USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 26 MET CE :methyl -122:sc= -0.0488 (180deg=-1.13) USER MOD Set 1.2: A 54 MET CE :methyl -163:sc= -0.268 (180deg=-0.859) USER MOD Set 2.1: A 3 MET CE :methyl -141:sc= -1.1 (180deg=-1.34) USER MOD Set 2.2: A 9 THR OG1 : rot -96:sc= -0.549! USER MOD Set 2.3: A 19 HIS : no HD1:sc= 1.68 K(o=0.033,f=-20!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00419 USER MOD Single : A 5 ASN : amide:sc= -6.93! K(o=-6.9!,f=-1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 80:sc= -0.741! USER MOD Single : A 13 GLN : amide:sc= 0.764 K(o=0.76,f=-0.6) USER MOD Single : A 16 SER OG : rot 71:sc= 0.596 USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 0.997 (180deg=0.644) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.904) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.36! C(o=-1.4!,f=-8.6!) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= 0.633 (180deg=-0.539!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 36 MET CE :methyl -161:sc= -0.129 (180deg=-0.622) USER MOD Single : A 37 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.0066) USER MOD Single : A 38 MET CE :methyl -113:sc= -0.0137 (180deg=-1.48!) USER MOD Single : A 42 LYS NZ :NH3+ 170:sc=-0.00388 (180deg=-0.113) USER MOD Single : A 44 MET CE :methyl -141:sc= -0.229 (180deg=-0.93) USER MOD Single : A 46 THR OG1 : rot 156:sc= 1.15 USER MOD Single : A 50 THR OG1 : rot 82:sc= 1.12 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0.99 (180deg=0.99) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0149) USER MOD Single : A 57 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 31 N MET A 3 10.746 1.256 9.014 1.00 0.96 N ATOM 32 CA MET A 3 9.365 1.447 9.444 1.00 0.96 C ATOM 33 C MET A 3 9.176 2.833 10.056 1.00 0.91 C ATOM 34 O MET A 3 8.074 3.199 10.460 1.00 1.26 O ATOM 35 CB MET A 3 8.984 0.380 10.472 1.00 1.43 C ATOM 36 CG MET A 3 9.112 -1.057 9.981 1.00 1.59 C ATOM 37 SD MET A 3 7.895 -1.500 8.725 1.00 2.01 S ATOM 38 CE MET A 3 8.797 -1.091 7.239 1.00 2.17 C ATOM 0 HA MET A 3 8.720 1.358 8.570 1.00 0.96 H new ATOM 0 HB2 MET A 3 9.612 0.505 11.354 1.00 1.43 H new ATOM 0 HB3 MET A 3 7.955 0.551 10.787 1.00 1.43 H new ATOM 0 HG2 MET A 3 10.112 -1.206 9.575 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.009 -1.733 10.830 1.00 1.59 H new ATOM 0 HE1 MET A 3 8.119 -0.641 6.514 1.00 2.17 H new ATOM 0 HE2 MET A 3 9.593 -0.386 7.479 1.00 2.17 H new ATOM 0 HE3 MET A 3 9.231 -1.997 6.816 1.00 2.17 H new ATOM 48 N SER A 4 10.251 3.614 10.082 1.00 0.78 N ATOM 49 CA SER A 4 10.259 4.900 10.763 1.00 0.78 C ATOM 50 C SER A 4 9.422 5.905 9.994 1.00 0.72 C ATOM 51 O SER A 4 8.863 6.847 10.554 1.00 0.81 O ATOM 52 CB SER A 4 11.698 5.407 10.861 1.00 0.86 C ATOM 53 OG SER A 4 12.591 4.354 11.188 1.00 1.47 O ATOM 0 H SER A 4 11.135 3.374 9.634 1.00 0.78 H new ATOM 0 HA SER A 4 9.838 4.779 11.761 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.993 5.857 9.913 1.00 0.86 H new ATOM 0 HB3 SER A 4 11.760 6.189 11.618 1.00 0.86 H new ATOM 0 HG SER A 4 13.504 4.705 11.243 1.00 1.47 H new ATOM 59 N ASN A 5 9.340 5.674 8.699 1.00 0.64 N ATOM 60 CA ASN A 5 8.684 6.590 7.791 1.00 0.64 C ATOM 61 C ASN A 5 7.454 5.958 7.166 1.00 0.57 C ATOM 62 O ASN A 5 6.945 6.424 6.156 1.00 0.68 O ATOM 63 CB ASN A 5 9.668 7.023 6.706 1.00 0.69 C ATOM 64 CG ASN A 5 10.390 5.857 6.037 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.510 6.014 5.555 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.771 4.680 6.007 1.00 1.24 N ATOM 0 H ASN A 5 9.727 4.845 8.247 1.00 0.64 H new ATOM 0 HA ASN A 5 8.357 7.463 8.355 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.132 7.592 5.946 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.407 7.694 7.144 1.00 0.69 H new ATOM 0 HD21 ASN A 5 10.226 3.875 5.575 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.842 4.582 6.416 1.00 1.24 H new ATOM 73 N VAL A 6 6.984 4.898 7.782 1.00 0.44 N ATOM 74 CA VAL A 6 5.892 4.127 7.235 1.00 0.40 C ATOM 75 C VAL A 6 4.664 4.284 8.102 1.00 0.40 C ATOM 76 O VAL A 6 4.658 3.893 9.269 1.00 0.47 O ATOM 77 CB VAL A 6 6.261 2.637 7.106 1.00 0.43 C ATOM 78 CG1 VAL A 6 5.061 1.825 6.667 1.00 0.98 C ATOM 79 CG2 VAL A 6 7.407 2.446 6.129 1.00 1.25 C ATOM 0 H VAL A 6 7.345 4.548 8.670 1.00 0.44 H new ATOM 0 HA VAL A 6 5.681 4.506 6.235 1.00 0.40 H new ATOM 0 HB VAL A 6 6.581 2.285 8.087 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.343 0.776 6.582 1.00 0.98 H new ATOM 0 HG12 VAL A 6 4.263 1.928 7.403 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.711 2.186 5.700 1.00 0.98 H new ATOM 0 HG21 VAL A 6 7.649 1.386 6.055 1.00 1.25 H new ATOM 0 HG22 VAL A 6 7.115 2.821 5.148 1.00 1.25 H new ATOM 0 HG23 VAL A 6 8.281 2.994 6.481 1.00 1.25 H new ATOM 89 N VAL A 7 3.637 4.880 7.531 1.00 0.38 N ATOM 90 CA VAL A 7 2.429 5.153 8.277 1.00 0.41 C ATOM 91 C VAL A 7 1.446 3.986 8.155 1.00 0.37 C ATOM 92 O VAL A 7 0.537 3.830 8.976 1.00 0.42 O ATOM 93 CB VAL A 7 1.790 6.486 7.832 1.00 0.52 C ATOM 94 CG1 VAL A 7 0.967 6.337 6.560 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.981 7.075 8.964 1.00 1.03 C ATOM 0 H VAL A 7 3.616 5.183 6.557 1.00 0.38 H new ATOM 0 HA VAL A 7 2.692 5.258 9.330 1.00 0.41 H new ATOM 0 HB VAL A 7 2.594 7.180 7.587 1.00 0.52 H new ATOM 0 HG11 VAL A 7 0.539 7.302 6.289 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.607 5.984 5.752 1.00 0.94 H new ATOM 0 HG13 VAL A 7 0.165 5.618 6.728 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.534 8.015 8.641 1.00 1.03 H new ATOM 0 HG22 VAL A 7 0.193 6.378 9.249 1.00 1.03 H new ATOM 0 HG23 VAL A 7 1.631 7.258 9.819 1.00 1.03 H new ATOM 105 N LYS A 8 1.658 3.152 7.142 1.00 0.34 N ATOM 106 CA LYS A 8 0.874 1.940 6.969 1.00 0.35 C ATOM 107 C LYS A 8 1.512 1.030 5.943 1.00 0.31 C ATOM 108 O LYS A 8 1.870 1.452 4.844 1.00 0.35 O ATOM 109 CB LYS A 8 -0.563 2.256 6.555 1.00 0.44 C ATOM 110 CG LYS A 8 -1.441 1.021 6.438 1.00 0.50 C ATOM 111 CD LYS A 8 -1.612 0.335 7.783 1.00 0.57 C ATOM 112 CE LYS A 8 -2.368 -0.976 7.660 1.00 1.01 C ATOM 113 NZ LYS A 8 -2.553 -1.624 8.984 1.00 1.41 N ATOM 0 H LYS A 8 2.370 3.297 6.427 1.00 0.34 H new ATOM 0 HA LYS A 8 0.850 1.431 7.932 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.002 2.938 7.284 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.552 2.777 5.598 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.418 1.303 6.044 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.999 0.324 5.726 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.632 0.149 8.222 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -2.145 0.999 8.463 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.341 -0.795 7.203 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.825 -1.649 6.997 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -3.073 -2.517 8.864 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -1.624 -1.819 9.408 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -3.092 -0.991 9.608 1.00 1.41 H new ATOM 127 N THR A 9 1.659 -0.216 6.332 1.00 0.33 N ATOM 128 CA THR A 9 2.192 -1.247 5.470 1.00 0.32 C ATOM 129 C THR A 9 1.079 -2.205 5.055 1.00 0.35 C ATOM 130 O THR A 9 0.149 -2.461 5.820 1.00 0.39 O ATOM 131 CB THR A 9 3.304 -2.018 6.203 1.00 0.33 C ATOM 132 OG1 THR A 9 4.389 -1.138 6.517 1.00 0.40 O ATOM 133 CG2 THR A 9 3.813 -3.207 5.394 1.00 0.33 C ATOM 0 H THR A 9 1.410 -0.546 7.264 1.00 0.33 H new ATOM 0 HA THR A 9 2.611 -0.783 4.577 1.00 0.32 H new ATOM 0 HB THR A 9 2.873 -2.411 7.124 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.081 -1.213 5.827 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.596 -3.719 5.953 1.00 0.33 H new ATOM 0 HG22 THR A 9 2.991 -3.898 5.206 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.216 -2.855 4.444 1.00 0.33 H new ATOM 141 N TYR A 10 1.171 -2.711 3.840 1.00 0.37 N ATOM 142 CA TYR A 10 0.216 -3.667 3.333 1.00 0.42 C ATOM 143 C TYR A 10 0.889 -4.920 2.878 1.00 0.38 C ATOM 144 O TYR A 10 1.900 -4.894 2.179 1.00 0.35 O ATOM 145 CB TYR A 10 -0.627 -3.062 2.224 1.00 0.47 C ATOM 146 CG TYR A 10 -1.774 -2.279 2.786 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.846 -2.905 3.392 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.788 -0.901 2.669 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.905 -2.171 3.878 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.840 -0.161 3.145 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.876 -0.869 3.894 1.00 0.91 C ATOM 152 OH TYR A 10 -4.957 -0.063 4.219 1.00 1.06 O ATOM 0 H TYR A 10 1.910 -2.469 3.180 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.452 -3.933 4.152 1.00 0.42 H new ATOM 0 HB2 TYR A 10 -0.008 -2.413 1.605 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -1.005 -3.854 1.577 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.854 -3.981 3.486 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -0.957 -0.400 2.195 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.777 -2.685 4.253 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.900 0.904 2.973 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.052 -0.020 5.193 1.00 1.06 H new ATOM 162 N ASP A 11 0.316 -6.017 3.303 1.00 0.42 N ATOM 163 CA ASP A 11 0.848 -7.314 2.984 1.00 0.42 C ATOM 164 C ASP A 11 0.035 -7.919 1.867 1.00 0.39 C ATOM 165 O ASP A 11 -1.182 -8.076 1.976 1.00 0.40 O ATOM 166 CB ASP A 11 0.830 -8.231 4.202 1.00 0.52 C ATOM 167 CG ASP A 11 2.203 -8.801 4.531 1.00 1.25 C ATOM 168 OD1 ASP A 11 3.034 -8.073 5.104 1.00 1.69 O ATOM 169 OD2 ASP A 11 2.466 -9.977 4.192 1.00 1.94 O ATOM 0 H ASP A 11 -0.527 -6.035 3.876 1.00 0.42 H new ATOM 0 HA ASP A 11 1.885 -7.201 2.669 1.00 0.42 H new ATOM 0 HB2 ASP A 11 0.456 -7.677 5.063 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.134 -9.051 4.024 1.00 0.52 H new ATOM 174 N LEU A 12 0.718 -8.246 0.806 1.00 0.38 N ATOM 175 CA LEU A 12 0.085 -8.843 -0.353 1.00 0.41 C ATOM 176 C LEU A 12 -0.044 -10.337 -0.115 1.00 0.54 C ATOM 177 O LEU A 12 0.764 -10.917 0.611 1.00 1.50 O ATOM 178 CB LEU A 12 0.890 -8.572 -1.631 1.00 0.40 C ATOM 179 CG LEU A 12 1.109 -7.092 -1.970 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.731 -6.951 -3.352 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.194 -6.319 -1.896 1.00 1.04 C ATOM 0 H LEU A 12 1.725 -8.110 0.713 1.00 0.38 H new ATOM 0 HA LEU A 12 -0.900 -8.398 -0.492 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.863 -9.053 -1.536 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.380 -9.047 -2.469 1.00 0.40 H new ATOM 0 HG LEU A 12 1.794 -6.673 -1.233 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.880 -5.895 -3.578 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.692 -7.466 -3.373 1.00 1.04 H new ATOM 0 HD13 LEU A 12 1.067 -7.391 -4.096 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.011 -5.273 -2.141 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -0.907 -6.738 -2.606 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.602 -6.390 -0.888 1.00 1.04 H new ATOM 193 N GLN A 13 -1.050 -10.959 -0.709 1.00 0.65 N ATOM 194 CA GLN A 13 -1.280 -12.391 -0.541 1.00 0.62 C ATOM 195 C GLN A 13 -0.157 -13.213 -1.173 1.00 0.62 C ATOM 196 O GLN A 13 -0.081 -14.433 -1.015 1.00 0.74 O ATOM 197 CB GLN A 13 -2.623 -12.766 -1.152 1.00 0.69 C ATOM 198 CG GLN A 13 -3.801 -12.269 -0.339 1.00 0.89 C ATOM 199 CD GLN A 13 -5.143 -12.686 -0.911 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.263 -13.723 -1.567 1.00 1.68 O ATOM 201 NE2 GLN A 13 -6.163 -11.883 -0.662 1.00 1.61 N ATOM 0 H GLN A 13 -1.726 -10.494 -1.316 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.292 -12.617 0.525 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -2.685 -12.356 -2.160 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.684 -13.850 -1.245 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -3.715 -12.646 0.680 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.761 -11.181 -0.281 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -6.022 -11.034 -0.115 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -7.091 -12.113 -1.017 1.00 1.61 H new ATOM 210 N ASP A 14 0.708 -12.520 -1.888 1.00 0.55 N ATOM 211 CA ASP A 14 1.875 -13.121 -2.518 1.00 0.64 C ATOM 212 C ASP A 14 3.031 -13.136 -1.529 1.00 0.54 C ATOM 213 O ASP A 14 3.943 -13.958 -1.611 1.00 0.70 O ATOM 214 CB ASP A 14 2.260 -12.321 -3.772 1.00 0.80 C ATOM 215 CG ASP A 14 3.674 -12.603 -4.244 1.00 1.46 C ATOM 216 OD1 ASP A 14 3.880 -13.635 -4.921 1.00 1.98 O ATOM 217 OD2 ASP A 14 4.582 -11.804 -3.939 1.00 2.11 O ATOM 0 H ASP A 14 0.623 -11.517 -2.051 1.00 0.55 H new ATOM 0 HA ASP A 14 1.644 -14.144 -2.813 1.00 0.64 H new ATOM 0 HB2 ASP A 14 1.561 -12.556 -4.575 1.00 0.80 H new ATOM 0 HB3 ASP A 14 2.158 -11.256 -3.562 1.00 0.80 H new ATOM 222 N GLY A 15 2.945 -12.236 -0.562 1.00 0.55 N ATOM 223 CA GLY A 15 4.003 -12.070 0.407 1.00 0.73 C ATOM 224 C GLY A 15 4.650 -10.712 0.299 1.00 0.75 C ATOM 225 O GLY A 15 5.228 -10.205 1.264 1.00 1.28 O ATOM 0 H GLY A 15 2.150 -11.611 -0.432 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.601 -12.203 1.411 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.756 -12.845 0.260 1.00 0.73 H new ATOM 229 N SER A 16 4.562 -10.129 -0.891 1.00 0.37 N ATOM 230 CA SER A 16 5.154 -8.831 -1.152 1.00 0.35 C ATOM 231 C SER A 16 4.443 -7.756 -0.343 1.00 0.29 C ATOM 232 O SER A 16 3.308 -7.936 0.086 1.00 0.33 O ATOM 233 CB SER A 16 5.108 -8.523 -2.648 1.00 0.44 C ATOM 234 OG SER A 16 5.794 -9.527 -3.390 1.00 1.07 O ATOM 0 H SER A 16 4.083 -10.541 -1.692 1.00 0.37 H new ATOM 0 HA SER A 16 6.199 -8.846 -0.843 1.00 0.35 H new ATOM 0 HB2 SER A 16 4.072 -8.463 -2.980 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.561 -7.550 -2.838 1.00 0.44 H new ATOM 0 HG SER A 16 5.277 -10.359 -3.370 1.00 1.07 H new ATOM 240 N LYS A 17 5.121 -6.652 -0.106 1.00 0.26 N ATOM 241 CA LYS A 17 4.613 -5.641 0.792 1.00 0.28 C ATOM 242 C LYS A 17 4.549 -4.274 0.134 1.00 0.30 C ATOM 243 O LYS A 17 5.363 -3.941 -0.724 1.00 0.43 O ATOM 244 CB LYS A 17 5.502 -5.578 2.031 1.00 0.31 C ATOM 245 CG LYS A 17 5.783 -6.946 2.623 1.00 0.71 C ATOM 246 CD LYS A 17 6.429 -6.845 3.983 1.00 0.66 C ATOM 247 CE LYS A 17 6.676 -8.228 4.566 1.00 0.84 C ATOM 248 NZ LYS A 17 5.471 -9.106 4.474 1.00 1.84 N ATOM 0 H LYS A 17 6.025 -6.434 -0.524 1.00 0.26 H new ATOM 0 HA LYS A 17 3.596 -5.917 1.069 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.446 -5.099 1.771 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.024 -4.952 2.784 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.851 -7.506 2.704 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.434 -7.506 1.952 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.372 -6.305 3.904 1.00 0.66 H new ATOM 0 HD3 LYS A 17 5.789 -6.272 4.653 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.507 -8.699 4.040 1.00 0.84 H new ATOM 0 HE3 LYS A 17 6.974 -8.132 5.610 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 5.564 -9.894 5.146 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 4.620 -8.553 4.704 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 5.389 -9.483 3.508 1.00 1.84 H new ATOM 262 N VAL A 18 3.562 -3.504 0.545 1.00 0.28 N ATOM 263 CA VAL A 18 3.405 -2.122 0.126 1.00 0.30 C ATOM 264 C VAL A 18 3.429 -1.238 1.362 1.00 0.31 C ATOM 265 O VAL A 18 3.047 -1.678 2.436 1.00 0.41 O ATOM 266 CB VAL A 18 2.067 -1.921 -0.636 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.805 -0.444 -0.938 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.055 -2.738 -1.923 1.00 0.36 C ATOM 0 H VAL A 18 2.836 -3.822 1.187 1.00 0.28 H new ATOM 0 HA VAL A 18 4.219 -1.857 -0.548 1.00 0.30 H new ATOM 0 HB VAL A 18 1.264 -2.274 0.012 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.860 -0.344 -1.472 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.755 0.115 -0.004 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.613 -0.050 -1.554 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.109 -2.584 -2.443 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.877 -2.420 -2.564 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.170 -3.795 -1.684 1.00 0.36 H new ATOM 278 N HIS A 19 3.922 -0.023 1.243 1.00 0.29 N ATOM 279 CA HIS A 19 3.827 0.917 2.347 1.00 0.29 C ATOM 280 C HIS A 19 3.387 2.263 1.838 1.00 0.30 C ATOM 281 O HIS A 19 3.863 2.729 0.803 1.00 0.34 O ATOM 282 CB HIS A 19 5.158 1.116 3.083 1.00 0.32 C ATOM 283 CG HIS A 19 5.959 -0.121 3.284 1.00 0.32 C ATOM 284 ND1 HIS A 19 5.923 -0.890 4.422 1.00 0.67 N ATOM 285 CD2 HIS A 19 6.840 -0.704 2.466 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.757 -1.902 4.288 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.326 -1.814 3.108 1.00 0.41 N ATOM 0 H HIS A 19 4.386 0.336 0.408 1.00 0.29 H new ATOM 0 HA HIS A 19 3.105 0.492 3.044 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.760 1.833 2.525 1.00 0.32 H new ATOM 0 HB3 HIS A 19 4.954 1.560 4.057 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.118 -0.363 1.480 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.941 -2.672 5.023 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.016 -2.464 2.731 1.00 0.41 H new ATOM 296 N VAL A 20 2.485 2.878 2.563 1.00 0.31 N ATOM 297 CA VAL A 20 2.188 4.270 2.357 1.00 0.33 C ATOM 298 C VAL A 20 3.021 5.042 3.358 1.00 0.32 C ATOM 299 O VAL A 20 2.808 4.956 4.569 1.00 0.33 O ATOM 300 CB VAL A 20 0.691 4.590 2.517 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.423 6.065 2.229 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.135 3.697 1.594 1.00 0.81 C ATOM 0 H VAL A 20 1.943 2.432 3.303 1.00 0.31 H new ATOM 0 HA VAL A 20 2.431 4.552 1.333 1.00 0.33 H new ATOM 0 HB VAL A 20 0.397 4.391 3.547 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.641 6.271 2.347 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.992 6.681 2.926 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.726 6.297 1.208 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.193 3.930 1.714 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.160 3.871 0.559 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.037 2.651 1.849 1.00 0.81 H new ATOM 312 N PHE A 21 4.011 5.733 2.850 1.00 0.34 N ATOM 313 CA PHE A 21 5.000 6.368 3.684 1.00 0.37 C ATOM 314 C PHE A 21 4.456 7.664 4.274 1.00 0.39 C ATOM 315 O PHE A 21 3.546 8.276 3.716 1.00 0.40 O ATOM 316 CB PHE A 21 6.275 6.614 2.870 1.00 0.40 C ATOM 317 CG PHE A 21 7.052 5.353 2.548 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.721 4.540 1.463 1.00 0.37 C ATOM 319 CD2 PHE A 21 8.128 4.984 3.336 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.450 3.400 1.190 1.00 0.39 C ATOM 321 CE2 PHE A 21 8.857 3.842 3.061 1.00 0.64 C ATOM 322 CZ PHE A 21 8.516 3.051 1.987 1.00 0.51 C ATOM 0 H PHE A 21 4.154 5.871 1.849 1.00 0.34 H new ATOM 0 HA PHE A 21 5.244 5.710 4.518 1.00 0.37 H new ATOM 0 HB2 PHE A 21 6.009 7.113 1.938 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.921 7.296 3.423 1.00 0.40 H new ATOM 0 HD1 PHE A 21 5.886 4.805 0.831 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.403 5.599 4.180 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.183 2.780 0.347 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.693 3.571 3.688 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.084 2.158 1.770 1.00 0.51 H new ATOM 332 N LYS A 22 5.024 8.076 5.399 1.00 0.44 N ATOM 333 CA LYS A 22 4.595 9.282 6.105 1.00 0.50 C ATOM 334 C LYS A 22 4.952 10.521 5.295 1.00 0.52 C ATOM 335 O LYS A 22 4.409 11.607 5.501 1.00 0.57 O ATOM 336 CB LYS A 22 5.279 9.327 7.473 1.00 0.61 C ATOM 337 CG LYS A 22 4.781 8.258 8.435 1.00 1.37 C ATOM 338 CD LYS A 22 5.782 7.968 9.545 1.00 1.46 C ATOM 339 CE LYS A 22 6.217 9.226 10.278 1.00 2.02 C ATOM 340 NZ LYS A 22 7.130 8.907 11.407 1.00 2.87 N ATOM 0 H LYS A 22 5.796 7.585 5.851 1.00 0.44 H new ATOM 0 HA LYS A 22 3.513 9.262 6.239 1.00 0.50 H new ATOM 0 HB2 LYS A 22 6.354 9.210 7.337 1.00 0.61 H new ATOM 0 HB3 LYS A 22 5.119 10.309 7.919 1.00 0.61 H new ATOM 0 HG2 LYS A 22 3.837 8.580 8.875 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.579 7.341 7.882 1.00 1.37 H new ATOM 0 HD2 LYS A 22 5.339 7.271 10.257 1.00 1.46 H new ATOM 0 HD3 LYS A 22 6.658 7.477 9.121 1.00 1.46 H new ATOM 0 HE2 LYS A 22 6.717 9.900 9.582 1.00 2.02 H new ATOM 0 HE3 LYS A 22 5.339 9.751 10.655 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 7.644 9.765 11.691 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 6.576 8.553 12.212 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 7.810 8.179 11.108 1.00 2.87 H new ATOM 354 N ASP A 23 5.875 10.325 4.368 1.00 0.54 N ATOM 355 CA ASP A 23 6.341 11.366 3.472 1.00 0.61 C ATOM 356 C ASP A 23 5.360 11.474 2.330 1.00 0.59 C ATOM 357 O ASP A 23 5.431 12.362 1.485 1.00 0.67 O ATOM 358 CB ASP A 23 7.745 11.007 2.965 1.00 0.68 C ATOM 359 CG ASP A 23 8.382 12.093 2.123 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.812 13.116 2.692 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.445 11.929 0.888 1.00 1.97 O ATOM 0 H ASP A 23 6.327 9.424 4.216 1.00 0.54 H new ATOM 0 HA ASP A 23 6.403 12.326 3.984 1.00 0.61 H new ATOM 0 HB2 ASP A 23 8.388 10.797 3.820 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.687 10.091 2.378 1.00 0.68 H new ATOM 366 N GLY A 24 4.420 10.546 2.340 1.00 0.53 N ATOM 367 CA GLY A 24 3.382 10.541 1.361 1.00 0.53 C ATOM 368 C GLY A 24 3.742 9.753 0.123 1.00 0.53 C ATOM 369 O GLY A 24 3.011 9.769 -0.867 1.00 0.58 O ATOM 0 H GLY A 24 4.366 9.790 3.023 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.477 10.122 1.801 1.00 0.53 H new ATOM 0 HA3 GLY A 24 3.153 11.568 1.077 1.00 0.53 H new ATOM 373 N LYS A 25 4.882 9.085 0.168 1.00 0.50 N ATOM 374 CA LYS A 25 5.276 8.189 -0.900 1.00 0.51 C ATOM 375 C LYS A 25 4.702 6.809 -0.677 1.00 0.42 C ATOM 376 O LYS A 25 4.055 6.542 0.334 1.00 0.41 O ATOM 377 CB LYS A 25 6.785 8.092 -1.000 1.00 0.62 C ATOM 378 CG LYS A 25 7.422 9.366 -1.492 1.00 0.94 C ATOM 379 CD LYS A 25 8.909 9.189 -1.697 1.00 1.49 C ATOM 380 CE LYS A 25 9.628 8.889 -0.390 1.00 1.50 C ATOM 381 NZ LYS A 25 11.072 8.608 -0.608 1.00 1.74 N ATOM 0 H LYS A 25 5.551 9.148 0.936 1.00 0.50 H new ATOM 0 HA LYS A 25 4.885 8.597 -1.832 1.00 0.51 H new ATOM 0 HB2 LYS A 25 7.194 7.842 -0.021 1.00 0.62 H new ATOM 0 HB3 LYS A 25 7.048 7.276 -1.673 1.00 0.62 H new ATOM 0 HG2 LYS A 25 6.957 9.670 -2.430 1.00 0.94 H new ATOM 0 HG3 LYS A 25 7.244 10.166 -0.773 1.00 0.94 H new ATOM 0 HD2 LYS A 25 9.084 8.377 -2.403 1.00 1.49 H new ATOM 0 HD3 LYS A 25 9.325 10.093 -2.141 1.00 1.49 H new ATOM 0 HE2 LYS A 25 9.520 9.736 0.287 1.00 1.50 H new ATOM 0 HE3 LYS A 25 9.160 8.032 0.095 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 11.528 8.408 0.305 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 11.175 7.784 -1.234 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 11.524 9.435 -1.047 1.00 1.74 H new ATOM 395 N MET A 26 4.961 5.941 -1.620 1.00 0.42 N ATOM 396 CA MET A 26 4.539 4.558 -1.539 1.00 0.41 C ATOM 397 C MET A 26 5.644 3.668 -2.067 1.00 0.42 C ATOM 398 O MET A 26 6.311 4.009 -3.041 1.00 0.49 O ATOM 399 CB MET A 26 3.241 4.310 -2.318 1.00 0.47 C ATOM 400 CG MET A 26 2.013 4.974 -1.705 1.00 0.73 C ATOM 401 SD MET A 26 1.768 6.677 -2.255 1.00 1.07 S ATOM 402 CE MET A 26 1.268 6.415 -3.953 1.00 0.76 C ATOM 0 H MET A 26 5.473 6.170 -2.472 1.00 0.42 H new ATOM 0 HA MET A 26 4.338 4.323 -0.494 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.367 4.673 -3.338 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.067 3.236 -2.381 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.129 4.388 -1.956 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.106 4.961 -0.619 1.00 0.73 H new ATOM 0 HE1 MET A 26 1.954 6.938 -4.619 1.00 0.76 H new ATOM 0 HE2 MET A 26 1.287 5.349 -4.178 1.00 0.76 H new ATOM 0 HE3 MET A 26 0.258 6.798 -4.098 1.00 0.76 H new ATOM 412 N GLY A 27 5.854 2.546 -1.415 1.00 0.39 N ATOM 413 CA GLY A 27 6.937 1.673 -1.800 1.00 0.39 C ATOM 414 C GLY A 27 6.546 0.220 -1.742 1.00 0.32 C ATOM 415 O GLY A 27 5.694 -0.164 -0.940 1.00 0.33 O ATOM 0 H GLY A 27 5.296 2.221 -0.626 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.259 1.921 -2.812 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.790 1.844 -1.143 1.00 0.39 H new ATOM 419 N MET A 28 7.174 -0.587 -2.579 1.00 0.28 N ATOM 420 CA MET A 28 6.852 -1.998 -2.660 1.00 0.27 C ATOM 421 C MET A 28 8.084 -2.850 -2.378 1.00 0.26 C ATOM 422 O MET A 28 9.198 -2.503 -2.770 1.00 0.31 O ATOM 423 CB MET A 28 6.287 -2.328 -4.046 1.00 0.34 C ATOM 424 CG MET A 28 5.809 -3.765 -4.189 1.00 0.45 C ATOM 425 SD MET A 28 5.235 -4.148 -5.854 1.00 0.87 S ATOM 426 CE MET A 28 4.725 -5.853 -5.648 1.00 0.72 C ATOM 0 H MET A 28 7.913 -0.286 -3.214 1.00 0.28 H new ATOM 0 HA MET A 28 6.099 -2.225 -1.905 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.456 -1.656 -4.258 1.00 0.34 H new ATOM 0 HB3 MET A 28 7.054 -2.134 -4.796 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.622 -4.441 -3.925 1.00 0.45 H new ATOM 0 HG3 MET A 28 5.001 -3.946 -3.480 1.00 0.45 H new ATOM 0 HE1 MET A 28 4.344 -6.236 -6.595 1.00 0.72 H new ATOM 0 HE2 MET A 28 5.579 -6.452 -5.332 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.942 -5.910 -4.892 1.00 0.72 H new ATOM 436 N GLU A 29 7.868 -3.953 -1.685 1.00 0.24 N ATOM 437 CA GLU A 29 8.908 -4.932 -1.414 1.00 0.26 C ATOM 438 C GLU A 29 8.368 -6.301 -1.774 1.00 0.27 C ATOM 439 O GLU A 29 7.165 -6.507 -1.720 1.00 0.29 O ATOM 440 CB GLU A 29 9.330 -4.899 0.064 1.00 0.34 C ATOM 441 CG GLU A 29 10.190 -3.695 0.415 1.00 0.47 C ATOM 442 CD GLU A 29 10.336 -3.477 1.907 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.303 -3.328 2.588 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.484 -3.431 2.402 1.00 1.14 O ATOM 0 H GLU A 29 6.960 -4.198 -1.291 1.00 0.24 H new ATOM 0 HA GLU A 29 9.791 -4.701 -2.009 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.438 -4.895 0.690 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.880 -5.811 0.299 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.179 -3.823 -0.025 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.754 -2.803 -0.035 1.00 0.47 H new ATOM 451 N ASN A 30 9.225 -7.225 -2.160 1.00 0.32 N ATOM 452 CA ASN A 30 8.757 -8.562 -2.494 1.00 0.39 C ATOM 453 C ASN A 30 8.644 -9.398 -1.224 1.00 0.42 C ATOM 454 O ASN A 30 9.083 -8.973 -0.155 1.00 0.42 O ATOM 455 CB ASN A 30 9.680 -9.246 -3.518 1.00 0.47 C ATOM 456 CG ASN A 30 10.998 -9.714 -2.929 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.485 -9.170 -1.946 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.583 -10.730 -3.535 1.00 1.12 N ATOM 0 H ASN A 30 10.231 -7.083 -2.250 1.00 0.32 H new ATOM 0 HA ASN A 30 7.773 -8.476 -2.955 1.00 0.39 H new ATOM 0 HB2 ASN A 30 9.160 -10.101 -3.949 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.882 -8.552 -4.334 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.472 -11.088 -3.187 1.00 1.12 H new ATOM 0 HD22 ASN A 30 11.146 -11.157 -4.352 1.00 1.12 H new ATOM 465 N LYS A 31 7.993 -10.550 -1.341 1.00 0.48 N ATOM 466 CA LYS A 31 7.881 -11.550 -0.260 1.00 0.54 C ATOM 467 C LYS A 31 9.218 -11.948 0.396 1.00 0.58 C ATOM 468 O LYS A 31 9.246 -12.839 1.246 1.00 0.69 O ATOM 469 CB LYS A 31 7.196 -12.797 -0.813 1.00 0.62 C ATOM 470 CG LYS A 31 7.666 -13.173 -2.203 1.00 0.66 C ATOM 471 CD LYS A 31 6.916 -14.377 -2.736 1.00 0.78 C ATOM 472 CE LYS A 31 7.194 -14.587 -4.214 1.00 1.32 C ATOM 473 NZ LYS A 31 6.600 -13.508 -5.048 1.00 1.77 N ATOM 0 H LYS A 31 7.517 -10.829 -2.199 1.00 0.48 H new ATOM 0 HA LYS A 31 7.296 -11.079 0.531 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.378 -13.633 -0.137 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.119 -12.632 -0.834 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.525 -12.328 -2.877 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.734 -13.389 -2.181 1.00 0.66 H new ATOM 0 HD2 LYS A 31 7.208 -15.267 -2.178 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.846 -14.240 -2.580 1.00 0.78 H new ATOM 0 HE2 LYS A 31 8.271 -14.623 -4.380 1.00 1.32 H new ATOM 0 HE3 LYS A 31 6.791 -15.551 -4.526 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 7.169 -13.382 -5.909 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.628 -13.768 -5.310 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 6.587 -12.619 -4.508 1.00 1.77 H new ATOM 487 N PHE A 32 10.309 -11.303 0.012 1.00 0.58 N ATOM 488 CA PHE A 32 11.609 -11.575 0.609 1.00 0.63 C ATOM 489 C PHE A 32 12.219 -10.308 1.201 1.00 0.56 C ATOM 490 O PHE A 32 13.339 -10.334 1.720 1.00 0.62 O ATOM 491 CB PHE A 32 12.552 -12.193 -0.424 1.00 0.69 C ATOM 492 CG PHE A 32 12.051 -13.495 -0.973 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.245 -14.677 -0.279 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.369 -13.533 -2.176 1.00 0.83 C ATOM 495 CE1 PHE A 32 11.768 -15.871 -0.777 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.892 -14.723 -2.679 1.00 0.96 C ATOM 497 CZ PHE A 32 11.090 -15.895 -1.979 1.00 1.07 C ATOM 0 H PHE A 32 10.320 -10.585 -0.713 1.00 0.58 H new ATOM 0 HA PHE A 32 11.465 -12.288 1.421 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.693 -11.490 -1.245 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.529 -12.350 0.033 1.00 0.69 H new ATOM 0 HD1 PHE A 32 12.775 -14.664 0.662 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.209 -12.618 -2.727 1.00 0.83 H new ATOM 0 HE1 PHE A 32 11.925 -16.787 -0.227 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.363 -14.739 -3.621 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.715 -16.829 -2.371 1.00 1.07 H new ATOM 507 N GLY A 33 11.483 -9.200 1.143 1.00 0.49 N ATOM 508 CA GLY A 33 11.949 -7.978 1.756 1.00 0.49 C ATOM 509 C GLY A 33 12.917 -7.212 0.883 1.00 0.45 C ATOM 510 O GLY A 33 13.787 -6.501 1.386 1.00 0.54 O ATOM 0 H GLY A 33 10.575 -9.132 0.683 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.093 -7.343 1.984 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.432 -8.215 2.704 1.00 0.49 H new ATOM 514 N LYS A 34 12.792 -7.379 -0.419 1.00 0.42 N ATOM 515 CA LYS A 34 13.605 -6.622 -1.357 1.00 0.52 C ATOM 516 C LYS A 34 12.809 -5.477 -1.932 1.00 0.38 C ATOM 517 O LYS A 34 11.689 -5.645 -2.413 1.00 0.72 O ATOM 518 CB LYS A 34 14.138 -7.514 -2.468 1.00 0.85 C ATOM 519 CG LYS A 34 14.956 -8.668 -1.934 1.00 1.17 C ATOM 520 CD LYS A 34 16.390 -8.269 -1.616 1.00 1.92 C ATOM 521 CE LYS A 34 17.186 -7.955 -2.873 1.00 2.73 C ATOM 522 NZ LYS A 34 18.619 -7.711 -2.567 1.00 3.25 N ATOM 0 H LYS A 34 12.138 -8.030 -0.853 1.00 0.42 H new ATOM 0 HA LYS A 34 14.460 -6.218 -0.815 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.303 -7.902 -3.051 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.751 -6.920 -3.146 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.483 -9.058 -1.033 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.961 -9.475 -2.667 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.387 -7.397 -0.962 1.00 1.92 H new ATOM 0 HD3 LYS A 34 16.878 -9.076 -1.070 1.00 1.92 H new ATOM 0 HE2 LYS A 34 17.100 -8.784 -3.575 1.00 2.73 H new ATOM 0 HE3 LYS A 34 16.763 -7.077 -3.362 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 19.131 -7.500 -3.447 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 18.702 -6.904 -1.916 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 19.028 -8.558 -2.123 1.00 3.25 H new ATOM 536 N SER A 35 13.417 -4.322 -1.876 1.00 0.46 N ATOM 537 CA SER A 35 12.745 -3.079 -2.217 1.00 0.48 C ATOM 538 C SER A 35 12.686 -2.838 -3.725 1.00 0.58 C ATOM 539 O SER A 35 13.705 -2.883 -4.420 1.00 0.74 O ATOM 540 CB SER A 35 13.428 -1.919 -1.502 1.00 0.69 C ATOM 541 OG SER A 35 14.841 -1.996 -1.623 1.00 1.55 O ATOM 0 H SER A 35 14.391 -4.207 -1.594 1.00 0.46 H new ATOM 0 HA SER A 35 11.711 -3.154 -1.881 1.00 0.48 H new ATOM 0 HB2 SER A 35 13.076 -0.975 -1.919 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.151 -1.925 -0.448 1.00 0.69 H new ATOM 0 HG SER A 35 15.251 -1.238 -1.156 1.00 1.55 H new ATOM 547 N MET A 36 11.484 -2.580 -4.216 1.00 0.58 N ATOM 548 CA MET A 36 11.260 -2.290 -5.626 1.00 0.76 C ATOM 549 C MET A 36 10.478 -0.988 -5.758 1.00 0.87 C ATOM 550 O MET A 36 10.286 -0.275 -4.770 1.00 0.94 O ATOM 551 CB MET A 36 10.496 -3.440 -6.291 1.00 0.81 C ATOM 552 CG MET A 36 11.208 -4.781 -6.196 1.00 1.07 C ATOM 553 SD MET A 36 10.325 -6.109 -7.038 1.00 1.38 S ATOM 554 CE MET A 36 8.782 -6.130 -6.126 1.00 1.15 C ATOM 0 H MET A 36 10.636 -2.565 -3.650 1.00 0.58 H new ATOM 0 HA MET A 36 12.222 -2.183 -6.128 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.513 -3.527 -5.829 1.00 0.81 H new ATOM 0 HB3 MET A 36 10.334 -3.198 -7.341 1.00 0.81 H new ATOM 0 HG2 MET A 36 12.206 -4.687 -6.624 1.00 1.07 H new ATOM 0 HG3 MET A 36 11.335 -5.045 -5.146 1.00 1.07 H new ATOM 0 HE1 MET A 36 8.278 -7.083 -6.286 1.00 1.15 H new ATOM 0 HE2 MET A 36 8.986 -6.001 -5.063 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.143 -5.319 -6.474 1.00 1.15 H new ATOM 564 N ASN A 37 10.049 -0.665 -6.969 1.00 1.03 N ATOM 565 CA ASN A 37 9.233 0.526 -7.191 1.00 1.17 C ATOM 566 C ASN A 37 7.762 0.142 -7.249 1.00 0.99 C ATOM 567 O ASN A 37 7.428 -1.001 -7.563 1.00 1.03 O ATOM 568 CB ASN A 37 9.638 1.254 -8.479 1.00 1.55 C ATOM 569 CG ASN A 37 10.929 2.049 -8.342 1.00 2.18 C ATOM 570 OD1 ASN A 37 11.083 3.112 -8.944 1.00 2.78 O ATOM 571 ND2 ASN A 37 11.872 1.546 -7.562 1.00 2.51 N ATOM 0 H ASN A 37 10.249 -1.205 -7.811 1.00 1.03 H new ATOM 0 HA ASN A 37 9.399 1.208 -6.357 1.00 1.17 H new ATOM 0 HB2 ASN A 37 9.753 0.524 -9.280 1.00 1.55 H new ATOM 0 HB3 ASN A 37 8.834 1.928 -8.775 1.00 1.55 H new ATOM 0 HD21 ASN A 37 12.756 2.041 -7.446 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.715 0.663 -7.076 1.00 2.51 H new ATOM 578 N MET A 38 6.895 1.097 -6.955 1.00 1.01 N ATOM 579 CA MET A 38 5.462 0.840 -6.892 1.00 0.99 C ATOM 580 C MET A 38 4.840 0.890 -8.286 1.00 0.86 C ATOM 581 O MET A 38 4.967 1.886 -9.000 1.00 0.81 O ATOM 582 CB MET A 38 4.782 1.859 -5.967 1.00 1.23 C ATOM 583 CG MET A 38 3.289 1.633 -5.797 1.00 0.95 C ATOM 584 SD MET A 38 2.904 0.078 -4.970 1.00 1.15 S ATOM 585 CE MET A 38 1.114 0.132 -4.979 1.00 1.32 C ATOM 0 H MET A 38 7.158 2.062 -6.755 1.00 1.01 H new ATOM 0 HA MET A 38 5.309 -0.160 -6.487 1.00 0.99 H new ATOM 0 HB2 MET A 38 5.259 1.822 -4.988 1.00 1.23 H new ATOM 0 HB3 MET A 38 4.945 2.861 -6.363 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.865 2.458 -5.224 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.811 1.646 -6.776 1.00 0.95 H new ATOM 0 HE1 MET A 38 0.748 0.231 -3.957 1.00 1.32 H new ATOM 0 HE2 MET A 38 0.779 0.985 -5.569 1.00 1.32 H new ATOM 0 HE3 MET A 38 0.724 -0.787 -5.417 1.00 1.32 H new ATOM 595 N PRO A 39 4.184 -0.200 -8.701 1.00 0.92 N ATOM 596 CA PRO A 39 3.544 -0.279 -10.008 1.00 0.91 C ATOM 597 C PRO A 39 2.195 0.433 -10.051 1.00 0.76 C ATOM 598 O PRO A 39 1.252 0.066 -9.347 1.00 0.83 O ATOM 599 CB PRO A 39 3.370 -1.779 -10.222 1.00 1.16 C ATOM 600 CG PRO A 39 3.255 -2.356 -8.851 1.00 1.24 C ATOM 601 CD PRO A 39 4.028 -1.446 -7.928 1.00 1.13 C ATOM 0 HA PRO A 39 4.137 0.212 -10.780 1.00 0.91 H new ATOM 0 HB2 PRO A 39 2.481 -1.992 -10.815 1.00 1.16 H new ATOM 0 HB3 PRO A 39 4.220 -2.202 -10.758 1.00 1.16 H new ATOM 0 HG2 PRO A 39 2.211 -2.420 -8.545 1.00 1.24 H new ATOM 0 HG3 PRO A 39 3.658 -3.368 -8.823 1.00 1.24 H new ATOM 0 HD2 PRO A 39 3.490 -1.273 -6.996 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.995 -1.875 -7.663 1.00 1.13 H new ATOM 609 N GLU A 40 2.112 1.450 -10.891 1.00 0.77 N ATOM 610 CA GLU A 40 0.892 2.231 -11.022 1.00 0.69 C ATOM 611 C GLU A 40 -0.039 1.598 -12.057 1.00 0.73 C ATOM 612 O GLU A 40 0.412 1.110 -13.096 1.00 1.09 O ATOM 613 CB GLU A 40 1.220 3.678 -11.412 1.00 0.76 C ATOM 614 CG GLU A 40 -0.006 4.575 -11.479 1.00 0.72 C ATOM 615 CD GLU A 40 0.323 6.014 -11.807 1.00 0.94 C ATOM 616 OE1 GLU A 40 0.475 6.337 -13.000 1.00 1.15 O ATOM 617 OE2 GLU A 40 0.460 6.824 -10.864 1.00 1.09 O ATOM 0 H GLU A 40 2.876 1.756 -11.494 1.00 0.77 H new ATOM 0 HA GLU A 40 0.383 2.240 -10.058 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.925 4.091 -10.690 1.00 0.76 H new ATOM 0 HB3 GLU A 40 1.718 3.682 -12.382 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -0.692 4.186 -12.232 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.528 4.538 -10.523 1.00 0.72 H new ATOM 624 N GLY A 41 -1.333 1.591 -11.757 1.00 0.64 N ATOM 625 CA GLY A 41 -2.315 1.084 -12.697 1.00 0.66 C ATOM 626 C GLY A 41 -2.909 -0.246 -12.283 1.00 0.62 C ATOM 627 O GLY A 41 -3.880 -0.708 -12.883 1.00 0.68 O ATOM 0 H GLY A 41 -1.720 1.929 -10.876 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -3.117 1.815 -12.804 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -1.849 0.977 -13.676 1.00 0.66 H new ATOM 631 N LYS A 42 -2.345 -0.864 -11.256 1.00 0.59 N ATOM 632 CA LYS A 42 -2.781 -2.193 -10.843 1.00 0.59 C ATOM 633 C LYS A 42 -3.521 -2.169 -9.517 1.00 0.52 C ATOM 634 O LYS A 42 -3.041 -1.590 -8.543 1.00 0.54 O ATOM 635 CB LYS A 42 -1.586 -3.130 -10.698 1.00 0.67 C ATOM 636 CG LYS A 42 -0.803 -3.349 -11.982 1.00 0.85 C ATOM 637 CD LYS A 42 0.286 -4.396 -11.797 1.00 1.45 C ATOM 638 CE LYS A 42 -0.298 -5.752 -11.430 1.00 1.85 C ATOM 639 NZ LYS A 42 -1.138 -6.312 -12.520 1.00 2.30 N ATOM 0 H LYS A 42 -1.589 -0.471 -10.695 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.457 -2.548 -11.621 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -0.914 -2.728 -9.940 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -1.938 -4.095 -10.332 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.482 -3.664 -12.775 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.355 -2.408 -12.301 1.00 0.85 H new ATOM 0 HD2 LYS A 42 0.866 -4.485 -12.716 1.00 1.45 H new ATOM 0 HD3 LYS A 42 0.974 -4.072 -11.016 1.00 1.45 H new ATOM 0 HE2 LYS A 42 0.512 -6.446 -11.204 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -0.897 -5.655 -10.524 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -1.376 -7.301 -12.302 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.013 -5.756 -12.605 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -0.614 -6.272 -13.418 1.00 2.30 H new ATOM 653 N VAL A 43 -4.679 -2.819 -9.482 1.00 0.48 N ATOM 654 CA VAL A 43 -5.380 -3.044 -8.231 1.00 0.45 C ATOM 655 C VAL A 43 -5.128 -4.475 -7.767 1.00 0.39 C ATOM 656 O VAL A 43 -5.243 -5.428 -8.544 1.00 0.46 O ATOM 657 CB VAL A 43 -6.903 -2.738 -8.319 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.607 -3.610 -9.343 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.567 -2.890 -6.957 1.00 0.93 C ATOM 0 H VAL A 43 -5.148 -3.197 -10.305 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.984 -2.343 -7.496 1.00 0.45 H new ATOM 0 HB VAL A 43 -6.997 -1.703 -8.648 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.667 -3.359 -9.367 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.171 -3.439 -10.327 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.489 -4.659 -9.071 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.631 -2.671 -7.045 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.435 -3.911 -6.600 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -7.111 -2.197 -6.250 1.00 0.93 H new ATOM 669 N MET A 44 -4.757 -4.614 -6.508 1.00 0.35 N ATOM 670 CA MET A 44 -4.359 -5.899 -5.955 1.00 0.36 C ATOM 671 C MET A 44 -5.008 -6.102 -4.603 1.00 0.34 C ATOM 672 O MET A 44 -5.638 -5.186 -4.071 1.00 0.39 O ATOM 673 CB MET A 44 -2.839 -5.971 -5.803 1.00 0.46 C ATOM 674 CG MET A 44 -2.083 -6.004 -7.124 1.00 0.76 C ATOM 675 SD MET A 44 -0.293 -5.957 -6.902 1.00 1.31 S ATOM 676 CE MET A 44 -0.093 -4.370 -6.095 1.00 1.20 C ATOM 0 H MET A 44 -4.722 -3.844 -5.840 1.00 0.35 H new ATOM 0 HA MET A 44 -4.684 -6.683 -6.639 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.501 -5.111 -5.225 1.00 0.46 H new ATOM 0 HB3 MET A 44 -2.584 -6.861 -5.228 1.00 0.46 H new ATOM 0 HG2 MET A 44 -2.354 -6.907 -7.671 1.00 0.76 H new ATOM 0 HG3 MET A 44 -2.392 -5.157 -7.736 1.00 0.76 H new ATOM 0 HE1 MET A 44 0.801 -3.878 -6.477 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.964 -3.747 -6.296 1.00 1.20 H new ATOM 0 HE3 MET A 44 0.006 -4.519 -5.020 1.00 1.20 H new ATOM 686 N GLU A 45 -4.848 -7.290 -4.043 1.00 0.31 N ATOM 687 CA GLU A 45 -5.414 -7.572 -2.740 1.00 0.34 C ATOM 688 C GLU A 45 -4.355 -7.640 -1.656 1.00 0.30 C ATOM 689 O GLU A 45 -3.157 -7.768 -1.913 1.00 0.35 O ATOM 690 CB GLU A 45 -6.203 -8.880 -2.723 1.00 0.47 C ATOM 691 CG GLU A 45 -7.579 -8.792 -3.352 1.00 0.99 C ATOM 692 CD GLU A 45 -7.529 -8.840 -4.861 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.055 -9.849 -5.415 1.00 1.43 O ATOM 694 OE2 GLU A 45 -7.952 -7.856 -5.499 1.00 1.64 O ATOM 0 H GLU A 45 -4.337 -8.064 -4.466 1.00 0.31 H new ATOM 0 HA GLU A 45 -6.088 -6.740 -2.535 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.627 -9.644 -3.245 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -6.310 -9.212 -1.690 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -8.196 -9.613 -2.986 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -8.061 -7.866 -3.037 1.00 0.99 H new ATOM 701 N THR A 46 -4.848 -7.576 -0.443 1.00 0.29 N ATOM 702 CA THR A 46 -4.034 -7.738 0.737 1.00 0.31 C ATOM 703 C THR A 46 -4.363 -9.072 1.383 1.00 0.39 C ATOM 704 O THR A 46 -5.401 -9.671 1.081 1.00 0.49 O ATOM 705 CB THR A 46 -4.260 -6.605 1.751 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.588 -6.678 2.276 1.00 0.53 O ATOM 707 CG2 THR A 46 -4.041 -5.246 1.104 1.00 0.50 C ATOM 0 H THR A 46 -5.835 -7.408 -0.245 1.00 0.29 H new ATOM 0 HA THR A 46 -2.987 -7.705 0.436 1.00 0.31 H new ATOM 0 HB THR A 46 -3.540 -6.724 2.561 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.619 -6.235 3.150 1.00 0.53 H new ATOM 0 HG21 THR A 46 -4.207 -4.461 1.842 1.00 0.50 H new ATOM 0 HG22 THR A 46 -3.019 -5.182 0.729 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.740 -5.120 0.277 1.00 0.50 H new ATOM 715 N ARG A 47 -3.481 -9.545 2.248 1.00 0.39 N ATOM 716 CA ARG A 47 -3.707 -10.772 3.003 1.00 0.51 C ATOM 717 C ARG A 47 -5.010 -10.731 3.794 1.00 0.72 C ATOM 718 O ARG A 47 -5.587 -11.770 4.107 1.00 0.92 O ATOM 719 CB ARG A 47 -2.534 -11.003 3.945 1.00 0.54 C ATOM 720 CG ARG A 47 -1.294 -11.507 3.227 1.00 0.95 C ATOM 721 CD ARG A 47 -0.083 -11.573 4.136 1.00 1.27 C ATOM 722 NE ARG A 47 -0.187 -12.585 5.181 1.00 2.09 N ATOM 723 CZ ARG A 47 0.770 -12.790 6.084 1.00 2.77 C ATOM 724 NH1 ARG A 47 1.884 -12.064 6.049 1.00 2.94 N ATOM 725 NH2 ARG A 47 0.624 -13.721 7.014 1.00 3.73 N ATOM 0 H ARG A 47 -2.589 -9.092 2.448 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.789 -11.594 2.292 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.297 -10.071 4.459 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.824 -11.724 4.709 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.492 -12.498 2.819 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -1.076 -10.853 2.383 1.00 0.95 H new ATOM 0 HD2 ARG A 47 0.802 -11.776 3.533 1.00 1.27 H new ATOM 0 HD3 ARG A 47 0.065 -10.598 4.600 1.00 1.27 H new ATOM 0 HE ARG A 47 -1.028 -13.160 5.222 1.00 2.09 H new ATOM 0 HH11 ARG A 47 2.005 -11.350 5.330 1.00 2.94 H new ATOM 0 HH12 ARG A 47 2.617 -12.221 6.741 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -0.225 -14.286 7.041 1.00 3.73 H new ATOM 0 HH22 ARG A 47 1.360 -13.873 7.703 1.00 3.73 H new ATOM 739 N ASP A 48 -5.488 -9.531 4.096 1.00 0.78 N ATOM 740 CA ASP A 48 -6.679 -9.380 4.917 1.00 1.06 C ATOM 741 C ASP A 48 -7.917 -9.143 4.052 1.00 1.04 C ATOM 742 O ASP A 48 -9.031 -9.050 4.561 1.00 1.45 O ATOM 743 CB ASP A 48 -6.488 -8.244 5.925 1.00 1.30 C ATOM 744 CG ASP A 48 -6.531 -6.862 5.295 1.00 1.83 C ATOM 745 OD1 ASP A 48 -5.483 -6.385 4.807 1.00 2.70 O ATOM 746 OD2 ASP A 48 -7.616 -6.247 5.273 1.00 1.79 O ATOM 0 H ASP A 48 -5.071 -8.653 3.786 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.835 -10.307 5.468 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -7.264 -8.311 6.688 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.531 -8.375 6.431 1.00 1.30 H new ATOM 751 N GLY A 49 -7.715 -9.051 2.740 1.00 0.68 N ATOM 752 CA GLY A 49 -8.837 -8.965 1.826 1.00 0.72 C ATOM 753 C GLY A 49 -9.166 -7.547 1.413 1.00 0.70 C ATOM 754 O GLY A 49 -10.302 -7.252 1.035 1.00 0.77 O ATOM 0 H GLY A 49 -6.797 -9.035 2.296 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.617 -9.554 0.935 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.714 -9.412 2.295 1.00 0.72 H new ATOM 758 N THR A 50 -8.188 -6.664 1.494 1.00 0.65 N ATOM 759 CA THR A 50 -8.365 -5.288 1.072 1.00 0.69 C ATOM 760 C THR A 50 -7.887 -5.106 -0.367 1.00 0.55 C ATOM 761 O THR A 50 -6.854 -5.643 -0.754 1.00 0.52 O ATOM 762 CB THR A 50 -7.585 -4.346 2.012 1.00 0.83 C ATOM 763 OG1 THR A 50 -8.128 -4.432 3.335 1.00 1.25 O ATOM 764 CG2 THR A 50 -7.627 -2.905 1.530 1.00 1.35 C ATOM 0 H THR A 50 -7.257 -6.878 1.851 1.00 0.65 H new ATOM 0 HA THR A 50 -9.426 -5.041 1.119 1.00 0.69 H new ATOM 0 HB THR A 50 -6.542 -4.663 2.015 1.00 0.83 H new ATOM 0 HG1 THR A 50 -7.756 -5.215 3.791 1.00 1.25 H new ATOM 0 HG21 THR A 50 -7.066 -2.274 2.220 1.00 1.35 H new ATOM 0 HG22 THR A 50 -7.183 -2.841 0.536 1.00 1.35 H new ATOM 0 HG23 THR A 50 -8.662 -2.565 1.488 1.00 1.35 H new ATOM 772 N LYS A 51 -8.655 -4.374 -1.156 1.00 0.53 N ATOM 773 CA LYS A 51 -8.266 -4.082 -2.529 1.00 0.52 C ATOM 774 C LYS A 51 -7.665 -2.689 -2.615 1.00 0.51 C ATOM 775 O LYS A 51 -8.257 -1.718 -2.138 1.00 0.56 O ATOM 776 CB LYS A 51 -9.461 -4.194 -3.473 1.00 0.59 C ATOM 777 CG LYS A 51 -9.943 -5.619 -3.681 1.00 0.67 C ATOM 778 CD LYS A 51 -11.178 -5.659 -4.560 1.00 1.19 C ATOM 779 CE LYS A 51 -11.529 -7.077 -4.969 1.00 1.26 C ATOM 780 NZ LYS A 51 -10.539 -7.645 -5.923 1.00 1.84 N ATOM 0 H LYS A 51 -9.548 -3.971 -0.873 1.00 0.53 H new ATOM 0 HA LYS A 51 -7.520 -4.815 -2.834 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -10.282 -3.596 -3.078 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -9.191 -3.766 -4.439 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -9.150 -6.211 -4.137 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -10.166 -6.075 -2.716 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -12.019 -5.215 -4.027 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -11.010 -5.054 -5.451 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -11.580 -7.708 -4.082 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -12.519 -7.088 -5.425 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -10.817 -8.615 -6.176 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -10.508 -7.059 -6.781 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -9.598 -7.659 -5.480 1.00 1.84 H new ATOM 794 N ILE A 52 -6.480 -2.603 -3.203 1.00 0.47 N ATOM 795 CA ILE A 52 -5.755 -1.344 -3.287 1.00 0.46 C ATOM 796 C ILE A 52 -5.183 -1.141 -4.696 1.00 0.46 C ATOM 797 O ILE A 52 -4.940 -2.110 -5.410 1.00 0.52 O ATOM 798 CB ILE A 52 -4.581 -1.308 -2.270 1.00 0.48 C ATOM 799 CG1 ILE A 52 -3.453 -2.249 -2.712 1.00 0.49 C ATOM 800 CG2 ILE A 52 -5.066 -1.701 -0.882 1.00 0.66 C ATOM 801 CD1 ILE A 52 -2.245 -2.225 -1.800 1.00 0.51 C ATOM 0 H ILE A 52 -5.999 -3.394 -3.631 1.00 0.47 H new ATOM 0 HA ILE A 52 -6.462 -0.548 -3.056 1.00 0.46 H new ATOM 0 HB ILE A 52 -4.195 -0.289 -2.235 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.840 -3.267 -2.761 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.141 -1.978 -3.721 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -4.231 -1.670 -0.182 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.838 -1.004 -0.556 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -5.477 -2.710 -0.912 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.490 -2.915 -2.177 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.832 -1.217 -1.770 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.542 -2.526 -0.795 1.00 0.51 H new ATOM 813 N ILE A 53 -4.958 0.111 -5.079 1.00 0.42 N ATOM 814 CA ILE A 53 -4.300 0.436 -6.351 1.00 0.41 C ATOM 815 C ILE A 53 -3.681 1.828 -6.289 1.00 0.42 C ATOM 816 O ILE A 53 -4.178 2.711 -5.589 1.00 0.44 O ATOM 817 CB ILE A 53 -5.247 0.340 -7.596 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.654 1.086 -8.808 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.634 0.867 -7.284 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.562 1.161 -10.022 1.00 0.98 C ATOM 0 H ILE A 53 -5.222 0.927 -4.526 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.526 -0.319 -6.486 1.00 0.41 H new ATOM 0 HB ILE A 53 -5.335 -0.717 -7.849 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -4.398 2.100 -8.502 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.724 0.596 -9.098 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -7.263 0.784 -8.171 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -7.071 0.284 -6.474 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.567 1.912 -6.983 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -5.057 1.704 -10.821 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.799 0.153 -10.362 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -6.483 1.680 -9.756 1.00 0.98 H new ATOM 832 N MET A 54 -2.597 2.011 -7.027 1.00 0.44 N ATOM 833 CA MET A 54 -1.981 3.313 -7.185 1.00 0.47 C ATOM 834 C MET A 54 -2.252 3.793 -8.596 1.00 0.48 C ATOM 835 O MET A 54 -1.873 3.131 -9.562 1.00 0.54 O ATOM 836 CB MET A 54 -0.473 3.249 -6.936 1.00 0.52 C ATOM 837 CG MET A 54 0.244 4.550 -7.257 1.00 0.60 C ATOM 838 SD MET A 54 2.024 4.450 -6.997 1.00 1.08 S ATOM 839 CE MET A 54 2.552 6.032 -7.648 1.00 1.50 C ATOM 0 H MET A 54 -2.123 1.261 -7.531 1.00 0.44 H new ATOM 0 HA MET A 54 -2.404 4.003 -6.455 1.00 0.47 H new ATOM 0 HB2 MET A 54 -0.295 2.992 -5.892 1.00 0.52 H new ATOM 0 HB3 MET A 54 -0.046 2.448 -7.539 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.048 4.821 -8.294 1.00 0.60 H new ATOM 0 HG3 MET A 54 -0.165 5.347 -6.636 1.00 0.60 H new ATOM 0 HE1 MET A 54 3.625 6.007 -7.839 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.022 6.238 -8.578 1.00 1.50 H new ATOM 0 HE3 MET A 54 2.331 6.816 -6.924 1.00 1.50 H new ATOM 849 N LYS A 55 -2.942 4.906 -8.712 1.00 0.52 N ATOM 850 CA LYS A 55 -3.266 5.468 -10.007 1.00 0.58 C ATOM 851 C LYS A 55 -3.234 6.983 -9.916 1.00 0.66 C ATOM 852 O LYS A 55 -3.748 7.560 -8.957 1.00 0.70 O ATOM 853 CB LYS A 55 -4.641 4.986 -10.470 1.00 0.72 C ATOM 854 CG LYS A 55 -4.865 5.123 -11.968 1.00 0.95 C ATOM 855 CD LYS A 55 -3.925 4.219 -12.755 1.00 0.94 C ATOM 856 CE LYS A 55 -4.175 4.298 -14.255 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.816 5.624 -14.823 1.00 1.69 N ATOM 0 H LYS A 55 -3.292 5.444 -7.919 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.530 5.137 -10.739 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.764 3.940 -10.187 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -5.410 5.551 -9.943 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -5.898 4.873 -12.207 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.711 6.160 -12.267 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -2.893 4.500 -12.545 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.050 3.189 -12.421 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -3.597 3.523 -14.758 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -5.226 4.093 -14.456 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -3.956 5.610 -15.853 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -4.421 6.358 -14.401 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -2.819 5.834 -14.612 1.00 1.69 H new ATOM 871 N GLY A 56 -2.623 7.616 -10.903 1.00 0.77 N ATOM 872 CA GLY A 56 -2.465 9.061 -10.882 1.00 0.93 C ATOM 873 C GLY A 56 -1.616 9.539 -9.719 1.00 0.94 C ATOM 874 O GLY A 56 -1.833 10.635 -9.200 1.00 1.21 O ATOM 0 H GLY A 56 -2.230 7.156 -11.724 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -2.009 9.386 -11.817 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -3.448 9.529 -10.826 1.00 0.93 H new ATOM 878 N ASN A 57 -0.643 8.713 -9.316 1.00 0.99 N ATOM 879 CA ASN A 57 0.230 9.009 -8.169 1.00 1.05 C ATOM 880 C ASN A 57 -0.570 9.098 -6.871 1.00 0.97 C ATOM 881 O ASN A 57 -0.110 9.655 -5.875 1.00 1.15 O ATOM 882 CB ASN A 57 1.035 10.296 -8.401 1.00 1.30 C ATOM 883 CG ASN A 57 2.219 10.089 -9.332 1.00 1.96 C ATOM 884 OD1 ASN A 57 3.216 10.806 -9.259 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.128 9.103 -10.211 1.00 2.90 N ATOM 0 H ASN A 57 -0.438 7.824 -9.772 1.00 0.99 H new ATOM 0 HA ASN A 57 0.935 8.183 -8.073 1.00 1.05 H new ATOM 0 HB2 ASN A 57 0.379 11.059 -8.819 1.00 1.30 H new ATOM 0 HB3 ASN A 57 1.393 10.673 -7.443 1.00 1.30 H new ATOM 0 HD21 ASN A 57 2.899 8.920 -10.853 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.287 8.527 -10.246 1.00 2.90 H new ATOM 892 N GLU A 58 -1.761 8.522 -6.893 1.00 0.86 N ATOM 893 CA GLU A 58 -2.608 8.436 -5.710 1.00 0.84 C ATOM 894 C GLU A 58 -2.912 6.986 -5.419 1.00 0.69 C ATOM 895 O GLU A 58 -2.906 6.155 -6.325 1.00 0.75 O ATOM 896 CB GLU A 58 -3.918 9.196 -5.915 1.00 0.88 C ATOM 897 CG GLU A 58 -3.750 10.703 -6.027 1.00 1.05 C ATOM 898 CD GLU A 58 -5.077 11.431 -6.061 1.00 1.30 C ATOM 899 OE1 GLU A 58 -5.717 11.568 -4.996 1.00 1.66 O ATOM 900 OE2 GLU A 58 -5.492 11.864 -7.157 1.00 1.63 O ATOM 0 H GLU A 58 -2.169 8.101 -7.728 1.00 0.86 H new ATOM 0 HA GLU A 58 -2.076 8.886 -4.871 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -4.402 8.827 -6.819 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -4.587 8.977 -5.083 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -3.162 11.064 -5.183 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -3.187 10.937 -6.931 1.00 1.05 H new ATOM 907 N ILE A 59 -3.160 6.668 -4.166 1.00 0.64 N ATOM 908 CA ILE A 59 -3.506 5.313 -3.816 1.00 0.56 C ATOM 909 C ILE A 59 -4.938 5.207 -3.298 1.00 0.55 C ATOM 910 O ILE A 59 -5.365 5.959 -2.415 1.00 0.63 O ATOM 911 CB ILE A 59 -2.492 4.702 -2.815 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.565 3.743 -3.566 1.00 0.79 C ATOM 913 CG2 ILE A 59 -3.184 3.995 -1.656 1.00 0.58 C ATOM 914 CD1 ILE A 59 -0.605 2.987 -2.677 1.00 0.92 C ATOM 0 H ILE A 59 -3.128 7.322 -3.384 1.00 0.64 H new ATOM 0 HA ILE A 59 -3.452 4.725 -4.732 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.908 5.512 -2.378 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -2.172 3.026 -4.118 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.993 4.309 -4.301 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -2.434 3.583 -0.981 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -3.807 4.707 -1.115 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.807 3.188 -2.042 1.00 0.58 H new ATOM 0 HD11 ILE A 59 0.015 2.330 -3.287 1.00 0.92 H new ATOM 0 HD12 ILE A 59 0.031 3.694 -2.144 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -1.167 2.391 -1.958 1.00 0.92 H new ATOM 926 N PHE A 60 -5.678 4.294 -3.901 1.00 0.48 N ATOM 927 CA PHE A 60 -6.957 3.863 -3.380 1.00 0.48 C ATOM 928 C PHE A 60 -6.726 2.602 -2.577 1.00 0.48 C ATOM 929 O PHE A 60 -6.014 1.692 -3.006 1.00 0.45 O ATOM 930 CB PHE A 60 -7.973 3.639 -4.523 1.00 0.50 C ATOM 931 CG PHE A 60 -8.821 2.386 -4.421 1.00 0.48 C ATOM 932 CD1 PHE A 60 -8.282 1.151 -4.725 1.00 0.44 C ATOM 933 CD2 PHE A 60 -10.162 2.451 -4.067 1.00 0.69 C ATOM 934 CE1 PHE A 60 -9.041 0.006 -4.680 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.932 1.297 -4.013 1.00 0.71 C ATOM 936 CZ PHE A 60 -10.366 0.071 -4.325 1.00 0.54 C ATOM 0 H PHE A 60 -5.406 3.831 -4.768 1.00 0.48 H new ATOM 0 HA PHE A 60 -7.386 4.632 -2.737 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -8.638 4.502 -4.566 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -7.428 3.609 -5.467 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -7.241 1.084 -5.004 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -10.609 3.406 -3.832 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.595 -0.947 -4.924 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.972 1.355 -3.728 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.963 -0.828 -4.289 1.00 0.54 H new ATOM 946 N ARG A 61 -7.261 2.597 -1.391 1.00 0.60 N ATOM 947 CA ARG A 61 -7.268 1.430 -0.545 1.00 0.70 C ATOM 948 C ARG A 61 -8.416 1.613 0.405 1.00 0.69 C ATOM 949 O ARG A 61 -8.297 2.417 1.336 1.00 0.88 O ATOM 950 CB ARG A 61 -5.945 1.299 0.230 1.00 1.03 C ATOM 951 CG ARG A 61 -5.524 2.563 0.973 1.00 1.21 C ATOM 952 CD ARG A 61 -4.726 2.226 2.219 1.00 1.51 C ATOM 953 NE ARG A 61 -4.371 3.412 2.999 1.00 2.25 N ATOM 954 CZ ARG A 61 -4.575 3.531 4.314 1.00 2.70 C ATOM 955 NH1 ARG A 61 -5.160 2.552 4.990 1.00 2.72 N ATOM 956 NH2 ARG A 61 -4.185 4.629 4.950 1.00 3.56 N ATOM 0 H ARG A 61 -7.712 3.412 -0.975 1.00 0.60 H new ATOM 0 HA ARG A 61 -7.375 0.520 -1.136 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -6.037 0.484 0.948 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.155 1.022 -0.468 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -4.926 3.193 0.314 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -6.408 3.138 1.248 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -5.305 1.545 2.843 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -3.816 1.699 1.932 1.00 1.51 H new ATOM 0 HE ARG A 61 -3.941 4.196 2.509 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.456 1.704 4.506 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -5.314 2.647 5.994 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -3.729 5.382 4.435 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -4.341 4.719 5.954 1.00 3.56 H new ATOM 970 N LEU A 62 -9.560 0.973 0.160 1.00 0.78 N ATOM 971 CA LEU A 62 -10.697 1.094 1.075 1.00 1.07 C ATOM 972 C LEU A 62 -11.383 2.436 0.840 1.00 1.19 C ATOM 973 O LEU A 62 -12.609 2.519 0.830 1.00 1.40 O ATOM 974 CB LEU A 62 -10.290 0.944 2.542 1.00 1.26 C ATOM 975 CG LEU A 62 -10.910 -0.241 3.272 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.403 -0.029 3.474 1.00 1.36 C ATOM 977 CD2 LEU A 62 -10.651 -1.521 2.494 1.00 1.32 C ATOM 0 H LEU A 62 -9.724 0.375 -0.650 1.00 0.78 H new ATOM 0 HA LEU A 62 -11.389 0.278 0.865 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -9.205 0.854 2.593 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.560 1.858 3.072 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.447 -0.327 4.255 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.825 -0.887 3.997 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.566 0.872 4.065 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.889 0.080 2.505 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -11.097 -2.364 3.022 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -11.093 -1.439 1.501 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.577 -1.679 2.401 1.00 1.32 H new