOM 852 N GLY A 64 -5.201 10.551 -7.209 1.00 0.63 N ATOM 853 CA GLY A 64 -5.987 10.910 -8.363 1.00 0.76 C ATOM 854 C GLY A 64 -7.444 11.089 -7.992 1.00 0.91 C ATOM 855 O GLY A 64 -7.911 12.213 -7.802 1.00 1.61 O ATOM 0 H GLY A 64 -4.769 11.339 -6.726 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -5.602 11.833 -8.797 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -5.894 10.137 -9.126 1.00 0.76 H new ATOM 859 N THR A 65 -8.152 9.972 -7.846 1.00 1.22 N ATOM 860 CA THR A 65 -9.558 9.984 -7.453 1.00 1.52 C ATOM 861 C THR A 65 -10.005 8.596 -7.006 1.00 1.28 C ATOM 862 O THR A 65 -10.088 7.673 -7.815 1.00 1.56 O ATOM 863 CB THR A 65 -10.474 10.447 -8.595 1.00 2.09 C ATOM 864 OG1 THR A 65 -9.722 10.614 -9.808 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.177 11.745 -8.235 1.00 2.55 C ATOM 0 H THR A 65 -7.770 9.038 -7.996 1.00 1.22 H new ATOM 0 HA THR A 65 -9.642 10.691 -6.628 1.00 1.52 H new ATOM 0 HB THR A 65 -11.230 9.678 -8.752 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.321 10.908 -10.526 1.00 2.14 H new ATOM 0 HG21 THR A 65 -11.820 12.052 -9.060 1.00 2.55 H new ATOM 0 HG22 THR A 65 -11.782 11.595 -7.340 1.00 2.55 H new ATOM 0 HG23 THR A 65 -10.435 12.520 -8.046 1.00 2.55 H new ATOM 873 N VAL A 66 -10.296 8.444 -5.723 1.00 0.89 N ATOM 874 CA VAL A 66 -10.738 7.160 -5.206 1.00 0.69 C ATOM 875 C VAL A 66 -12.227 7.215 -4.874 1.00 0.68 C ATOM 876 O VAL A 66 -12.657 7.968 -3.998 1.00 0.72 O ATOM 877 CB VAL A 66 -9.921 6.699 -3.977 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.521 6.295 -4.405 1.00 0.58 C ATOM 879 CG2 VAL A 66 -9.860 7.773 -2.900 1.00 0.58 C ATOM 0 H VAL A 66 -10.235 9.187 -5.027 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.568 6.420 -5.988 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.428 5.836 -3.545 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -7.953 5.972 -3.533 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.582 5.476 -5.122 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.022 7.146 -4.868 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.277 7.408 -2.055 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.390 8.669 -3.306 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -10.870 8.013 -2.567 1.00 0.58 H new ATOM 889 N GLU A 67 -13.011 6.433 -5.605 1.00 0.72 N ATOM 890 CA GLU A 67 -14.454 6.384 -5.430 1.00 0.79 C ATOM 891 C GLU A 67 -14.831 5.964 -4.011 1.00 0.63 C ATOM 892 O GLU A 67 -14.014 5.389 -3.285 1.00 0.49 O ATOM 893 CB GLU A 67 -15.048 5.415 -6.446 1.00 0.94 C ATOM 894 CG GLU A 67 -15.365 6.063 -7.776 1.00 1.19 C ATOM 895 CD GLU A 67 -15.558 5.060 -8.895 1.00 1.70 C ATOM 896 OE1 GLU A 67 -16.559 4.318 -8.878 1.00 2.42 O ATOM 897 OE2 GLU A 67 -14.702 5.001 -9.803 1.00 2.16 O ATOM 0 H GLU A 67 -12.662 5.814 -6.337 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.859 7.383 -5.592 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.349 4.594 -6.607 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -15.959 4.981 -6.034 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.269 6.663 -7.674 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -14.558 6.745 -8.043 1.00 1.19 H new ATOM 904 N ASP A 68 -16.072 6.248 -3.622 1.00 0.71 N ATOM 905 CA ASP A 68 -16.570 5.897 -2.293 1.00 0.67 C ATOM 906 C ASP A 68 -16.425 4.392 -2.065 1.00 0.54 C ATOM 907 O ASP A 68 -16.102 3.943 -0.960 1.00 0.55 O ATOM 908 CB ASP A 68 -18.036 6.343 -2.137 1.00 0.85 C ATOM 909 CG ASP A 68 -18.937 5.256 -1.579 1.00 1.26 C ATOM 910 OD1 ASP A 68 -18.865 4.980 -0.364 1.00 1.72 O ATOM 911 OD2 ASP A 68 -19.721 4.663 -2.351 1.00 1.61 O ATOM 0 H ASP A 68 -16.755 6.723 -4.212 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.979 6.417 -1.539 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.076 7.212 -1.480 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.418 6.659 -3.108 1.00 0.85 H new ATOM 916 N LYS A 69 -16.639 3.618 -3.129 1.00 0.55 N ATOM 917 CA LYS A 69 -16.517 2.168 -3.066 1.00 0.58 C ATOM 918 C LYS A 69 -15.089 1.757 -2.702 1.00 0.51 C ATOM 919 O LYS A 69 -14.860 0.687 -2.133 1.00 0.60 O ATOM 920 CB LYS A 69 -16.952 1.524 -4.384 1.00 0.71 C ATOM 921 CG LYS A 69 -16.005 1.771 -5.545 1.00 0.82 C ATOM 922 CD LYS A 69 -16.759 1.952 -6.848 1.00 1.15 C ATOM 923 CE LYS A 69 -16.235 1.029 -7.935 1.00 1.53 C ATOM 924 NZ LYS A 69 -16.280 1.677 -9.272 1.00 1.97 N ATOM 0 H LYS A 69 -16.899 3.977 -4.048 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.182 1.808 -2.281 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.051 0.449 -4.234 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -17.940 1.901 -4.650 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.405 2.659 -5.344 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -15.314 0.933 -5.637 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -17.819 1.757 -6.685 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -16.673 2.987 -7.177 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -15.210 0.740 -7.705 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -16.828 0.114 -7.953 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -17.078 1.293 -9.817 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -16.402 2.703 -9.156 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -15.392 1.489 -9.779 1.00 1.97 H new ATOM 938 N TYR A 70 -14.127 2.618 -3.021 1.00 0.43 N ATOM 939 CA TYR A 70 -12.726 2.351 -2.717 1.00 0.39 C ATOM 940 C TYR A 70 -12.371 2.827 -1.309 1.00 0.33 C ATOM 941 O TYR A 70 -11.538 2.224 -0.631 1.00 0.34 O ATOM 942 CB TYR A 70 -11.829 3.055 -3.735 1.00 0.47 C ATOM 943 CG TYR A 70 -11.942 2.511 -5.138 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.595 1.199 -5.419 1.00 1.05 C ATOM 945 CD2 TYR A 70 -12.381 3.314 -6.181 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.682 0.701 -6.700 1.00 1.16 C ATOM 947 CE2 TYR A 70 -12.468 2.823 -7.466 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.119 1.517 -7.718 1.00 0.94 C ATOM 949 OH TYR A 70 -12.204 1.030 -8.997 1.00 1.11 O ATOM 0 H TYR A 70 -14.293 3.508 -3.491 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.566 1.274 -2.770 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.076 4.117 -3.748 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -10.793 2.973 -3.408 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -11.251 0.557 -4.621 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -12.659 4.339 -5.983 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -11.409 -0.324 -6.904 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -12.808 3.460 -8.269 1.00 1.29 H new ATOM 0 HH TYR A 70 -12.531 1.735 -9.594 1.00 1.11 H new ATOM 959 N ARG A 71 -13.009 3.918 -0.876 1.00 0.37 N ATOM 960 CA ARG A 71 -12.759 4.483 0.448 1.00 0.46 C ATOM 961 C ARG A 71 -13.171 3.512 1.550 1.00 0.52 C ATOM 962 O ARG A 71 -12.546 3.468 2.606 1.00 0.59 O ATOM 963 CB ARG A 71 -13.482 5.824 0.635 1.00 0.60 C ATOM 964 CG ARG A 71 -13.013 6.911 -0.313 1.00 0.81 C ATOM 965 CD ARG A 71 -11.716 7.552 0.175 1.00 0.97 C ATOM 966 NE ARG A 71 -11.867 8.969 0.558 1.00 1.39 N ATOM 967 CZ ARG A 71 -12.291 9.951 -0.252 1.00 1.96 C ATOM 968 NH1 ARG A 71 -12.592 9.717 -1.528 1.00 2.55 N ATOM 969 NH2 ARG A 71 -12.397 11.188 0.220 1.00 2.53 N ATOM 0 H ARG A 71 -13.702 4.426 -1.425 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.686 4.659 0.521 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.552 5.671 0.496 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.339 6.163 1.661 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.861 6.489 -1.307 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -13.786 7.674 -0.405 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -11.342 6.990 1.031 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -10.964 7.474 -0.610 1.00 0.97 H new ATOM 0 HE ARG A 71 -11.630 9.223 1.517 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -12.502 8.775 -1.909 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -12.912 10.480 -2.125 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -12.157 11.386 1.191 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -12.719 11.940 -0.389 1.00 2.53 H new ATOM 983 N ARG A 72 -14.228 2.740 1.314 1.00 0.57 N ATOM 984 CA ARG A 72 -14.691 1.780 2.315 1.00 0.72 C ATOM 985 C ARG A 72 -13.601 0.776 2.645 1.00 0.68 C ATOM 986 O ARG A 72 -13.417 0.412 3.801 1.00 0.82 O ATOM 987 CB ARG A 72 -15.918 1.005 1.851 1.00 0.87 C ATOM 988 CG ARG A 72 -17.047 1.873 1.361 1.00 1.22 C ATOM 989 CD ARG A 72 -17.698 1.236 0.156 1.00 1.78 C ATOM 990 NE ARG A 72 -18.767 2.063 -0.408 1.00 2.63 N ATOM 991 CZ ARG A 72 -19.925 1.579 -0.867 1.00 3.47 C ATOM 992 NH1 ARG A 72 -20.121 0.266 -0.942 1.00 3.77 N ATOM 993 NH2 ARG A 72 -20.870 2.411 -1.286 1.00 4.38 N ATOM 0 H ARG A 72 -14.774 2.758 0.453 1.00 0.57 H new ATOM 0 HA ARG A 72 -14.953 2.366 3.196 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -15.624 0.325 1.051 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.279 0.390 2.675 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -17.783 2.010 2.153 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -16.671 2.863 1.102 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -16.942 1.055 -0.608 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -18.105 0.265 0.438 1.00 1.78 H new ATOM 0 HE ARG A 72 -18.618 3.071 -0.453 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -19.386 -0.377 -0.648 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -21.007 -0.098 -1.293 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -20.712 3.418 -1.257 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -21.754 2.043 -1.637 1.00 4.38 H new ATOM 1007 N ARG A 73 -12.879 0.322 1.627 1.00 0.63 N ATOM 1008 CA ARG A 73 -11.820 -0.648 1.852 1.00 0.70 C ATOM 1009 C ARG A 73 -10.565 0.042 2.342 1.00 0.53 C ATOM 1010 O ARG A 73 -9.597 -0.605 2.733 1.00 0.59 O ATOM 1011 CB ARG A 73 -11.508 -1.431 0.577 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.542 -2.491 0.238 1.00 0.59 C ATOM 1013 CD ARG A 73 -13.708 -1.903 -0.537 1.00 0.71 C ATOM 1014 NE ARG A 73 -14.709 -2.911 -0.861 1.00 1.08 N ATOM 1015 CZ ARG A 73 -14.698 -3.642 -1.974 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -13.701 -3.522 -2.845 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -15.675 -4.505 -2.206 1.00 1.44 N ATOM 0 H ARG A 73 -13.005 0.605 0.655 1.00 0.63 H new ATOM 0 HA ARG A 73 -12.168 -1.347 2.613 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -11.431 -0.733 -0.257 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -10.534 -1.908 0.685 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -12.075 -3.282 -0.349 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -12.909 -2.950 1.156 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -14.170 -1.108 0.049 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -13.340 -1.448 -1.457 1.00 0.71 H new ATOM 0 HE ARG A 73 -15.465 -3.066 -0.194 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -12.940 -2.868 -2.662 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -13.697 -4.084 -3.696 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -16.434 -4.609 -1.533 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -15.668 -5.066 -3.058 1.00 1.44 H new ATOM 1031 N PHE A 74 -10.601 1.360 2.333 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.475 2.157 2.785 1.00 0.26 C ATOM 1033 C PHE A 74 -9.406 2.166 4.302 1.00 0.22 C ATOM 1034 O PHE A 74 -8.320 2.179 4.883 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.563 3.572 2.232 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.712 3.770 1.019 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.472 3.156 0.893 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.157 4.578 -0.006 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.702 3.353 -0.244 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.398 4.775 -1.136 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.094 4.111 -1.216 1.00 0.30 C ATOM 0 H PHE A 74 -11.402 1.905 2.016 1.00 0.36 H new ATOM 0 HA PHE A 74 -8.557 1.707 2.407 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.600 3.797 1.984 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.259 4.279 3.004 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.105 2.521 1.686 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.118 5.064 0.080 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.745 2.858 -0.320 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.753 5.401 -1.941 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.464 4.254 -2.082 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.571 2.141 4.941 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.646 2.127 6.396 1.00 0.30 C ATOM 1053 C LYS A 75 -10.018 0.844 6.946 1.00 0.28 C ATOM 1054 O LYS A 75 -9.586 0.799 8.096 1.00 0.37 O ATOM 1055 CB LYS A 75 -12.100 2.266 6.867 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.924 1.000 6.742 1.00 0.37 C ATOM 1057 CD LYS A 75 -14.363 1.245 7.149 1.00 0.82 C ATOM 1058 CE LYS A 75 -14.883 0.124 8.031 1.00 1.28 C ATOM 1059 NZ LYS A 75 -16.327 0.271 8.336 1.00 1.72 N ATOM 0 H LYS A 75 -11.477 2.130 4.473 1.00 0.23 H new ATOM 0 HA LYS A 75 -10.085 2.979 6.780 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -12.102 2.585 7.909 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -12.581 3.056 6.291 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.890 0.640 5.714 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.493 0.219 7.368 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.437 2.194 7.681 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.986 1.329 6.259 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.714 -0.833 7.536 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -14.317 0.105 8.963 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -16.636 -0.517 8.940 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.487 1.171 8.832 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -16.872 0.262 7.450 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.961 -0.192 6.108 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.372 -1.465 6.502 1.00 0.22 C ATOM 1075 C TYR A 76 -7.863 -1.470 6.239 1.00 0.20 C ATOM 1076 O TYR A 76 -7.168 -2.419 6.599 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.997 -2.631 5.723 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.508 -2.726 5.787 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -12.177 -2.924 6.991 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.265 -2.614 4.631 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.559 -3.013 7.032 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.646 -2.698 4.665 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.288 -2.893 5.869 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.665 -2.965 5.912 1.00 0.99 O ATOM 0 H TYR A 76 -10.317 -0.171 5.152 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.567 -1.590 7.567 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.700 -2.547 4.678 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.576 -3.563 6.100 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.611 -3.010 7.907 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -11.767 -2.458 3.685 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -14.063 -3.176 7.973 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.218 -2.611 3.753 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.026 -2.861 5.007 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.366 -0.424 5.582 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.948 -0.332 5.236 1.00 0.21 C ATOM 1096 C PHE A 77 -5.242 0.805 5.973 1.00 0.24 C ATOM 1097 O PHE A 77 -4.016 0.859 5.986 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.798 -0.092 3.730 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.662 -1.344 2.916 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.746 -2.319 3.274 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.448 -1.549 1.795 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.618 -3.471 2.529 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.320 -2.704 1.045 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.414 -3.661 1.406 1.00 0.24 C ATOM 0 H PHE A 77 -7.925 0.373 5.278 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.487 -1.274 5.533 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.664 0.466 3.375 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.923 0.535 3.559 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.126 -2.175 4.146 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.169 -0.799 1.503 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.900 -4.225 2.817 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.938 -2.850 0.171 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.317 -4.563 0.820 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.014 1.728 6.535 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.447 2.893 7.219 1.00 0.34 C ATOM 1116 C LYS A 78 -4.388 2.524 8.257 1.00 0.37 C ATOM 1117 O LYS A 78 -3.408 3.251 8.425 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.564 3.705 7.873 1.00 0.43 C ATOM 1119 CG LYS A 78 -7.284 4.630 6.903 1.00 0.68 C ATOM 1120 CD LYS A 78 -6.898 6.086 7.123 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.075 6.902 7.614 1.00 0.98 C ATOM 1122 NZ LYS A 78 -7.930 7.265 9.047 1.00 1.37 N ATOM 0 H LYS A 78 -7.033 1.696 6.533 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.943 3.492 6.460 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.288 3.022 8.317 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.144 4.298 8.686 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -7.046 4.341 5.879 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -8.361 4.517 7.024 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -6.086 6.143 7.848 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -6.523 6.509 6.191 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -8.164 7.809 7.016 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.995 6.335 7.473 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -8.754 7.823 9.349 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -7.870 6.399 9.620 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -7.065 7.827 9.177 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.570 1.404 8.938 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.604 0.969 9.937 1.00 0.46 C ATOM 1138 C ALA A 79 -2.294 0.554 9.269 1.00 0.41 C ATOM 1139 O ALA A 79 -1.206 0.778 9.796 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.176 -0.180 10.754 1.00 0.56 C ATOM 0 H ALA A 79 -5.371 0.783 8.820 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.396 1.802 10.608 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.445 -0.497 11.498 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.086 0.148 11.256 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.408 -1.016 10.094 1.00 0.56 H new ATOM 1146 N THR A 80 -2.415 -0.042 8.096 1.00 0.31 N ATOM 1147 CA THR A 80 -1.264 -0.492 7.338 1.00 0.30 C ATOM 1148 C THR A 80 -0.573 0.675 6.635 1.00 0.24 C ATOM 1149 O THR A 80 0.656 0.774 6.647 1.00 0.27 O ATOM 1150 CB THR A 80 -1.701 -1.547 6.312 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.980 -2.078 6.704 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.683 -2.675 6.217 1.00 0.46 C ATOM 0 H THR A 80 -3.311 -0.227 7.645 1.00 0.31 H new ATOM 0 HA THR A 80 -0.548 -0.935 8.031 1.00 0.30 H new ATOM 0 HB THR A 80 -1.773 -1.075 5.332 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.852 -2.934 7.164 1.00 0.53 H new ATOM 0 HG21 THR A 80 -1.019 -3.407 5.483 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.281 -2.270 5.910 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.582 -3.156 7.190 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.376 1.555 6.032 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.855 2.722 5.321 1.00 0.24 C ATOM 1162 C ILE A 81 -0.072 3.614 6.278 1.00 0.28 C ATOM 1163 O ILE A 81 0.966 4.168 5.919 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.982 3.554 4.640 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.939 2.654 3.864 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.393 4.585 3.685 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -4.302 3.275 3.629 1.00 0.55 C ATOM 0 H ILE A 81 -2.393 1.480 6.023 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.198 2.349 4.536 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.531 4.062 5.433 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.491 2.406 2.902 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -3.065 1.718 4.408 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.199 5.154 3.221 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.742 5.262 4.237 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.816 4.077 2.912 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.928 2.578 3.072 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.771 3.497 4.588 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -4.188 4.197 3.058 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.566 3.727 7.503 1.00 0.31 N ATOM 1180 CA ALA A 82 0.093 4.538 8.519 1.00 0.39 C ATOM 1181 C ALA A 82 1.439 3.937 8.910 1.00 0.41 C ATOM 1182 O ALA A 82 2.435 4.653 9.054 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.792 4.682 9.746 1.00 0.46 C ATOM 0 H ALA A 82 -1.421 3.268 7.818 1.00 0.31 H new ATOM 0 HA ALA A 82 0.269 5.527 8.095 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.282 5.291 10.493 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.729 5.162 9.464 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.000 3.696 10.162 1.00 0.46 H new ATOM 1189 N ASP A 83 1.458 2.619 9.067 1.00 0.37 N ATOM 1190 CA ASP A 83 2.669 1.888 9.437 1.00 0.42 C ATOM 1191 C ASP A 83 3.722 2.007 8.355 1.00 0.39 C ATOM 1192 O ASP A 83 4.859 2.372 8.630 1.00 0.46 O ATOM 1193 CB ASP A 83 2.331 0.411 9.671 1.00 0.47 C ATOM 1194 CG ASP A 83 3.394 -0.328 10.465 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.547 -0.413 9.987 1.00 1.40 O ATOM 1196 OD2 ASP A 83 3.094 -0.809 11.581 1.00 1.37 O ATOM 0 H ASP A 83 0.638 2.026 8.942 1.00 0.37 H new ATOM 0 HA ASP A 83 3.067 2.321 10.355 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.379 0.342 10.198 1.00 0.47 H new ATOM 0 HB3 ASP A 83 2.198 -0.082 8.708 1.00 0.47 H new ATOM 1201 N LEU A 84 3.343 1.710 7.121 1.00 0.32 N ATOM 1202 CA LEU A 84 4.278 1.785 6.012 1.00 0.31 C ATOM 1203 C LEU A 84 4.734 3.222 5.752 1.00 0.35 C ATOM 1204 O LEU A 84 5.857 3.450 5.297 1.00 0.42 O ATOM 1205 CB LEU A 84 3.660 1.164 4.766 1.00 0.29 C ATOM 1206 CG LEU A 84 3.395 -0.338 4.883 1.00 0.36 C ATOM 1207 CD1 LEU A 84 2.202 -0.747 4.038 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.635 -1.111 4.468 1.00 0.48 C ATOM 0 H LEU A 84 2.400 1.417 6.865 1.00 0.32 H new ATOM 0 HA LEU A 84 5.169 1.216 6.278 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.721 1.672 4.548 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.322 1.340 3.918 1.00 0.29 H new ATOM 0 HG LEU A 84 3.162 -0.571 5.922 1.00 0.36 H new ATOM 0 HD11 LEU A 84 2.035 -1.819 4.139 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.316 -0.209 4.375 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.397 -0.507 2.993 1.00 0.40 H new ATOM 0 HD21 LEU A 84 4.442 -2.180 4.553 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.887 -0.868 3.436 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.467 -0.840 5.118 1.00 0.48 H new ATOM 1220 N SER A 85 3.885 4.192 6.080 1.00 0.37 N ATOM 1221 CA SER A 85 4.239 5.596 5.905 1.00 0.50 C ATOM 1222 C SER A 85 5.256 6.001 6.966 1.00 0.61 C ATOM 1223 O SER A 85 6.131 6.834 6.720 1.00 0.73 O ATOM 1224 CB SER A 85 3.007 6.489 5.987 1.00 0.57 C ATOM 1225 OG SER A 85 3.216 7.713 5.301 1.00 1.37 O ATOM 0 H SER A 85 2.954 4.033 6.465 1.00 0.37 H new ATOM 0 HA SER A 85 4.676 5.722 4.915 1.00 0.50 H new ATOM 0 HB2 SER A 85 2.149 5.971 5.559 1.00 0.57 H new ATOM 0 HB3 SER A 85 2.769 6.690 7.031 1.00 0.57 H new ATOM 0 HG SER A 85 2.401 7.959 4.816 1.00 1.37 H new ATOM 1231 N LYS A 86 5.156 5.364 8.134 1.00 0.60 N ATOM 1232 CA LYS A 86 6.088 5.612 9.230 1.00 0.74 C ATOM 1233 C LYS A 86 7.423 4.965 8.892 1.00 0.78 C ATOM 1234 O LYS A 86 8.483 5.444 9.294 1.00 0.98 O ATOM 1235 CB LYS A 86 5.548 5.051 10.555 1.00 0.75 C ATOM 1236 CG LYS A 86 5.788 5.963 11.742 1.00 1.29 C ATOM 1237 CD LYS A 86 5.618 5.217 13.048 1.00 1.79 C ATOM 1238 CE LYS A 86 4.457 5.768 13.850 1.00 2.34 C ATOM 1239 NZ LYS A 86 4.179 4.934 15.039 1.00 3.07 N ATOM 0 H LYS A 86 4.437 4.672 8.343 1.00 0.60 H new ATOM 0 HA LYS A 86 6.214 6.688 9.354 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.477 4.873 10.455 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.015 4.086 10.749 1.00 0.75 H new ATOM 0 HG2 LYS A 86 6.794 6.380 11.686 1.00 1.29 H new ATOM 0 HG3 LYS A 86 5.093 6.802 11.706 1.00 1.29 H new ATOM 0 HD2 LYS A 86 5.453 4.159 12.846 1.00 1.79 H new ATOM 0 HD3 LYS A 86 6.535 5.291 13.633 1.00 1.79 H new ATOM 0 HE2 LYS A 86 4.681 6.788 14.163 1.00 2.34 H new ATOM 0 HE3 LYS A 86 3.568 5.815 13.221 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 3.379 5.338 15.567 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 3.942 3.967 14.737 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 5.020 4.910 15.650 1.00 3.07 H new ATOM 1253 N LYS A 87 7.359 3.878 8.130 1.00 0.75 N ATOM 1254 CA LYS A 87 8.550 3.166 7.705 1.00 0.86 C ATOM 1255 C LYS A 87 9.322 4.015 6.694 1.00 0.93 C ATOM 1256 O LYS A 87 10.552 3.996 6.657 1.00 1.11 O ATOM 1257 CB LYS A 87 8.171 1.810 7.107 1.00 0.91 C ATOM 1258 CG LYS A 87 7.336 0.938 8.041 1.00 1.01 C ATOM 1259 CD LYS A 87 8.043 -0.370 8.346 1.00 1.35 C ATOM 1260 CE LYS A 87 8.243 -1.196 7.085 1.00 2.18 C ATOM 1261 NZ LYS A 87 9.574 -1.849 7.061 1.00 2.78 N ATOM 0 H LYS A 87 6.486 3.472 7.794 1.00 0.75 H new ATOM 0 HA LYS A 87 9.191 2.985 8.568 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.615 1.973 6.183 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.082 1.273 6.841 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.143 1.476 8.969 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.368 0.734 7.584 1.00 1.01 H new ATOM 0 HD2 LYS A 87 9.010 -0.165 8.806 1.00 1.35 H new ATOM 0 HD3 LYS A 87 7.460 -0.941 9.069 1.00 1.35 H new ATOM 0 HE2 LYS A 87 7.464 -1.956 7.021 1.00 2.18 H new ATOM 0 HE3 LYS A 87 8.136 -0.555 6.210 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 9.673 -2.403 6.186 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 10.318 -1.123 7.097 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 9.666 -2.480 7.883 1.00 2.78 H new