USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 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 Single : A 9 MET CE :methyl -146:sc= -0.209 (180deg=-0.943) USER MOD Single : A 12 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.46) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.453 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0538 (180deg=-0.336) USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= -2.23! (180deg=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= -9.61! (180deg=-10.9!) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0176) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= -0.223 (180deg=-1.71!) USER MOD Single : A 55 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.16) USER MOD Single : A 56 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.47) USER MOD Single : A 58 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.39) USER MOD Single : A 60 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.62) USER MOD Single : A 62 SER OG : rot 71:sc= 1.1 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= -2.24! (180deg=-3.41!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-1.2) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.36) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot -37:sc= -3.41! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -35:sc= -6.41! USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= -7! (180deg=-7.44!) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.06) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 82:sc= -3.05! USER MOD Single : A 101 ASN : amide:sc= -0.811 K(o=-0.81,f=-0.18) USER MOD Single : A 103 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.22) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 107 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.864 -8.755 -1.281 1.00 0.70 N ATOM 14 CA ASP A 2 -20.877 -8.245 -2.169 1.00 0.72 C ATOM 15 C ASP A 2 -20.229 -7.703 -3.437 1.00 0.70 C ATOM 16 O ASP A 2 -18.996 -7.628 -3.512 1.00 0.75 O ATOM 17 CB ASP A 2 -21.593 -7.121 -1.463 1.00 0.79 C ATOM 18 CG ASP A 2 -22.833 -7.573 -0.743 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.831 -7.818 -1.423 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.807 -7.696 0.495 1.00 1.65 O ATOM 0 HA ASP A 2 -21.573 -9.040 -2.438 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.913 -6.657 -0.748 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.861 -6.355 -2.191 1.00 0.79 H new ATOM 25 N PRO A 3 -21.031 -7.312 -4.441 1.00 0.71 N ATOM 26 CA PRO A 3 -20.526 -6.633 -5.635 1.00 0.72 C ATOM 27 C PRO A 3 -19.991 -5.239 -5.327 1.00 0.66 C ATOM 28 O PRO A 3 -20.695 -4.239 -5.463 1.00 0.97 O ATOM 29 CB PRO A 3 -21.740 -6.553 -6.571 1.00 0.84 C ATOM 30 CG PRO A 3 -22.750 -7.493 -5.998 1.00 0.94 C ATOM 31 CD PRO A 3 -22.484 -7.540 -4.523 1.00 0.81 C ATOM 0 HA PRO A 3 -19.685 -7.171 -6.072 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -22.132 -5.537 -6.619 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.471 -6.839 -7.588 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.764 -7.147 -6.200 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.657 -8.484 -6.443 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -23.044 -6.773 -3.987 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.767 -8.501 -4.092 1.00 0.81 H new ATOM 39 N ILE A 4 -18.757 -5.199 -4.855 1.00 0.45 N ATOM 40 CA ILE A 4 -18.052 -3.948 -4.620 1.00 0.41 C ATOM 41 C ILE A 4 -16.969 -3.782 -5.666 1.00 0.41 C ATOM 42 O ILE A 4 -17.058 -2.933 -6.552 1.00 0.50 O ATOM 43 CB ILE A 4 -17.419 -3.913 -3.200 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.457 -3.525 -2.152 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.226 -2.958 -3.110 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.433 -4.619 -1.833 1.00 0.46 C ATOM 0 H ILE A 4 -18.215 -6.031 -4.624 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.769 -3.130 -4.689 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.056 -4.922 -3.003 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.943 -3.231 -1.237 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -19.006 -2.652 -2.504 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.823 -2.973 -2.097 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.454 -3.273 -3.812 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.550 -1.947 -3.356 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.139 -4.268 -1.080 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.975 -4.898 -2.737 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.895 -5.486 -1.450 1.00 0.46 H new ATOM 58 N GLY A 5 -15.956 -4.623 -5.566 1.00 0.36 N ATOM 59 CA GLY A 5 -14.820 -4.502 -6.447 1.00 0.39 C ATOM 60 C GLY A 5 -13.777 -3.692 -5.757 1.00 0.33 C ATOM 61 O GLY A 5 -13.186 -2.775 -6.318 1.00 0.33 O ATOM 0 H GLY A 5 -15.900 -5.386 -4.891 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.429 -5.488 -6.700 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.114 -4.025 -7.382 1.00 0.39 H new ATOM 65 N LEU A 6 -13.601 -4.068 -4.512 1.00 0.32 N ATOM 66 CA LEU A 6 -12.822 -3.340 -3.547 1.00 0.29 C ATOM 67 C LEU A 6 -11.428 -3.050 -4.060 1.00 0.29 C ATOM 68 O LEU A 6 -10.932 -1.927 -3.972 1.00 0.33 O ATOM 69 CB LEU A 6 -12.755 -4.203 -2.305 1.00 0.29 C ATOM 70 CG LEU A 6 -12.471 -3.486 -1.008 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.558 -2.460 -0.715 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.359 -4.507 0.096 1.00 0.28 C ATOM 0 H LEU A 6 -14.013 -4.921 -4.133 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.284 -2.375 -3.340 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.703 -4.731 -2.204 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.984 -4.959 -2.454 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.530 -2.942 -1.082 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.336 -1.953 0.224 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.595 -1.729 -1.522 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.522 -2.963 -0.637 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.154 -4.002 1.040 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.295 -5.060 0.177 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.547 -5.199 -0.129 1.00 0.28 H new ATOM 84 N PHE A 7 -10.818 -4.069 -4.620 1.00 0.30 N ATOM 85 CA PHE A 7 -9.465 -3.964 -5.078 1.00 0.32 C ATOM 86 C PHE A 7 -9.443 -3.487 -6.520 1.00 0.29 C ATOM 87 O PHE A 7 -9.399 -4.279 -7.460 1.00 0.32 O ATOM 88 CB PHE A 7 -8.761 -5.301 -4.920 1.00 0.41 C ATOM 89 CG PHE A 7 -7.519 -5.209 -4.090 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.581 -5.324 -2.714 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.292 -5.025 -4.686 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.433 -5.257 -1.947 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.143 -4.950 -3.931 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.209 -5.072 -2.561 1.00 0.61 C ATOM 0 H PHE A 7 -11.246 -4.983 -4.767 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.930 -3.231 -4.475 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.446 -6.015 -4.463 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.506 -5.691 -5.905 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.537 -5.468 -2.233 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.230 -4.938 -5.761 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.492 -5.349 -0.873 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.189 -4.795 -4.414 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.307 -5.023 -1.969 1.00 0.61 H new ATOM 104 N VAL A 8 -9.515 -2.178 -6.668 1.00 0.28 N ATOM 105 CA VAL A 8 -9.529 -1.541 -7.978 1.00 0.34 C ATOM 106 C VAL A 8 -8.151 -1.623 -8.611 1.00 0.44 C ATOM 107 O VAL A 8 -7.999 -2.022 -9.768 1.00 0.63 O ATOM 108 CB VAL A 8 -9.959 -0.062 -7.875 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.106 0.567 -9.256 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.247 0.061 -7.080 1.00 0.33 C ATOM 0 H VAL A 8 -9.566 -1.524 -5.887 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.252 -2.069 -8.600 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.177 0.484 -7.348 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.410 1.609 -9.151 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.152 0.518 -9.781 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -10.861 0.024 -9.824 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.537 1.110 -7.017 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.036 -0.504 -7.576 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.094 -0.335 -6.076 1.00 0.33 H new ATOM 120 N MET A 9 -7.147 -1.256 -7.829 1.00 0.43 N ATOM 121 CA MET A 9 -5.764 -1.338 -8.261 1.00 0.65 C ATOM 122 C MET A 9 -4.935 -1.981 -7.189 1.00 0.44 C ATOM 123 O MET A 9 -5.067 -1.643 -6.014 1.00 0.44 O ATOM 124 CB MET A 9 -5.175 0.029 -8.569 1.00 1.05 C ATOM 125 CG MET A 9 -5.702 0.619 -9.849 1.00 1.45 C ATOM 126 SD MET A 9 -5.292 -0.387 -11.288 1.00 2.35 S ATOM 127 CE MET A 9 -3.502 -0.354 -11.201 1.00 2.88 C ATOM 0 H MET A 9 -7.269 -0.895 -6.883 1.00 0.43 H new ATOM 0 HA MET A 9 -5.750 -1.933 -9.174 1.00 0.65 H new ATOM 0 HB2 MET A 9 -5.394 0.708 -7.745 1.00 1.05 H new ATOM 0 HB3 MET A 9 -4.090 -0.054 -8.633 1.00 1.05 H new ATOM 0 HG2 MET A 9 -6.785 0.724 -9.779 1.00 1.45 H new ATOM 0 HG3 MET A 9 -5.292 1.620 -9.980 1.00 1.45 H new ATOM 0 HE1 MET A 9 -3.089 -0.361 -12.210 1.00 2.88 H new ATOM 0 HE2 MET A 9 -3.179 0.549 -10.683 1.00 2.88 H new ATOM 0 HE3 MET A 9 -3.148 -1.230 -10.657 1.00 2.88 H new ATOM 137 N ARG A 10 -4.093 -2.903 -7.580 1.00 0.47 N ATOM 138 CA ARG A 10 -3.177 -3.487 -6.644 1.00 0.41 C ATOM 139 C ARG A 10 -1.826 -2.829 -6.791 1.00 0.39 C ATOM 140 O ARG A 10 -1.262 -2.791 -7.886 1.00 0.45 O ATOM 141 CB ARG A 10 -3.039 -4.989 -6.843 1.00 0.46 C ATOM 142 CG ARG A 10 -4.345 -5.707 -7.146 1.00 0.97 C ATOM 143 CD ARG A 10 -4.216 -7.217 -6.985 1.00 1.34 C ATOM 144 NE ARG A 10 -5.518 -7.873 -7.042 1.00 2.11 N ATOM 145 CZ ARG A 10 -6.111 -8.445 -5.990 1.00 2.72 C ATOM 146 NH1 ARG A 10 -5.480 -8.513 -4.820 1.00 2.74 N ATOM 147 NH2 ARG A 10 -7.323 -8.968 -6.116 1.00 3.67 N ATOM 0 H ARG A 10 -4.025 -3.261 -8.533 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.572 -3.323 -5.641 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.340 -5.172 -7.659 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -2.600 -5.423 -5.945 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -5.125 -5.337 -6.481 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -4.658 -5.476 -8.164 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.572 -7.614 -7.770 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -3.735 -7.443 -6.033 1.00 1.34 H new ATOM 0 HE ARG A 10 -6.005 -7.896 -7.938 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.540 -8.128 -4.724 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -5.936 -8.950 -4.019 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -7.802 -8.934 -7.016 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -7.776 -9.405 -5.313 1.00 3.67 H new ATOM 161 N PRO A 11 -1.301 -2.286 -5.698 1.00 0.43 N ATOM 162 CA PRO A 11 0.041 -1.729 -5.673 1.00 0.50 C ATOM 163 C PRO A 11 1.049 -2.814 -6.005 1.00 0.47 C ATOM 164 O PRO A 11 0.843 -3.986 -5.678 1.00 0.54 O ATOM 165 CB PRO A 11 0.210 -1.222 -4.241 1.00 0.62 C ATOM 166 CG PRO A 11 -0.856 -1.888 -3.455 1.00 0.64 C ATOM 167 CD PRO A 11 -1.973 -2.192 -4.402 1.00 0.53 C ATOM 0 HA PRO A 11 0.196 -0.933 -6.401 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.197 -1.470 -3.851 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.112 -0.137 -4.195 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.481 -2.802 -2.994 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.200 -1.242 -2.647 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.478 -3.122 -4.143 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.729 -1.407 -4.397 1.00 0.53 H new ATOM 175 N GLN A 12 2.115 -2.444 -6.682 1.00 0.44 N ATOM 176 CA GLN A 12 3.002 -3.423 -7.259 1.00 0.43 C ATOM 177 C GLN A 12 4.404 -3.289 -6.750 1.00 0.37 C ATOM 178 O GLN A 12 4.716 -2.345 -6.043 1.00 0.40 O ATOM 179 CB GLN A 12 2.945 -3.298 -8.762 1.00 0.55 C ATOM 180 CG GLN A 12 1.626 -3.802 -9.292 1.00 0.73 C ATOM 181 CD GLN A 12 1.512 -5.320 -9.191 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.810 -6.032 -10.149 1.00 1.43 O ATOM 183 NE2 GLN A 12 1.136 -5.837 -8.015 1.00 1.32 N ATOM 0 H GLN A 12 2.385 -1.474 -6.844 1.00 0.44 H new ATOM 0 HA GLN A 12 2.671 -4.418 -6.960 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.084 -2.256 -9.050 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.762 -3.864 -9.210 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.811 -3.339 -8.735 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.514 -3.498 -10.333 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.895 -5.219 -7.240 1.00 1.32 H new ATOM 0 HE22 GLN A 12 1.090 -6.849 -7.894 1.00 1.32 H new ATOM 192 N ASP A 13 5.223 -4.266 -7.089 1.00 0.34 N ATOM 193 CA ASP A 13 6.531 -4.389 -6.603 1.00 0.33 C ATOM 194 C ASP A 13 7.412 -3.292 -7.160 1.00 0.36 C ATOM 195 O ASP A 13 6.993 -2.160 -7.408 1.00 0.50 O ATOM 196 CB ASP A 13 7.030 -5.766 -7.050 1.00 0.35 C ATOM 197 CG ASP A 13 5.968 -6.853 -6.925 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.881 -7.489 -5.855 1.00 2.06 O ATOM 199 OD2 ASP A 13 5.218 -7.079 -7.890 1.00 1.03 O ATOM 0 H ASP A 13 4.960 -5.009 -7.736 1.00 0.34 H new ATOM 0 HA ASP A 13 6.559 -4.296 -5.517 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.362 -5.707 -8.087 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.898 -6.043 -6.452 1.00 0.35 H new ATOM 204 N GLY A 14 8.632 -3.652 -7.369 1.00 0.30 N ATOM 205 CA GLY A 14 9.598 -2.712 -7.826 1.00 0.30 C ATOM 206 C GLY A 14 10.974 -3.051 -7.346 1.00 0.25 C ATOM 207 O GLY A 14 11.183 -3.463 -6.209 1.00 0.28 O ATOM 0 H GLY A 14 8.986 -4.598 -7.229 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.590 -2.683 -8.916 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.327 -1.715 -7.479 1.00 0.30 H new ATOM 211 N GLU A 15 11.902 -2.880 -8.230 1.00 0.26 N ATOM 212 CA GLU A 15 13.300 -3.084 -7.935 1.00 0.25 C ATOM 213 C GLU A 15 14.035 -1.774 -8.116 1.00 0.23 C ATOM 214 O GLU A 15 14.182 -1.287 -9.235 1.00 0.30 O ATOM 215 CB GLU A 15 13.905 -4.159 -8.838 1.00 0.33 C ATOM 216 CG GLU A 15 13.331 -5.546 -8.611 1.00 0.69 C ATOM 217 CD GLU A 15 14.193 -6.617 -9.229 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.411 -6.635 -8.971 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.649 -7.454 -9.981 1.00 1.53 O ATOM 0 H GLU A 15 11.718 -2.592 -9.191 1.00 0.26 H new ATOM 0 HA GLU A 15 13.398 -3.426 -6.905 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.747 -3.877 -9.879 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.983 -4.191 -8.677 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.235 -5.729 -7.541 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.328 -5.598 -9.034 1.00 0.69 H new ATOM 226 N VAL A 16 14.474 -1.196 -7.016 1.00 0.20 N ATOM 227 CA VAL A 16 15.090 0.066 -7.019 1.00 0.21 C ATOM 228 C VAL A 16 16.407 -0.087 -6.320 1.00 0.22 C ATOM 229 O VAL A 16 16.638 -1.059 -5.630 1.00 0.27 O ATOM 230 CB VAL A 16 14.229 1.114 -6.292 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.759 0.958 -6.649 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.439 1.062 -4.780 1.00 0.23 C ATOM 0 H VAL A 16 14.400 -1.618 -6.091 1.00 0.20 H new ATOM 0 HA VAL A 16 15.220 0.414 -8.044 1.00 0.21 H new ATOM 0 HB VAL A 16 14.553 2.097 -6.632 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.174 1.711 -6.121 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.630 1.086 -7.724 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.417 -0.036 -6.358 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.815 1.816 -4.300 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.166 0.074 -4.408 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.486 1.259 -4.551 1.00 0.23 H new ATOM 242 N THR A 17 17.242 0.853 -6.514 1.00 0.23 N ATOM 243 CA THR A 17 18.564 0.848 -5.930 1.00 0.27 C ATOM 244 C THR A 17 18.555 1.628 -4.621 1.00 0.28 C ATOM 245 O THR A 17 17.691 2.491 -4.419 1.00 0.28 O ATOM 246 CB THR A 17 19.561 1.494 -6.894 1.00 0.35 C ATOM 247 OG1 THR A 17 18.960 1.620 -8.195 1.00 0.77 O ATOM 248 CG2 THR A 17 20.843 0.679 -6.994 1.00 0.56 C ATOM 0 H THR A 17 17.045 1.672 -7.089 1.00 0.23 H new ATOM 0 HA THR A 17 18.860 -0.183 -5.737 1.00 0.27 H new ATOM 0 HB THR A 17 19.819 2.480 -6.509 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.599 2.035 -8.811 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.530 1.165 -7.687 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.308 0.610 -6.010 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.610 -0.322 -7.357 1.00 0.56 H new ATOM 256 N VAL A 18 19.481 1.313 -3.721 1.00 0.31 N ATOM 257 CA VAL A 18 19.646 2.094 -2.517 1.00 0.35 C ATOM 258 C VAL A 18 20.068 3.477 -2.891 1.00 0.36 C ATOM 259 O VAL A 18 21.188 3.745 -3.333 1.00 0.39 O ATOM 260 CB VAL A 18 20.693 1.562 -1.554 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.619 2.300 -0.227 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.561 0.071 -1.343 1.00 0.78 C ATOM 0 H VAL A 18 20.122 0.525 -3.809 1.00 0.31 H new ATOM 0 HA VAL A 18 18.681 2.055 -2.011 1.00 0.35 H new ATOM 0 HB VAL A 18 21.670 1.740 -2.002 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.376 1.906 0.451 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.797 3.363 -0.391 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.631 2.161 0.212 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.329 -0.267 -0.648 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.576 -0.153 -0.933 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.682 -0.444 -2.296 1.00 0.78 H new ATOM 272 N GLY A 19 19.129 4.314 -2.729 1.00 0.38 N ATOM 273 CA GLY A 19 19.311 5.724 -2.955 1.00 0.45 C ATOM 274 C GLY A 19 18.223 6.316 -3.818 1.00 0.40 C ATOM 275 O GLY A 19 18.122 7.538 -3.945 1.00 0.48 O ATOM 0 H GLY A 19 18.188 4.057 -2.431 1.00 0.38 H new ATOM 0 HA2 GLY A 19 19.333 6.243 -1.996 1.00 0.45 H new ATOM 0 HA3 GLY A 19 20.278 5.891 -3.430 1.00 0.45 H new ATOM 279 N GLY A 20 17.404 5.463 -4.422 1.00 0.32 N ATOM 280 CA GLY A 20 16.327 5.954 -5.216 1.00 0.32 C ATOM 281 C GLY A 20 15.018 5.717 -4.556 1.00 0.30 C ATOM 282 O GLY A 20 14.941 5.397 -3.375 1.00 0.44 O ATOM 0 H GLY A 20 17.477 4.447 -4.368 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.460 7.021 -5.392 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.339 5.466 -6.191 1.00 0.32 H new ATOM 286 N SER A 21 13.998 5.826 -5.338 1.00 0.24 N ATOM 287 CA SER A 21 12.679 5.828 -4.859 1.00 0.22 C ATOM 288 C SER A 21 11.863 4.732 -5.489 1.00 0.22 C ATOM 289 O SER A 21 12.264 4.076 -6.447 1.00 0.25 O ATOM 290 CB SER A 21 12.061 7.178 -5.167 1.00 0.30 C ATOM 291 OG SER A 21 12.492 7.658 -6.430 1.00 0.82 O ATOM 0 H SER A 21 14.072 5.918 -6.351 1.00 0.24 H new ATOM 0 HA SER A 21 12.690 5.649 -3.784 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.974 7.095 -5.157 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.333 7.892 -4.390 1.00 0.30 H new ATOM 0 HG SER A 21 12.079 8.529 -6.607 1.00 0.82 H new ATOM 297 N ILE A 22 10.720 4.582 -4.916 1.00 0.22 N ATOM 298 CA ILE A 22 9.720 3.673 -5.317 1.00 0.24 C ATOM 299 C ILE A 22 8.394 4.327 -5.056 1.00 0.25 C ATOM 300 O ILE A 22 8.242 5.217 -4.224 1.00 0.27 O ATOM 301 CB ILE A 22 9.803 2.334 -4.589 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.849 1.316 -5.208 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.524 2.491 -3.104 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.140 1.003 -6.662 1.00 0.32 C ATOM 0 H ILE A 22 10.447 5.131 -4.101 1.00 0.22 H new ATOM 0 HA ILE A 22 9.855 3.443 -6.374 1.00 0.24 H new ATOM 0 HB ILE A 22 10.822 1.964 -4.701 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.896 0.392 -4.632 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.829 1.692 -5.125 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.591 1.519 -2.616 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.257 3.168 -2.666 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.523 2.899 -2.963 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.419 0.272 -7.028 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.064 1.916 -7.253 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.147 0.596 -6.752 1.00 0.32 H new ATOM 316 N THR A 23 7.478 3.940 -5.823 1.00 0.25 N ATOM 317 CA THR A 23 6.167 4.532 -5.789 1.00 0.23 C ATOM 318 C THR A 23 5.101 3.480 -5.940 1.00 0.24 C ATOM 319 O THR A 23 5.114 2.666 -6.861 1.00 0.28 O ATOM 320 CB THR A 23 5.985 5.619 -6.854 1.00 0.26 C ATOM 321 OG1 THR A 23 7.089 6.533 -6.808 1.00 0.31 O ATOM 322 CG2 THR A 23 4.686 6.385 -6.625 1.00 0.24 C ATOM 0 H THR A 23 7.587 3.196 -6.512 1.00 0.25 H new ATOM 0 HA THR A 23 6.067 5.009 -4.814 1.00 0.23 H new ATOM 0 HB THR A 23 5.944 5.139 -7.832 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.969 7.225 -7.491 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.576 7.152 -7.392 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.843 5.696 -6.677 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.709 6.855 -5.642 1.00 0.24 H new ATOM 330 N PHE A 24 4.194 3.515 -5.009 1.00 0.24 N ATOM 331 CA PHE A 24 3.100 2.587 -4.953 1.00 0.27 C ATOM 332 C PHE A 24 1.791 3.348 -4.950 1.00 0.24 C ATOM 333 O PHE A 24 1.681 4.416 -4.361 1.00 0.30 O ATOM 334 CB PHE A 24 3.194 1.755 -3.687 1.00 0.40 C ATOM 335 CG PHE A 24 4.484 0.995 -3.539 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.946 0.196 -4.567 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.235 1.085 -2.384 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.132 -0.498 -4.445 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.423 0.391 -2.257 1.00 0.51 C ATOM 340 CZ PHE A 24 6.856 -0.419 -3.245 1.00 0.49 C ATOM 0 H PHE A 24 4.192 4.200 -4.254 1.00 0.24 H new ATOM 0 HA PHE A 24 3.144 1.931 -5.823 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.072 2.411 -2.825 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.365 1.047 -3.669 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.371 0.114 -5.478 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.890 1.705 -1.570 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.500 -1.097 -5.265 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.011 0.498 -1.357 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.755 -1.003 -3.113 1.00 0.49 H new ATOM 350 N SER A 25 0.826 2.801 -5.624 1.00 0.28 N ATOM 351 CA SER A 25 -0.512 3.323 -5.620 1.00 0.28 C ATOM 352 C SER A 25 -1.515 2.201 -5.474 1.00 0.27 C ATOM 353 O SER A 25 -1.575 1.273 -6.279 1.00 0.31 O ATOM 354 CB SER A 25 -0.781 4.129 -6.875 1.00 0.35 C ATOM 355 OG SER A 25 0.124 3.794 -7.917 1.00 0.58 O ATOM 0 H SER A 25 0.944 1.968 -6.201 1.00 0.28 H new ATOM 0 HA SER A 25 -0.618 3.991 -4.765 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.803 3.952 -7.209 1.00 0.35 H new ATOM 0 HB3 SER A 25 -0.699 5.192 -6.649 1.00 0.35 H new ATOM 0 HG SER A 25 -0.079 4.331 -8.712 1.00 0.58 H new ATOM 361 N ALA A 26 -2.273 2.300 -4.420 1.00 0.26 N ATOM 362 CA ALA A 26 -3.284 1.312 -4.089 1.00 0.26 C ATOM 363 C ALA A 26 -4.667 1.960 -4.109 1.00 0.22 C ATOM 364 O ALA A 26 -4.957 2.843 -3.300 1.00 0.25 O ATOM 365 CB ALA A 26 -2.980 0.697 -2.722 1.00 0.32 C ATOM 0 H ALA A 26 -2.214 3.071 -3.755 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.272 0.513 -4.831 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.742 -0.044 -2.479 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.002 0.216 -2.749 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.979 1.479 -1.963 1.00 0.32 H new ATOM 371 N ARG A 27 -5.518 1.539 -5.043 1.00 0.22 N ATOM 372 CA ARG A 27 -6.835 2.143 -5.192 1.00 0.25 C ATOM 373 C ARG A 27 -7.914 1.204 -4.679 1.00 0.23 C ATOM 374 O ARG A 27 -8.042 0.079 -5.163 1.00 0.31 O ATOM 375 CB ARG A 27 -7.091 2.476 -6.660 1.00 0.36 C ATOM 376 CG ARG A 27 -6.052 3.401 -7.262 1.00 0.28 C ATOM 377 CD ARG A 27 -6.251 3.536 -8.758 1.00 0.46 C ATOM 378 NE ARG A 27 -5.181 4.310 -9.394 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.276 4.845 -10.610 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.421 4.783 -11.275 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.233 5.470 -11.146 1.00 2.43 N ATOM 0 H ARG A 27 -5.319 0.787 -5.703 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.865 3.061 -4.604 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.118 1.550 -7.235 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.074 2.938 -6.753 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.117 4.382 -6.792 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.053 3.015 -7.057 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.295 2.544 -9.207 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.209 4.017 -8.953 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.313 4.447 -8.875 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.230 4.325 -10.855 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.493 5.193 -12.206 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -3.358 5.540 -10.626 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.307 5.879 -12.077 1.00 2.43 H new ATOM 395 N VAL A 28 -8.689 1.666 -3.707 1.00 0.19 N ATOM 396 CA VAL A 28 -9.738 0.866 -3.135 1.00 0.20 C ATOM 397 C VAL A 28 -11.069 1.538 -3.346 1.00 0.23 C ATOM 398 O VAL A 28 -11.267 2.712 -3.025 1.00 0.24 O ATOM 399 CB VAL A 28 -9.547 0.616 -1.637 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.518 -0.459 -1.156 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.103 0.242 -1.358 1.00 0.23 C ATOM 0 H VAL A 28 -8.602 2.598 -3.303 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.704 -0.099 -3.642 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.768 1.528 -1.082 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.373 -0.629 -0.089 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.542 -0.131 -1.336 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.333 -1.386 -1.699 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.973 0.065 -0.290 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.849 -0.663 -1.909 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.449 1.055 -1.674 1.00 0.23 H new ATOM 411 N ALA A 29 -11.941 0.777 -3.930 1.00 0.29 N ATOM 412 CA ALA A 29 -13.311 1.166 -4.166 1.00 0.32 C ATOM 413 C ALA A 29 -14.007 1.515 -2.866 1.00 0.34 C ATOM 414 O ALA A 29 -14.275 0.650 -2.035 1.00 0.40 O ATOM 415 CB ALA A 29 -14.056 0.048 -4.874 1.00 0.38 C ATOM 0 H ALA A 29 -11.721 -0.160 -4.268 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.310 2.052 -4.801 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.088 0.352 -5.047 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.574 -0.162 -5.829 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.041 -0.849 -4.255 1.00 0.38 H new ATOM 421 N GLY A 30 -14.251 2.797 -2.697 1.00 0.35 N ATOM 422 CA GLY A 30 -15.049 3.274 -1.589 1.00 0.42 C ATOM 423 C GLY A 30 -16.387 2.566 -1.526 1.00 0.50 C ATOM 424 O GLY A 30 -16.838 2.168 -0.456 1.00 0.76 O ATOM 0 H GLY A 30 -13.906 3.530 -3.316 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.509 3.117 -0.655 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.208 4.348 -1.689 1.00 0.42 H new ATOM 428 N ALA A 31 -17.009 2.430 -2.697 1.00 0.49 N ATOM 429 CA ALA A 31 -18.278 1.723 -2.861 1.00 0.55 C ATOM 430 C ALA A 31 -19.374 2.241 -1.932 1.00 0.64 C ATOM 431 O ALA A 31 -19.282 3.342 -1.390 1.00 0.71 O ATOM 432 CB ALA A 31 -18.056 0.250 -2.623 1.00 0.58 C ATOM 0 H ALA A 31 -16.641 2.812 -3.568 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.623 1.901 -3.879 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.998 -0.284 -2.744 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.329 -0.129 -3.342 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.679 0.098 -1.612 1.00 0.58 H new ATOM 438 N SER A 32 -20.429 1.455 -1.791 1.00 0.85 N ATOM 439 CA SER A 32 -21.481 1.755 -0.840 1.00 0.96 C ATOM 440 C SER A 32 -21.011 1.353 0.558 1.00 1.01 C ATOM 441 O SER A 32 -20.715 2.209 1.388 1.00 1.69 O ATOM 442 CB SER A 32 -22.769 1.022 -1.239 1.00 1.19 C ATOM 443 OG SER A 32 -22.542 -0.377 -1.378 1.00 1.74 O ATOM 0 H SER A 32 -20.578 0.600 -2.327 1.00 0.85 H new ATOM 0 HA SER A 32 -21.700 2.823 -0.838 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.538 1.196 -0.486 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.145 1.427 -2.178 1.00 1.19 H new ATOM 0 HG SER A 32 -23.378 -0.821 -1.631 1.00 1.74 H new ATOM 449 N LEU A 33 -20.938 0.037 0.789 1.00 0.96 N ATOM 450 CA LEU A 33 -20.285 -0.531 1.967 1.00 0.93 C ATOM 451 C LEU A 33 -21.077 -0.243 3.269 1.00 0.90 C ATOM 452 O LEU A 33 -21.941 0.631 3.313 1.00 0.98 O ATOM 453 CB LEU A 33 -18.778 -0.057 1.983 1.00 0.99 C ATOM 454 CG LEU A 33 -18.161 0.401 3.288 1.00 1.26 C ATOM 455 CD1 LEU A 33 -18.904 1.586 3.885 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.050 -0.801 4.192 1.00 1.95 C ATOM 0 H LEU A 33 -21.332 -0.663 0.161 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.281 -1.620 1.913 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.171 -0.880 1.604 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.684 0.763 1.270 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.156 0.792 3.129 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -18.427 1.881 4.820 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -18.879 2.421 3.185 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -19.940 1.306 4.078 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.608 -0.502 5.142 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.042 -1.217 4.368 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -17.420 -1.554 3.720 1.00 1.95 H new ATOM 468 N LEU A 34 -20.806 -1.048 4.296 1.00 0.87 N ATOM 469 CA LEU A 34 -21.265 -0.796 5.661 1.00 0.89 C ATOM 470 C LEU A 34 -20.435 0.324 6.331 1.00 0.84 C ATOM 471 O LEU A 34 -20.934 1.428 6.545 1.00 0.95 O ATOM 472 CB LEU A 34 -21.154 -2.077 6.473 1.00 1.01 C ATOM 473 CG LEU A 34 -21.889 -2.048 7.807 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.393 -2.109 7.586 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.416 -3.181 8.705 1.00 1.47 C ATOM 0 H LEU A 34 -20.256 -1.902 4.202 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.304 -0.469 5.623 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.541 -2.904 5.878 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.100 -2.284 6.658 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.661 -1.108 8.310 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.903 -2.087 8.549 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.708 -1.253 6.989 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.647 -3.030 7.062 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.953 -3.143 9.653 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.609 -4.137 8.217 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.347 -3.077 8.889 1.00 1.47 H new ATOM 487 N LYS A 35 -19.165 0.030 6.672 1.00 0.76 N ATOM 488 CA LYS A 35 -18.225 1.062 7.146 1.00 0.76 C ATOM 489 C LYS A 35 -16.940 1.153 6.313 1.00 0.65 C ATOM 490 O LYS A 35 -16.265 0.152 6.075 1.00 0.75 O ATOM 491 CB LYS A 35 -17.895 0.851 8.634 1.00 0.90 C ATOM 492 CG LYS A 35 -17.746 -0.619 9.055 1.00 0.92 C ATOM 493 CD LYS A 35 -16.516 -1.290 8.442 1.00 0.90 C ATOM 494 CE LYS A 35 -15.219 -0.723 8.995 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.113 -0.877 10.467 1.00 1.40 N ATOM 0 H LYS A 35 -18.769 -0.909 6.628 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.734 2.018 7.020 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.969 1.377 8.865 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.680 1.309 9.235 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.682 -0.676 10.142 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.639 -1.169 8.759 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.554 -2.362 8.636 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -16.535 -1.161 7.360 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.376 -1.223 8.519 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -15.149 0.334 8.738 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.126 -0.732 10.761 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.720 -0.174 10.934 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.418 -1.833 10.739 1.00 1.40 H new ATOM 509 N PRO A 36 -16.597 2.392 5.885 1.00 0.65 N ATOM 510 CA PRO A 36 -15.525 2.678 4.922 1.00 0.56 C ATOM 511 C PRO A 36 -14.360 1.710 5.018 1.00 0.45 C ATOM 512 O PRO A 36 -13.840 1.477 6.113 1.00 0.47 O ATOM 513 CB PRO A 36 -15.104 4.082 5.334 1.00 0.61 C ATOM 514 CG PRO A 36 -16.380 4.727 5.736 1.00 0.88 C ATOM 515 CD PRO A 36 -17.216 3.640 6.361 1.00 0.88 C ATOM 0 HA PRO A 36 -15.854 2.584 3.887 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -14.389 4.061 6.157 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.627 4.615 4.511 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -16.202 5.537 6.443 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.886 5.162 4.874 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -17.202 3.702 7.449 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -18.259 3.711 6.051 1.00 0.88 H new ATOM 523 N PRO A 37 -13.947 1.130 3.874 1.00 0.40 N ATOM 524 CA PRO A 37 -12.964 0.057 3.852 1.00 0.35 C ATOM 525 C PRO A 37 -11.760 0.347 4.711 1.00 0.32 C ATOM 526 O PRO A 37 -11.167 1.426 4.650 1.00 0.36 O ATOM 527 CB PRO A 37 -12.527 -0.056 2.401 1.00 0.40 C ATOM 528 CG PRO A 37 -13.244 1.021 1.648 1.00 0.53 C ATOM 529 CD PRO A 37 -14.376 1.505 2.517 1.00 0.47 C ATOM 0 HA PRO A 37 -13.404 -0.858 4.248 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.447 0.063 2.312 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.773 -1.039 1.999 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.565 1.840 1.411 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.624 0.638 0.701 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -14.522 2.581 2.425 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.320 1.031 2.248 1.00 0.47 H new ATOM 537 N VAL A 38 -11.404 -0.636 5.495 1.00 0.29 N ATOM 538 CA VAL A 38 -10.255 -0.538 6.336 1.00 0.27 C ATOM 539 C VAL A 38 -9.148 -1.238 5.633 1.00 0.22 C ATOM 540 O VAL A 38 -9.085 -2.460 5.561 1.00 0.20 O ATOM 541 CB VAL A 38 -10.422 -1.201 7.697 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.462 -0.596 8.710 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.856 -1.133 8.183 1.00 0.77 C ATOM 0 H VAL A 38 -11.905 -1.522 5.564 1.00 0.29 H new ATOM 0 HA VAL A 38 -10.070 0.521 6.519 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.175 -2.257 7.585 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.597 -1.083 9.676 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.436 -0.741 8.371 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.664 0.470 8.810 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.933 -1.617 9.157 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -12.161 -0.090 8.270 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.506 -1.643 7.472 1.00 0.77 H new ATOM 553 N VAL A 39 -8.307 -0.445 5.114 1.00 0.22 N ATOM 554 CA VAL A 39 -7.144 -0.902 4.440 1.00 0.21 C ATOM 555 C VAL A 39 -5.968 -0.566 5.305 1.00 0.20 C ATOM 556 O VAL A 39 -5.670 0.598 5.560 1.00 0.23 O ATOM 557 CB VAL A 39 -6.919 -0.210 3.093 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.051 -1.064 2.181 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.231 0.165 2.420 1.00 0.24 C ATOM 0 H VAL A 39 -8.400 0.570 5.140 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.265 -1.970 4.256 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.387 0.721 3.290 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.906 -0.550 1.231 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.083 -1.233 2.653 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.541 -2.022 2.005 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.025 0.653 1.468 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.821 -0.735 2.246 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.788 0.846 3.063 1.00 0.24 H new ATOM 569 N LYS A 40 -5.332 -1.574 5.764 1.00 0.19 N ATOM 570 CA LYS A 40 -4.117 -1.420 6.462 1.00 0.20 C ATOM 571 C LYS A 40 -2.992 -1.831 5.585 1.00 0.19 C ATOM 572 O LYS A 40 -3.001 -2.873 4.926 1.00 0.21 O ATOM 573 CB LYS A 40 -4.108 -2.174 7.782 1.00 0.26 C ATOM 574 CG LYS A 40 -4.441 -3.651 7.687 1.00 0.31 C ATOM 575 CD LYS A 40 -3.216 -4.524 7.373 1.00 0.37 C ATOM 576 CE LYS A 40 -2.225 -4.608 8.541 1.00 0.86 C ATOM 577 NZ LYS A 40 -1.466 -3.338 8.762 1.00 1.54 N ATOM 0 H LYS A 40 -5.644 -2.540 5.665 1.00 0.19 H new ATOM 0 HA LYS A 40 -4.000 -0.368 6.722 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.122 -2.069 8.235 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.821 -1.700 8.457 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.883 -3.979 8.628 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.194 -3.799 6.913 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.550 -5.529 7.114 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.705 -4.122 6.498 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.767 -4.863 9.452 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -1.520 -5.417 8.353 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -0.511 -3.560 9.107 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -1.397 -2.814 7.866 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -1.962 -2.755 9.466 1.00 1.54 H new ATOM 591 N TRP A 41 -2.078 -0.950 5.525 1.00 0.18 N ATOM 592 CA TRP A 41 -0.861 -1.180 4.820 1.00 0.19 C ATOM 593 C TRP A 41 0.117 -1.944 5.676 1.00 0.21 C ATOM 594 O TRP A 41 0.075 -1.901 6.903 1.00 0.28 O ATOM 595 CB TRP A 41 -0.260 0.144 4.397 1.00 0.21 C ATOM 596 CG TRP A 41 -0.971 0.766 3.256 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.135 1.469 3.304 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.564 0.735 1.886 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.462 1.902 2.041 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.521 1.451 1.155 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.523 0.172 1.210 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.426 1.614 -0.223 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.609 0.339 -0.159 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.365 1.053 -0.859 1.00 0.33 C ATOM 0 H TRP A 41 -2.142 -0.032 5.966 1.00 0.18 H new ATOM 0 HA TRP A 41 -1.078 -1.778 3.935 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.274 0.830 5.244 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.785 -0.008 4.127 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.713 1.658 4.197 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.276 2.469 1.802 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.279 -0.382 1.747 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.173 2.170 -0.771 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.443 -0.089 -0.696 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.273 1.162 -1.930 1.00 0.33 H new ATOM 615 N PHE A 42 0.963 -2.666 5.005 1.00 0.21 N ATOM 616 CA PHE A 42 2.106 -3.294 5.607 1.00 0.23 C ATOM 617 C PHE A 42 3.267 -2.867 4.758 1.00 0.26 C ATOM 618 O PHE A 42 3.135 -2.753 3.548 1.00 0.34 O ATOM 619 CB PHE A 42 1.981 -4.823 5.641 1.00 0.26 C ATOM 620 CG PHE A 42 2.971 -5.494 6.564 1.00 0.30 C ATOM 621 CD1 PHE A 42 4.231 -5.853 6.106 1.00 0.37 C ATOM 622 CD2 PHE A 42 2.640 -5.766 7.884 1.00 0.49 C ATOM 623 CE1 PHE A 42 5.138 -6.472 6.947 1.00 0.50 C ATOM 624 CE2 PHE A 42 3.545 -6.388 8.731 1.00 0.62 C ATOM 625 CZ PHE A 42 4.795 -6.721 8.272 1.00 0.60 C ATOM 0 H PHE A 42 0.879 -2.840 4.004 1.00 0.21 H new ATOM 0 HA PHE A 42 2.218 -2.997 6.650 1.00 0.23 H new ATOM 0 HB2 PHE A 42 0.971 -5.089 5.951 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.117 -5.212 4.632 1.00 0.26 H new ATOM 0 HD1 PHE A 42 4.506 -5.647 5.082 1.00 0.37 H new ATOM 0 HD2 PHE A 42 1.665 -5.490 8.257 1.00 0.49 H new ATOM 0 HE1 PHE A 42 6.110 -6.761 6.576 1.00 0.50 H new ATOM 0 HE2 PHE A 42 3.267 -6.610 9.751 1.00 0.62 H new ATOM 0 HZ PHE A 42 5.512 -7.176 8.939 1.00 0.60 H new ATOM 635 N LYS A 43 4.356 -2.552 5.383 1.00 0.28 N ATOM 636 CA LYS A 43 5.489 -1.989 4.705 1.00 0.31 C ATOM 637 C LYS A 43 6.493 -3.095 4.480 1.00 0.39 C ATOM 638 O LYS A 43 6.237 -4.186 4.916 1.00 0.81 O ATOM 639 CB LYS A 43 6.067 -0.822 5.534 1.00 0.40 C ATOM 640 CG LYS A 43 7.098 0.040 4.830 1.00 0.54 C ATOM 641 CD LYS A 43 7.460 1.246 5.680 1.00 0.67 C ATOM 642 CE LYS A 43 6.229 1.772 6.361 1.00 1.29 C ATOM 643 NZ LYS A 43 6.262 3.241 6.570 1.00 2.17 N ATOM 0 H LYS A 43 4.489 -2.678 6.386 1.00 0.28 H new ATOM 0 HA LYS A 43 5.208 -1.574 3.737 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.243 -0.183 5.852 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.519 -1.232 6.437 1.00 0.40 H new ATOM 0 HG2 LYS A 43 7.992 -0.548 4.625 1.00 0.54 H new ATOM 0 HG3 LYS A 43 6.707 0.371 3.868 1.00 0.54 H new ATOM 0 HD2 LYS A 43 8.208 0.968 6.423 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.903 2.023 5.057 1.00 0.67 H new ATOM 0 HE2 LYS A 43 5.353 1.515 5.765 1.00 1.29 H new ATOM 0 HE3 LYS A 43 6.114 1.276 7.325 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 5.947 3.461 7.536 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 7.233 3.589 6.435 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 5.630 3.703 5.886 1.00 2.17 H new ATOM 657 N GLY A 44 7.528 -2.770 3.703 1.00 0.64 N ATOM 658 CA GLY A 44 8.783 -3.534 3.529 1.00 0.92 C ATOM 659 C GLY A 44 9.093 -4.665 4.526 1.00 0.39 C ATOM 660 O GLY A 44 8.232 -5.221 5.121 1.00 1.23 O ATOM 0 H GLY A 44 7.521 -1.918 3.142 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.773 -3.966 2.528 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.611 -2.826 3.562 1.00 0.92 H new ATOM 664 N LYS A 45 10.303 -5.177 4.481 1.00 0.85 N ATOM 665 CA LYS A 45 10.696 -6.446 5.139 1.00 1.06 C ATOM 666 C LYS A 45 10.163 -6.706 6.581 1.00 0.74 C ATOM 667 O LYS A 45 10.427 -7.779 7.125 1.00 0.82 O ATOM 668 CB LYS A 45 12.225 -6.440 5.221 1.00 1.67 C ATOM 669 CG LYS A 45 12.912 -7.257 4.147 1.00 2.44 C ATOM 670 CD LYS A 45 14.421 -7.059 4.185 1.00 2.82 C ATOM 671 CE LYS A 45 15.022 -7.509 5.510 1.00 2.98 C ATOM 672 NZ LYS A 45 14.934 -8.984 5.703 1.00 3.87 N ATOM 0 H LYS A 45 11.071 -4.729 3.981 1.00 0.85 H new ATOM 0 HA LYS A 45 10.251 -7.234 4.531 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.576 -5.410 5.157 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.526 -6.820 6.197 1.00 1.67 H new ATOM 0 HG2 LYS A 45 12.678 -8.313 4.284 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.529 -6.970 3.168 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.881 -7.618 3.370 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.653 -6.007 4.020 1.00 2.82 H new ATOM 0 HE2 LYS A 45 16.067 -7.201 5.555 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.506 -7.007 6.329 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.430 -9.250 6.577 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 13.935 -9.266 5.772 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 15.375 -9.467 4.894 1.00 3.87 H new ATOM 686 N TRP A 46 9.423 -5.783 7.202 1.00 0.58 N ATOM 687 CA TRP A 46 8.961 -5.985 8.576 1.00 0.57 C ATOM 688 C TRP A 46 7.923 -4.970 9.063 1.00 0.63 C ATOM 689 O TRP A 46 7.239 -5.204 10.062 1.00 0.74 O ATOM 690 CB TRP A 46 10.144 -5.882 9.502 1.00 0.76 C ATOM 691 CG TRP A 46 11.045 -4.730 9.195 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.936 -4.651 8.174 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.131 -3.496 9.906 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.571 -3.442 8.189 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.096 -2.708 9.253 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.485 -2.984 11.032 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.423 -1.426 9.690 1.00 1.78 C ATOM 698 CZ3 TRP A 46 10.808 -1.714 11.464 1.00 2.10 C ATOM 699 CH2 TRP A 46 11.767 -0.949 10.797 1.00 2.11 C ATOM 0 H TRP A 46 9.135 -4.900 6.781 1.00 0.58 H new ATOM 0 HA TRP A 46 8.484 -6.965 8.583 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.785 -5.789 10.527 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.719 -6.807 9.448 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.117 -5.433 7.452 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.279 -3.134 7.523 1.00 1.38 H new ATOM 0 HE3 TRP A 46 9.745 -3.571 11.556 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.164 -0.831 9.177 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.311 -1.305 12.332 1.00 2.10 H new ATOM 0 HH2 TRP A 46 11.998 0.041 11.161 1.00 2.11 H new ATOM 710 N VAL A 47 7.817 -3.857 8.380 1.00 0.63 N ATOM 711 CA VAL A 47 7.207 -2.695 8.905 1.00 0.74 C ATOM 712 C VAL A 47 5.738 -2.621 8.582 1.00 0.59 C ATOM 713 O VAL A 47 5.193 -3.336 7.753 1.00 0.57 O ATOM 714 CB VAL A 47 7.872 -1.413 8.358 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.395 -0.565 9.491 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.988 -1.704 7.356 1.00 1.29 C ATOM 0 H VAL A 47 8.164 -3.747 7.427 1.00 0.63 H new ATOM 0 HA VAL A 47 7.337 -2.761 9.985 1.00 0.74 H new ATOM 0 HB VAL A 47 7.099 -0.864 7.820 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.860 0.334 9.088 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.570 -0.284 10.146 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.133 -1.132 10.059 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.417 -0.765 7.007 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.763 -2.300 7.838 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.581 -2.255 6.508 1.00 1.29 H new ATOM 726 N ASP A 48 5.148 -1.717 9.276 1.00 0.60 N ATOM 727 CA ASP A 48 3.809 -1.250 9.045 1.00 0.56 C ATOM 728 C ASP A 48 3.966 0.185 8.615 1.00 0.58 C ATOM 729 O ASP A 48 4.968 0.799 8.927 1.00 0.96 O ATOM 730 CB ASP A 48 2.955 -1.344 10.310 1.00 0.73 C ATOM 731 CG ASP A 48 1.507 -0.943 10.072 1.00 1.88 C ATOM 732 OD1 ASP A 48 1.202 0.269 10.114 1.00 2.22 O ATOM 733 OD2 ASP A 48 0.668 -1.838 9.838 1.00 2.73 O ATOM 0 H ASP A 48 5.600 -1.252 10.063 1.00 0.60 H new ATOM 0 HA ASP A 48 3.299 -1.854 8.295 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.987 -2.365 10.690 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.383 -0.703 11.081 1.00 0.73 H new ATOM 738 N LEU A 49 3.049 0.718 7.876 1.00 0.39 N ATOM 739 CA LEU A 49 3.172 2.103 7.459 1.00 0.35 C ATOM 740 C LEU A 49 2.539 3.083 8.407 1.00 0.41 C ATOM 741 O LEU A 49 3.112 4.140 8.627 1.00 0.44 O ATOM 742 CB LEU A 49 2.594 2.351 6.079 1.00 0.29 C ATOM 743 CG LEU A 49 3.315 1.723 4.899 1.00 0.25 C ATOM 744 CD1 LEU A 49 2.941 0.285 4.701 1.00 0.36 C ATOM 745 CD2 LEU A 49 2.982 2.470 3.645 1.00 0.28 C ATOM 0 H LEU A 49 2.213 0.236 7.545 1.00 0.39 H new ATOM 0 HA LEU A 49 4.249 2.271 7.449 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.565 1.993 6.075 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.557 3.428 5.917 1.00 0.29 H new ATOM 0 HG LEU A 49 4.382 1.776 5.116 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.483 -0.118 3.845 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.198 -0.284 5.594 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.869 0.210 4.519 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.502 2.015 2.802 1.00 0.28 H new ATOM 0 HD22 LEU A 49 1.906 2.430 3.472 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.295 3.509 3.747 1.00 0.28 H new ATOM 757 N SER A 50 1.424 2.726 9.006 1.00 0.48 N ATOM 758 CA SER A 50 0.560 3.684 9.664 1.00 0.58 C ATOM 759 C SER A 50 1.331 4.392 10.750 1.00 0.62 C ATOM 760 O SER A 50 0.971 5.484 11.189 1.00 0.70 O ATOM 761 CB SER A 50 -0.670 2.980 10.238 1.00 0.73 C ATOM 762 OG SER A 50 -1.623 3.915 10.714 1.00 1.23 O ATOM 0 H SER A 50 1.090 1.763 9.051 1.00 0.48 H new ATOM 0 HA SER A 50 0.217 4.422 8.939 1.00 0.58 H new ATOM 0 HB2 SER A 50 -1.124 2.353 9.471 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.368 2.320 11.051 1.00 0.73 H new ATOM 0 HG SER A 50 -2.399 3.437 11.074 1.00 1.23 H new ATOM 768 N SER A 51 2.407 3.759 11.175 1.00 0.64 N ATOM 769 CA SER A 51 3.203 4.314 12.207 1.00 0.75 C ATOM 770 C SER A 51 4.444 5.047 11.694 1.00 0.72 C ATOM 771 O SER A 51 4.932 5.976 12.333 1.00 0.85 O ATOM 772 CB SER A 51 3.591 3.230 13.197 1.00 0.90 C ATOM 773 OG SER A 51 2.523 2.951 14.085 1.00 1.34 O ATOM 0 H SER A 51 2.734 2.864 10.812 1.00 0.64 H new ATOM 0 HA SER A 51 2.594 5.070 12.704 1.00 0.75 H new ATOM 0 HB2 SER A 51 3.869 2.323 12.659 1.00 0.90 H new ATOM 0 HB3 SER A 51 4.467 3.546 13.763 1.00 0.90 H new ATOM 0 HG SER A 51 2.794 2.249 14.713 1.00 1.34 H new ATOM 779 N LYS A 52 4.953 4.629 10.548 1.00 0.62 N ATOM 780 CA LYS A 52 6.248 5.089 10.076 1.00 0.66 C ATOM 781 C LYS A 52 6.124 6.177 9.033 1.00 0.67 C ATOM 782 O LYS A 52 6.951 7.082 8.977 1.00 1.09 O ATOM 783 CB LYS A 52 6.996 3.921 9.476 1.00 0.65 C ATOM 784 CG LYS A 52 6.653 2.580 10.090 1.00 0.70 C ATOM 785 CD LYS A 52 6.816 2.505 11.608 1.00 0.78 C ATOM 786 CE LYS A 52 8.270 2.436 12.061 1.00 1.02 C ATOM 787 NZ LYS A 52 8.961 3.753 12.003 1.00 1.40 N ATOM 0 H LYS A 52 4.487 3.969 9.925 1.00 0.62 H new ATOM 0 HA LYS A 52 6.784 5.504 10.930 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.788 3.882 8.407 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.066 4.095 9.586 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.621 2.335 9.838 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.283 1.816 9.634 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.344 3.378 12.060 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.286 1.628 11.979 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.309 2.056 13.082 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.806 1.723 11.435 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.612 3.839 12.810 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 9.498 3.824 11.116 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.256 4.517 12.043 1.00 1.40 H new ATOM 801 N VAL A 53 5.147 5.976 8.162 1.00 0.34 N ATOM 802 CA VAL A 53 4.713 6.907 7.143 1.00 0.32 C ATOM 803 C VAL A 53 5.168 8.320 7.402 1.00 0.33 C ATOM 804 O VAL A 53 4.613 9.075 8.197 1.00 0.37 O ATOM 805 CB VAL A 53 3.192 6.789 6.980 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.555 7.957 6.254 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.892 5.541 6.213 1.00 0.35 C ATOM 0 H VAL A 53 4.609 5.110 8.150 1.00 0.34 H new ATOM 0 HA VAL A 53 5.190 6.641 6.200 1.00 0.32 H new ATOM 0 HB VAL A 53 2.771 6.774 7.986 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.479 7.797 6.180 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.748 8.877 6.806 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.979 8.038 5.253 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.814 5.441 6.088 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.368 5.593 5.234 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.275 4.678 6.758 1.00 0.35 H new ATOM 817 N GLY A 54 6.248 8.608 6.727 1.00 0.35 N ATOM 818 CA GLY A 54 6.916 9.887 6.860 1.00 0.41 C ATOM 819 C GLY A 54 7.683 10.282 5.614 1.00 0.44 C ATOM 820 O GLY A 54 7.312 9.902 4.513 1.00 0.70 O ATOM 0 H GLY A 54 6.694 7.968 6.069 1.00 0.35 H new ATOM 0 HA2 GLY A 54 6.177 10.656 7.085 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.602 9.847 7.706 1.00 0.41 H new ATOM 824 N GLN A 55 8.786 10.999 5.802 1.00 0.36 N ATOM 825 CA GLN A 55 9.521 11.620 4.694 1.00 0.43 C ATOM 826 C GLN A 55 10.117 10.592 3.717 1.00 0.39 C ATOM 827 O GLN A 55 10.498 10.935 2.603 1.00 0.50 O ATOM 828 CB GLN A 55 10.637 12.509 5.250 1.00 0.61 C ATOM 829 CG GLN A 55 11.181 13.507 4.244 1.00 1.43 C ATOM 830 CD GLN A 55 10.133 14.505 3.788 1.00 2.08 C ATOM 831 OE1 GLN A 55 10.159 14.973 2.651 1.00 2.75 O ATOM 832 NE2 GLN A 55 9.218 14.851 4.678 1.00 2.69 N ATOM 0 H GLN A 55 9.198 11.168 6.720 1.00 0.36 H new ATOM 0 HA GLN A 55 8.803 12.216 4.130 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.260 13.050 6.118 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.453 11.877 5.599 1.00 0.61 H new ATOM 0 HG2 GLN A 55 12.020 14.044 4.687 1.00 1.43 H new ATOM 0 HG3 GLN A 55 11.568 12.970 3.378 1.00 1.43 H new ATOM 0 HE21 GLN A 55 9.232 14.439 5.611 1.00 2.69 H new ATOM 0 HE22 GLN A 55 8.498 15.530 4.432 1.00 2.69 H new ATOM 841 N HIS A 56 10.202 9.335 4.133 1.00 0.36 N ATOM 842 CA HIS A 56 10.762 8.286 3.273 1.00 0.41 C ATOM 843 C HIS A 56 9.656 7.435 2.664 1.00 0.35 C ATOM 844 O HIS A 56 9.751 6.984 1.539 1.00 0.42 O ATOM 845 CB HIS A 56 11.738 7.407 4.067 1.00 0.54 C ATOM 846 CG HIS A 56 11.126 6.754 5.270 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.499 5.525 5.225 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.000 7.190 6.546 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.006 5.242 6.416 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.300 6.234 7.233 1.00 1.33 N ATOM 0 H HIS A 56 9.895 9.013 5.051 1.00 0.36 H new ATOM 0 HA HIS A 56 11.307 8.767 2.461 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.134 6.634 3.408 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.583 8.017 4.387 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.380 8.118 6.947 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.456 4.350 6.677 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.046 6.282 8.220 1.00 1.33 H new ATOM 859 N LEU A 57 8.625 7.212 3.440 1.00 0.28 N ATOM 860 CA LEU A 57 7.420 6.564 2.972 1.00 0.25 C ATOM 861 C LEU A 57 6.264 7.438 3.381 1.00 0.23 C ATOM 862 O LEU A 57 5.860 7.405 4.530 1.00 0.29 O ATOM 863 CB LEU A 57 7.297 5.176 3.664 1.00 0.38 C ATOM 864 CG LEU A 57 5.994 4.363 3.598 1.00 0.28 C ATOM 865 CD1 LEU A 57 4.896 4.961 2.723 1.00 1.11 C ATOM 866 CD2 LEU A 57 6.304 2.956 3.153 1.00 1.10 C ATOM 0 H LEU A 57 8.596 7.477 4.425 1.00 0.28 H new ATOM 0 HA LEU A 57 7.434 6.422 1.891 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.086 4.546 3.254 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.525 5.326 4.719 1.00 0.38 H new ATOM 0 HG LEU A 57 5.586 4.378 4.608 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.020 4.312 2.744 1.00 1.11 H new ATOM 0 HD12 LEU A 57 4.626 5.947 3.101 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.256 5.051 1.698 1.00 1.11 H new ATOM 0 HD21 LEU A 57 5.381 2.378 3.106 1.00 1.10 H new ATOM 0 HD22 LEU A 57 6.768 2.980 2.167 1.00 1.10 H new ATOM 0 HD23 LEU A 57 6.987 2.492 3.864 1.00 1.10 H new ATOM 878 N GLN A 58 5.712 8.171 2.452 1.00 0.20 N ATOM 879 CA GLN A 58 4.486 8.833 2.676 1.00 0.21 C ATOM 880 C GLN A 58 3.406 7.955 2.118 1.00 0.18 C ATOM 881 O GLN A 58 3.335 7.695 0.924 1.00 0.19 O ATOM 882 CB GLN A 58 4.458 10.187 1.971 1.00 0.27 C ATOM 883 CG GLN A 58 5.636 11.096 2.285 1.00 0.46 C ATOM 884 CD GLN A 58 6.808 10.923 1.341 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.864 11.546 0.285 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.772 10.117 1.736 1.00 0.28 N ATOM 0 H GLN A 58 6.111 8.317 1.524 1.00 0.20 H new ATOM 0 HA GLN A 58 4.346 9.013 3.742 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.424 10.019 0.895 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.537 10.703 2.243 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.303 12.133 2.250 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.971 10.903 3.304 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.688 9.617 2.621 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.603 9.993 1.157 1.00 0.28 H new ATOM 895 N LEU A 59 2.587 7.512 2.996 1.00 0.20 N ATOM 896 CA LEU A 59 1.422 6.750 2.653 1.00 0.20 C ATOM 897 C LEU A 59 0.285 7.742 2.664 1.00 0.21 C ATOM 898 O LEU A 59 -0.274 8.065 3.715 1.00 0.23 O ATOM 899 CB LEU A 59 1.218 5.622 3.689 1.00 0.23 C ATOM 900 CG LEU A 59 0.227 4.497 3.389 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.000 3.759 4.684 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.069 5.006 2.792 1.00 0.23 C ATOM 0 H LEU A 59 2.700 7.666 3.998 1.00 0.20 H new ATOM 0 HA LEU A 59 1.499 6.263 1.681 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.190 5.162 3.868 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.909 6.089 4.624 1.00 0.23 H new ATOM 0 HG LEU A 59 0.637 3.829 2.631 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.704 2.943 4.519 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.946 3.355 5.043 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.407 4.445 5.427 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.735 4.165 2.599 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.546 5.694 3.490 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.860 5.525 1.857 1.00 0.23 H new ATOM 914 N HIS A 60 0.007 8.276 1.502 1.00 0.22 N ATOM 915 CA HIS A 60 -1.033 9.211 1.332 1.00 0.25 C ATOM 916 C HIS A 60 -2.318 8.496 1.131 1.00 0.24 C ATOM 917 O HIS A 60 -2.379 7.327 0.752 1.00 0.26 O ATOM 918 CB HIS A 60 -0.801 10.138 0.144 1.00 0.37 C ATOM 919 CG HIS A 60 0.342 11.096 0.292 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.160 12.449 0.468 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.680 10.903 0.249 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.332 13.047 0.530 1.00 1.91 C ATOM 923 NE2 HIS A 60 2.275 12.134 0.404 1.00 2.03 N ATOM 0 H HIS A 60 0.515 8.058 0.645 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.061 9.822 2.234 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.630 9.528 -0.743 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.712 10.710 -0.033 1.00 0.37 H new ATOM 0 HD2 HIS A 60 2.187 9.959 0.117 1.00 1.65 H new ATOM 0 HE1 HIS A 60 1.493 14.107 0.662 1.00 1.91 H new ATOM 0 HE2 HIS A 60 3.279 12.311 0.419 1.00 2.03 H new ATOM 932 N ASP A 61 -3.315 9.236 1.388 1.00 0.29 N ATOM 933 CA ASP A 61 -4.658 8.825 1.241 1.00 0.32 C ATOM 934 C ASP A 61 -5.420 9.865 0.513 1.00 0.35 C ATOM 935 O ASP A 61 -5.554 11.017 0.919 1.00 0.48 O ATOM 936 CB ASP A 61 -5.340 8.519 2.544 1.00 0.44 C ATOM 937 CG ASP A 61 -4.713 9.192 3.756 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.706 10.440 3.820 1.00 0.92 O ATOM 939 OD2 ASP A 61 -4.227 8.472 4.654 1.00 0.73 O ATOM 0 H ASP A 61 -3.220 10.194 1.724 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.637 7.894 0.675 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.384 8.824 2.474 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.333 7.440 2.699 1.00 0.44 H new ATOM 944 N SER A 62 -5.874 9.415 -0.584 1.00 0.29 N ATOM 945 CA SER A 62 -6.710 10.198 -1.451 1.00 0.32 C ATOM 946 C SER A 62 -8.132 9.735 -1.297 1.00 0.32 C ATOM 947 O SER A 62 -8.395 8.548 -1.099 1.00 0.41 O ATOM 948 CB SER A 62 -6.273 10.095 -2.906 1.00 0.40 C ATOM 949 OG SER A 62 -4.864 9.961 -3.008 1.00 0.47 O ATOM 0 H SER A 62 -5.682 8.475 -0.930 1.00 0.29 H new ATOM 0 HA SER A 62 -6.622 11.247 -1.167 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.758 9.239 -3.375 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.597 10.982 -3.450 1.00 0.40 H new ATOM 0 HG SER A 62 -4.597 9.070 -2.700 1.00 0.47 H new ATOM 955 N TYR A 63 -9.039 10.664 -1.401 1.00 0.38 N ATOM 956 CA TYR A 63 -10.425 10.384 -1.166 1.00 0.45 C ATOM 957 C TYR A 63 -11.274 11.097 -2.175 1.00 0.47 C ATOM 958 O TYR A 63 -11.571 12.289 -2.060 1.00 0.54 O ATOM 959 CB TYR A 63 -10.809 10.742 0.266 1.00 0.64 C ATOM 960 CG TYR A 63 -12.295 10.830 0.548 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.090 9.694 0.572 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.896 12.055 0.808 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.443 9.774 0.836 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.249 12.147 1.078 1.00 1.06 C ATOM 965 CZ TYR A 63 -15.018 11.001 1.091 1.00 1.07 C ATOM 966 OH TYR A 63 -16.365 11.079 1.363 1.00 1.39 O ATOM 0 H TYR A 63 -8.839 11.633 -1.650 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.601 9.315 -1.286 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.375 9.999 0.935 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.354 11.700 0.515 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.643 8.730 0.381 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.295 12.952 0.799 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.048 8.879 0.843 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.700 13.108 1.277 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.613 12.014 1.521 1.00 1.39 H new ATOM 976 N ASP A 64 -11.618 10.345 -3.182 1.00 0.47 N ATOM 977 CA ASP A 64 -12.491 10.796 -4.212 1.00 0.57 C ATOM 978 C ASP A 64 -13.764 9.998 -4.151 1.00 0.57 C ATOM 979 O ASP A 64 -13.800 8.827 -4.515 1.00 0.63 O ATOM 980 CB ASP A 64 -11.856 10.586 -5.554 1.00 0.71 C ATOM 981 CG ASP A 64 -10.536 11.310 -5.728 1.00 1.53 C ATOM 982 OD1 ASP A 64 -10.551 12.508 -6.083 1.00 2.00 O ATOM 983 OD2 ASP A 64 -9.478 10.677 -5.523 1.00 2.42 O ATOM 0 H ASP A 64 -11.291 9.387 -3.306 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.695 11.857 -4.071 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.697 9.519 -5.707 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.547 10.919 -6.328 1.00 0.71 H new ATOM 988 N ARG A 65 -14.790 10.618 -3.660 1.00 0.60 N ATOM 989 CA ARG A 65 -16.069 9.966 -3.519 1.00 0.64 C ATOM 990 C ARG A 65 -16.781 9.878 -4.856 1.00 0.74 C ATOM 991 O ARG A 65 -17.432 8.880 -5.156 1.00 0.88 O ATOM 992 CB ARG A 65 -16.927 10.690 -2.494 1.00 0.74 C ATOM 993 CG ARG A 65 -17.461 9.741 -1.454 1.00 0.86 C ATOM 994 CD ARG A 65 -18.322 8.670 -2.104 1.00 1.00 C ATOM 995 NE ARG A 65 -19.731 9.049 -2.136 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.503 8.996 -3.225 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.984 8.651 -4.396 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.786 9.320 -3.151 1.00 2.07 N ATOM 0 H ARG A 65 -14.773 11.588 -3.344 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.897 8.950 -3.163 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.338 11.469 -2.010 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.757 11.185 -2.997 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.634 9.276 -0.919 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.048 10.291 -0.718 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.971 8.490 -3.120 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.210 7.733 -1.558 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.155 9.377 -1.268 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.992 8.425 -4.467 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.577 8.612 -5.225 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.188 9.611 -2.260 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.372 9.278 -3.985 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.621 10.910 -5.654 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.203 10.963 -6.991 1.00 0.93 C ATOM 1014 C ALA A 66 -16.464 10.031 -7.939 1.00 0.83 C ATOM 1015 O ALA A 66 -16.923 9.754 -9.044 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.187 12.386 -7.519 1.00 1.15 C ATOM 0 H ALA A 66 -16.085 11.740 -5.401 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.239 10.629 -6.928 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.624 12.409 -8.517 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.766 13.027 -6.854 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.159 12.745 -7.565 1.00 1.15 H new ATOM 1022 N SER A 67 -15.310 9.561 -7.498 1.00 0.72 N ATOM 1023 CA SER A 67 -14.578 8.544 -8.221 1.00 0.72 C ATOM 1024 C SER A 67 -14.801 7.227 -7.500 1.00 0.58 C ATOM 1025 O SER A 67 -14.640 6.146 -8.066 1.00 0.63 O ATOM 1026 CB SER A 67 -13.085 8.892 -8.289 1.00 0.83 C ATOM 1027 OG SER A 67 -12.369 7.979 -9.103 1.00 1.41 O ATOM 0 H SER A 67 -14.860 9.872 -6.637 1.00 0.72 H new ATOM 0 HA SER A 67 -14.932 8.475 -9.250 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.964 9.901 -8.682 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.665 8.889 -7.283 1.00 0.83 H new ATOM 0 HG SER A 67 -11.423 8.232 -9.124 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.210 7.355 -6.233 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.526 6.216 -5.387 1.00 0.50 C ATOM 1035 C LYS A 68 -14.280 5.374 -5.159 1.00 0.44 C ATOM 1036 O LYS A 68 -14.339 4.153 -5.036 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.636 5.402 -6.035 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.311 4.396 -5.120 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.114 5.042 -3.994 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.233 5.482 -2.828 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.016 5.637 -1.573 1.00 3.31 N ATOM 0 H LYS A 68 -15.329 8.257 -5.771 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.874 6.562 -4.414 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.392 6.087 -6.418 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.223 4.871 -6.893 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.973 3.765 -5.712 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.552 3.744 -4.687 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.652 5.905 -4.385 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.862 4.336 -3.634 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.441 4.749 -2.674 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -16.750 6.427 -3.074 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -17.426 6.096 -0.850 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -18.855 6.223 -1.758 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -18.315 4.701 -1.233 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.155 6.052 -5.062 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.894 5.406 -4.833 1.00 0.31 C ATOM 1057 C VAL A 69 -11.137 6.147 -3.759 1.00 0.29 C ATOM 1058 O VAL A 69 -11.093 7.379 -3.734 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.997 5.375 -6.083 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.826 4.433 -5.875 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.781 4.985 -7.325 1.00 0.43 C ATOM 0 H VAL A 69 -13.097 7.067 -5.141 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.123 4.380 -4.544 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.613 6.383 -6.238 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.203 4.424 -6.769 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.234 4.770 -5.024 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.198 3.427 -5.682 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.114 4.974 -8.187 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.212 3.993 -7.187 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.580 5.708 -7.493 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.578 5.389 -2.870 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.593 5.896 -1.960 1.00 0.25 C ATOM 1073 C TYR A 70 -8.256 5.443 -2.462 1.00 0.22 C ATOM 1074 O TYR A 70 -7.939 4.250 -2.456 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.773 5.387 -0.546 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.206 5.385 -0.074 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.988 6.523 -0.184 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.778 4.246 0.469 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.301 6.528 0.234 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -13.091 4.245 0.890 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.847 5.389 0.770 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.160 5.392 1.182 1.00 0.93 O ATOM 0 H TYR A 70 -10.790 4.398 -2.752 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.687 6.981 -1.921 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.379 4.373 -0.483 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.179 6.003 0.130 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.561 7.422 -0.605 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.187 3.347 0.564 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.897 7.424 0.140 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.524 3.350 1.312 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.394 4.509 1.537 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.495 6.379 -2.921 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.183 6.077 -3.409 1.00 0.19 C ATOM 1094 C LEU A 71 -5.197 6.310 -2.316 1.00 0.20 C ATOM 1095 O LEU A 71 -4.876 7.437 -1.955 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.771 6.890 -4.634 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.270 6.779 -4.955 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.871 5.337 -5.235 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.872 7.676 -6.114 1.00 0.52 C ATOM 0 H LEU A 71 -7.756 7.364 -2.970 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.201 5.034 -3.724 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.347 6.554 -5.496 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.025 7.937 -4.470 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.730 7.119 -4.071 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.805 5.291 -5.458 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.085 4.724 -4.360 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.437 4.962 -6.088 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.805 7.568 -6.308 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.433 7.391 -7.004 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.092 8.714 -5.863 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.727 5.233 -1.807 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.636 5.256 -0.915 1.00 0.21 C ATOM 1113 C PHE A 72 -2.403 5.154 -1.761 1.00 0.23 C ATOM 1114 O PHE A 72 -2.140 4.135 -2.403 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.723 4.094 0.037 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.893 4.141 0.974 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.799 4.800 2.188 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -6.086 3.521 0.642 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.876 4.840 3.055 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -7.163 3.556 1.502 1.00 0.30 C ATOM 1121 CZ PHE A 72 -7.061 4.216 2.711 1.00 0.30 C ATOM 0 H PHE A 72 -5.095 4.302 -2.002 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.626 6.166 -0.315 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.774 3.171 -0.541 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.806 4.053 0.624 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.875 5.288 2.461 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.174 3.004 -0.302 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.792 5.358 3.999 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -8.087 3.067 1.230 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.904 4.245 3.385 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.677 6.210 -1.774 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.536 6.317 -2.633 1.00 0.26 C ATOM 1133 C GLU A 73 0.699 6.539 -1.821 1.00 0.20 C ATOM 1134 O GLU A 73 0.787 7.439 -0.989 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.702 7.409 -3.686 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.127 8.764 -3.145 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.091 9.839 -3.430 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.087 10.384 -4.546 1.00 1.09 O ATOM 1139 OE2 GLU A 73 0.723 10.147 -2.534 1.00 1.32 O ATOM 0 H GLU A 73 -1.849 7.030 -1.193 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.442 5.375 -3.174 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.242 7.527 -4.217 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.440 7.079 -4.417 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.079 9.050 -3.591 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.288 8.691 -2.069 1.00 0.59 H new ATOM 1146 N LEU A 74 1.640 5.680 -2.056 1.00 0.21 N ATOM 1147 CA LEU A 74 2.875 5.715 -1.359 1.00 0.21 C ATOM 1148 C LEU A 74 3.831 6.563 -2.125 1.00 0.20 C ATOM 1149 O LEU A 74 3.947 6.468 -3.346 1.00 0.25 O ATOM 1150 CB LEU A 74 3.500 4.333 -1.217 1.00 0.27 C ATOM 1151 CG LEU A 74 2.640 3.287 -0.513 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.482 2.446 0.407 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.479 3.911 0.251 1.00 0.96 C ATOM 0 H LEU A 74 1.567 4.930 -2.744 1.00 0.21 H new ATOM 0 HA LEU A 74 2.677 6.111 -0.363 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.748 3.963 -2.212 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.438 4.433 -0.671 1.00 0.27 H new ATOM 0 HG LEU A 74 2.211 2.651 -1.287 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.853 1.705 0.901 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.255 1.939 -0.170 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.949 3.084 1.158 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.897 3.126 0.734 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.866 4.593 1.008 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.841 4.461 -0.441 1.00 0.96 H new ATOM 1165 N HIS A 75 4.510 7.366 -1.399 1.00 0.18 N ATOM 1166 CA HIS A 75 5.656 8.044 -1.918 1.00 0.19 C ATOM 1167 C HIS A 75 6.787 7.546 -1.078 1.00 0.19 C ATOM 1168 O HIS A 75 6.992 7.993 0.047 1.00 0.19 O ATOM 1169 CB HIS A 75 5.529 9.574 -1.821 1.00 0.23 C ATOM 1170 CG HIS A 75 4.487 10.184 -2.722 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.130 11.512 -2.657 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.724 9.647 -3.708 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.200 11.764 -3.559 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.930 10.650 -4.213 1.00 0.94 N ATOM 0 H HIS A 75 4.295 7.579 -0.425 1.00 0.18 H new ATOM 0 HA HIS A 75 5.793 7.843 -2.981 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.297 9.840 -0.790 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.496 10.019 -2.055 1.00 0.23 H new ATOM 0 HD2 HIS A 75 3.738 8.618 -4.036 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.736 12.724 -3.733 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.248 10.550 -4.965 1.00 0.94 H new ATOM 1183 N ILE A 76 7.485 6.582 -1.606 1.00 0.21 N ATOM 1184 CA ILE A 76 8.514 5.942 -0.858 1.00 0.23 C ATOM 1185 C ILE A 76 9.823 6.104 -1.563 1.00 0.25 C ATOM 1186 O ILE A 76 10.140 5.429 -2.527 1.00 0.28 O ATOM 1187 CB ILE A 76 8.230 4.468 -0.675 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.889 4.226 0.003 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.354 3.798 0.115 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.606 2.755 0.103 1.00 0.52 C ATOM 0 H ILE A 76 7.356 6.226 -2.553 1.00 0.21 H new ATOM 0 HA ILE A 76 8.553 6.410 0.125 1.00 0.23 H new ATOM 0 HB ILE A 76 8.180 4.022 -1.668 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.893 4.670 0.999 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.096 4.717 -0.561 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.132 2.738 0.236 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.295 3.912 -0.423 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.438 4.266 1.096 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.643 2.602 0.590 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.580 2.321 -0.896 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.389 2.273 0.688 1.00 0.52 H new ATOM 1202 N THR A 77 10.570 7.006 -1.068 1.00 0.24 N ATOM 1203 CA THR A 77 11.802 7.339 -1.642 1.00 0.26 C ATOM 1204 C THR A 77 12.902 7.071 -0.672 1.00 0.36 C ATOM 1205 O THR A 77 12.757 7.177 0.550 1.00 0.58 O ATOM 1206 CB THR A 77 11.858 8.793 -2.105 1.00 0.32 C ATOM 1207 OG1 THR A 77 12.029 9.675 -0.991 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.578 9.146 -2.830 1.00 0.37 C ATOM 0 H THR A 77 10.335 7.544 -0.234 1.00 0.24 H new ATOM 0 HA THR A 77 11.926 6.715 -2.527 1.00 0.26 H new ATOM 0 HB THR A 77 12.709 8.907 -2.777 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.064 10.601 -1.309 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.621 10.184 -3.159 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.459 8.495 -3.696 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.730 9.013 -2.158 1.00 0.37 H new ATOM 1216 N ASP A 78 13.961 6.671 -1.270 1.00 0.30 N ATOM 1217 CA ASP A 78 15.210 6.385 -0.616 1.00 0.45 C ATOM 1218 C ASP A 78 15.105 5.096 0.146 1.00 0.45 C ATOM 1219 O ASP A 78 15.045 5.038 1.378 1.00 0.70 O ATOM 1220 CB ASP A 78 15.629 7.482 0.298 1.00 0.61 C ATOM 1221 CG ASP A 78 16.235 8.675 -0.415 1.00 1.44 C ATOM 1222 OD1 ASP A 78 15.475 9.448 -1.040 1.00 2.12 O ATOM 1223 OD2 ASP A 78 17.468 8.850 -0.359 1.00 1.97 O ATOM 0 H ASP A 78 13.996 6.523 -2.279 1.00 0.30 H new ATOM 0 HA ASP A 78 15.972 6.295 -1.390 1.00 0.45 H new ATOM 0 HB2 ASP A 78 14.764 7.814 0.872 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.354 7.091 1.012 1.00 0.61 H new ATOM 1228 N ALA A 79 15.041 4.081 -0.642 1.00 0.37 N ATOM 1229 CA ALA A 79 14.909 2.720 -0.175 1.00 0.34 C ATOM 1230 C ALA A 79 16.163 2.272 0.552 1.00 0.38 C ATOM 1231 O ALA A 79 17.224 2.108 -0.049 1.00 0.40 O ATOM 1232 CB ALA A 79 14.605 1.794 -1.338 1.00 0.34 C ATOM 0 H ALA A 79 15.079 4.162 -1.658 1.00 0.37 H new ATOM 0 HA ALA A 79 14.079 2.678 0.531 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.508 0.771 -0.973 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.673 2.100 -1.813 1.00 0.34 H new ATOM 0 HB3 ALA A 79 15.416 1.844 -2.065 1.00 0.34 H new ATOM 1238 N GLN A 80 16.034 2.128 1.853 1.00 0.47 N ATOM 1239 CA GLN A 80 17.066 1.534 2.675 1.00 0.55 C ATOM 1240 C GLN A 80 17.321 0.101 2.208 1.00 0.43 C ATOM 1241 O GLN A 80 16.384 -0.590 1.835 1.00 0.43 O ATOM 1242 CB GLN A 80 16.590 1.557 4.130 1.00 0.74 C ATOM 1243 CG GLN A 80 17.399 0.695 5.074 1.00 0.78 C ATOM 1244 CD GLN A 80 18.474 1.462 5.827 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.808 1.114 6.956 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.041 2.492 5.214 1.00 1.43 N ATOM 0 H GLN A 80 15.207 2.421 2.373 1.00 0.47 H new ATOM 0 HA GLN A 80 17.999 2.091 2.592 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.613 2.586 4.489 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.550 1.231 4.163 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.726 0.228 5.793 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.868 -0.109 4.507 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.740 2.755 4.276 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.778 3.021 5.681 1.00 1.43 H new ATOM 1255 N PRO A 81 18.581 -0.367 2.218 1.00 0.42 N ATOM 1256 CA PRO A 81 18.922 -1.724 1.762 1.00 0.44 C ATOM 1257 C PRO A 81 18.214 -2.802 2.578 1.00 0.54 C ATOM 1258 O PRO A 81 18.095 -3.946 2.148 1.00 1.33 O ATOM 1259 CB PRO A 81 20.436 -1.819 1.974 1.00 0.50 C ATOM 1260 CG PRO A 81 20.911 -0.413 2.103 1.00 0.57 C ATOM 1261 CD PRO A 81 19.764 0.377 2.668 1.00 0.49 C ATOM 0 HA PRO A 81 18.614 -1.886 0.729 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.671 -2.396 2.868 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.919 -2.320 1.135 1.00 0.50 H new ATOM 0 HG2 PRO A 81 21.780 -0.356 2.758 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.215 -0.016 1.134 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.813 0.434 3.755 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.760 1.401 2.295 1.00 0.49 H new ATOM 1269 N ALA A 82 17.745 -2.426 3.753 1.00 0.81 N ATOM 1270 CA ALA A 82 17.015 -3.341 4.609 1.00 0.88 C ATOM 1271 C ALA A 82 15.516 -3.108 4.492 1.00 0.77 C ATOM 1272 O ALA A 82 14.741 -3.564 5.336 1.00 0.91 O ATOM 1273 CB ALA A 82 17.462 -3.182 6.055 1.00 1.12 C ATOM 0 H ALA A 82 17.858 -1.488 4.138 1.00 0.81 H new ATOM 0 HA ALA A 82 17.230 -4.359 4.285 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.906 -3.875 6.686 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.528 -3.397 6.132 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.273 -2.160 6.384 1.00 1.12 H new ATOM 1279 N PHE A 83 15.101 -2.401 3.444 1.00 0.64 N ATOM 1280 CA PHE A 83 13.700 -2.107 3.262 1.00 0.68 C ATOM 1281 C PHE A 83 13.007 -3.273 2.584 1.00 0.76 C ATOM 1282 O PHE A 83 11.879 -3.588 2.954 1.00 1.24 O ATOM 1283 CB PHE A 83 13.519 -0.841 2.425 1.00 0.74 C ATOM 1284 CG PHE A 83 12.554 0.153 3.005 1.00 0.70 C ATOM 1285 CD1 PHE A 83 11.587 -0.235 3.922 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.616 1.484 2.629 1.00 0.75 C ATOM 1287 CE1 PHE A 83 10.708 0.686 4.450 1.00 0.90 C ATOM 1288 CE2 PHE A 83 11.737 2.410 3.154 1.00 0.83 C ATOM 1289 CZ PHE A 83 10.783 2.012 4.066 1.00 0.88 C ATOM 0 H PHE A 83 15.715 -2.028 2.720 1.00 0.64 H new ATOM 0 HA PHE A 83 13.253 -1.944 4.243 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.489 -0.359 2.303 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.176 -1.124 1.430 1.00 0.74 H new ATOM 0 HD1 PHE A 83 11.523 -1.270 4.225 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.362 1.802 1.916 1.00 0.75 H new ATOM 0 HE1 PHE A 83 9.961 0.372 5.164 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.797 3.445 2.851 1.00 0.83 H new ATOM 0 HZ PHE A 83 10.095 2.735 4.480 1.00 0.88 H new ATOM 1299 N THR A 84 13.735 -3.916 1.641 1.00 0.55 N ATOM 1300 CA THR A 84 13.224 -4.942 0.740 1.00 0.58 C ATOM 1301 C THR A 84 11.751 -5.200 0.947 1.00 0.80 C ATOM 1302 O THR A 84 11.330 -6.090 1.686 1.00 1.22 O ATOM 1303 CB THR A 84 14.021 -6.230 0.860 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.410 -5.960 0.627 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.524 -7.274 -0.140 1.00 1.17 C ATOM 0 H THR A 84 14.725 -3.719 1.492 1.00 0.55 H new ATOM 0 HA THR A 84 13.346 -4.559 -0.273 1.00 0.58 H new ATOM 0 HB THR A 84 13.887 -6.627 1.866 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.923 -6.791 0.706 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.110 -8.187 -0.035 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.474 -7.493 0.054 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.633 -6.888 -1.153 1.00 1.17 H new ATOM 1313 N GLY A 85 11.009 -4.329 0.318 1.00 0.87 N ATOM 1314 CA GLY A 85 9.614 -4.228 0.483 1.00 1.43 C ATOM 1315 C GLY A 85 8.897 -5.521 0.421 1.00 0.96 C ATOM 1316 O GLY A 85 8.985 -6.271 -0.530 1.00 1.29 O ATOM 0 H GLY A 85 11.389 -3.653 -0.344 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.407 -3.757 1.444 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.216 -3.568 -0.288 1.00 1.43 H new ATOM 1320 N GLY A 86 8.299 -5.792 1.512 1.00 0.52 N ATOM 1321 CA GLY A 86 7.178 -6.655 1.550 1.00 0.52 C ATOM 1322 C GLY A 86 6.000 -5.864 2.040 1.00 0.40 C ATOM 1323 O GLY A 86 5.552 -6.013 3.161 1.00 0.43 O ATOM 0 H GLY A 86 8.574 -5.418 2.420 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.978 -7.063 0.559 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.370 -7.501 2.210 1.00 0.52 H new ATOM 1327 N TYR A 87 5.589 -4.934 1.217 1.00 0.34 N ATOM 1328 CA TYR A 87 4.450 -4.094 1.508 1.00 0.28 C ATOM 1329 C TYR A 87 3.169 -4.888 1.233 1.00 0.30 C ATOM 1330 O TYR A 87 2.954 -5.337 0.109 1.00 0.39 O ATOM 1331 CB TYR A 87 4.479 -2.858 0.615 1.00 0.35 C ATOM 1332 CG TYR A 87 5.728 -2.018 0.739 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.888 -2.372 0.071 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.753 -0.879 1.532 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.036 -1.619 0.190 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.902 -0.120 1.655 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.013 -0.451 0.952 1.00 0.54 C ATOM 1338 OH TYR A 87 9.179 0.261 1.092 1.00 0.63 O ATOM 0 H TYR A 87 6.035 -4.735 0.322 1.00 0.34 H new ATOM 0 HA TYR A 87 4.481 -3.782 2.552 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.372 -3.174 -0.423 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.615 -2.237 0.850 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.893 -3.253 -0.554 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.860 -0.581 2.062 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.945 -1.930 -0.302 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.915 0.737 2.312 1.00 0.54 H new ATOM 0 HH TYR A 87 9.015 1.051 1.648 1.00 0.63 H new ATOM 1348 N ARG A 88 2.339 -5.097 2.242 1.00 0.33 N ATOM 1349 CA ARG A 88 1.082 -5.811 2.038 1.00 0.36 C ATOM 1350 C ARG A 88 -0.106 -4.894 2.274 1.00 0.36 C ATOM 1351 O ARG A 88 -0.224 -4.271 3.320 1.00 0.60 O ATOM 1352 CB ARG A 88 0.958 -7.028 2.964 1.00 0.42 C ATOM 1353 CG ARG A 88 -0.361 -7.772 2.783 1.00 1.09 C ATOM 1354 CD ARG A 88 -0.698 -8.657 3.976 1.00 1.23 C ATOM 1355 NE ARG A 88 0.243 -9.765 4.140 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.180 -10.651 5.136 1.00 2.17 C ATOM 1357 NH1 ARG A 88 -0.807 -10.588 6.031 1.00 2.11 N ATOM 1358 NH2 ARG A 88 1.092 -11.614 5.224 1.00 3.15 N ATOM 0 H ARG A 88 2.506 -4.788 3.200 1.00 0.33 H new ATOM 0 HA ARG A 88 1.084 -6.156 1.004 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.785 -7.711 2.772 1.00 0.42 H new ATOM 0 HB3 ARG A 88 1.047 -6.702 4.000 1.00 0.42 H new ATOM 0 HG2 ARG A 88 -1.164 -7.051 2.631 1.00 1.09 H new ATOM 0 HG3 ARG A 88 -0.309 -8.385 1.883 1.00 1.09 H new ATOM 0 HD2 ARG A 88 -0.702 -8.052 4.883 1.00 1.23 H new ATOM 0 HD3 ARG A 88 -1.705 -9.056 3.854 1.00 1.23 H new ATOM 0 HE ARG A 88 0.990 -9.866 3.453 1.00 1.73 H new ATOM 0 HH11 ARG A 88 -1.518 -9.860 5.956 1.00 2.11 H new ATOM 0 HH12 ARG A 88 -0.851 -11.267 6.790 1.00 2.11 H new ATOM 0 HH21 ARG A 88 1.838 -11.675 4.531 1.00 3.15 H new ATOM 0 HH22 ARG A 88 1.046 -12.292 5.984 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.989 -4.823 1.308 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.230 -4.095 1.481 1.00 0.27 C ATOM 1374 C CYS A 89 -3.321 -5.063 1.851 1.00 0.25 C ATOM 1375 O CYS A 89 -3.766 -5.854 1.027 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.631 -3.369 0.214 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.522 -2.037 -0.251 1.00 1.08 S ATOM 0 H CYS A 89 -0.875 -5.259 0.393 1.00 0.26 H new ATOM 0 HA CYS A 89 -2.082 -3.356 2.269 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -2.680 -4.088 -0.604 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.634 -2.963 0.343 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.096 -1.434 0.819 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.744 -5.006 3.079 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.732 -5.933 3.568 1.00 0.28 C ATOM 1385 C GLU A 90 -5.997 -5.156 3.911 1.00 0.26 C ATOM 1386 O GLU A 90 -6.048 -4.447 4.917 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.150 -6.668 4.775 1.00 0.35 C ATOM 1388 CG GLU A 90 -4.970 -7.834 5.295 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.252 -8.561 6.417 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.202 -9.188 6.155 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -4.747 -8.519 7.567 1.00 1.43 O ATOM 0 H GLU A 90 -3.421 -4.325 3.767 1.00 0.26 H new ATOM 0 HA GLU A 90 -4.995 -6.680 2.818 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.158 -7.035 4.510 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.018 -5.951 5.585 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -5.934 -7.472 5.653 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.173 -8.529 4.481 1.00 1.19 H new ATOM 1398 N VAL A 91 -6.994 -5.247 3.036 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.202 -4.450 3.184 1.00 0.22 C ATOM 1400 C VAL A 91 -9.362 -5.284 3.681 1.00 0.22 C ATOM 1401 O VAL A 91 -9.544 -6.441 3.288 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.604 -3.727 1.872 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.756 -4.715 0.726 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -9.893 -2.920 2.049 1.00 0.51 C ATOM 0 H VAL A 91 -6.988 -5.862 2.222 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.967 -3.689 3.928 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.800 -3.033 1.627 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.038 -4.180 -0.181 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.810 -5.231 0.563 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.529 -5.443 0.973 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.145 -2.427 1.110 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.704 -3.589 2.337 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.749 -2.169 2.826 1.00 0.51 H new ATOM 1414 N SER A 92 -10.145 -4.667 4.537 1.00 0.22 N ATOM 1415 CA SER A 92 -11.311 -5.290 5.112 1.00 0.25 C ATOM 1416 C SER A 92 -12.470 -4.310 5.068 1.00 0.26 C ATOM 1417 O SER A 92 -12.481 -3.294 5.763 1.00 0.30 O ATOM 1418 CB SER A 92 -11.033 -5.738 6.550 1.00 0.32 C ATOM 1419 OG SER A 92 -9.945 -6.649 6.595 1.00 1.18 O ATOM 0 H SER A 92 -9.987 -3.711 4.855 1.00 0.22 H new ATOM 0 HA SER A 92 -11.568 -6.178 4.534 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.811 -4.869 7.169 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.924 -6.208 6.967 1.00 0.32 H new ATOM 0 HG SER A 92 -9.784 -6.921 7.523 1.00 1.18 H new ATOM 1425 N THR A 93 -13.414 -4.606 4.205 1.00 0.28 N ATOM 1426 CA THR A 93 -14.616 -3.817 4.066 1.00 0.35 C ATOM 1427 C THR A 93 -15.782 -4.733 4.346 1.00 0.39 C ATOM 1428 O THR A 93 -15.554 -5.935 4.414 1.00 0.59 O ATOM 1429 CB THR A 93 -14.668 -3.237 2.666 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.334 -2.933 2.258 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.482 -1.968 2.635 1.00 0.57 C ATOM 0 H THR A 93 -13.369 -5.407 3.575 1.00 0.28 H new ATOM 0 HA THR A 93 -14.643 -2.980 4.763 1.00 0.35 H new ATOM 0 HB THR A 93 -15.132 -3.964 1.999 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.817 -2.627 3.032 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.503 -1.574 1.619 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.500 -2.180 2.962 1.00 0.57 H new ATOM 0 HG23 THR A 93 -15.033 -1.231 3.301 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.992 -4.167 4.513 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.219 -4.918 4.887 1.00 0.43 C ATOM 1441 C LYS A 94 -18.066 -6.435 4.823 1.00 0.42 C ATOM 1442 O LYS A 94 -18.195 -7.135 5.823 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.408 -4.501 4.010 1.00 0.45 C ATOM 1444 CG LYS A 94 -19.055 -3.786 2.703 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.416 -4.690 1.658 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.298 -5.881 1.307 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.700 -5.496 0.978 1.00 0.65 N ATOM 0 H LYS A 94 -17.153 -3.167 4.392 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.401 -4.656 5.929 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.988 -5.392 3.769 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -20.056 -3.848 4.596 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.961 -3.347 2.284 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.374 -2.964 2.923 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.213 -4.112 0.756 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.456 -5.049 2.029 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.864 -6.409 0.458 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.306 -6.578 2.145 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.266 -6.353 0.815 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -21.107 -4.958 1.769 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.706 -4.908 0.120 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.776 -6.913 3.637 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.549 -8.314 3.397 1.00 0.40 C ATOM 1463 C ASP A 95 -16.564 -8.491 2.268 1.00 0.37 C ATOM 1464 O ASP A 95 -16.189 -9.606 1.949 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.843 -9.002 3.020 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.089 -10.289 3.774 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.182 -10.241 5.014 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.149 -11.353 3.134 1.00 1.05 O ATOM 0 H ASP A 95 -17.690 -6.332 2.803 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.153 -8.756 4.311 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.673 -8.320 3.203 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -18.834 -9.214 1.951 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.139 -7.381 1.664 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.251 -7.461 0.531 1.00 0.29 C ATOM 1475 C LYS A 96 -13.870 -7.443 1.088 1.00 0.27 C ATOM 1476 O LYS A 96 -13.479 -6.509 1.790 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.413 -6.333 -0.512 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.999 -6.794 -1.835 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.964 -7.521 -2.677 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.478 -7.803 -4.078 1.00 1.00 C ATOM 1481 NZ LYS A 96 -16.566 -8.802 -4.076 1.00 1.29 N ATOM 0 H LYS A 96 -16.397 -6.435 1.944 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.486 -8.371 -0.022 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.053 -5.555 -0.094 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.439 -5.880 -0.696 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.847 -7.453 -1.649 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.379 -5.934 -2.386 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.056 -6.921 -2.736 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.694 -8.459 -2.192 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -15.837 -6.876 -4.526 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.658 -8.161 -4.700 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.550 -9.335 -4.969 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -16.434 -9.457 -3.279 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -17.481 -8.318 -3.978 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.186 -8.506 0.870 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.896 -8.676 1.457 1.00 0.29 C ATOM 1497 C PHE A 97 -10.890 -9.179 0.439 1.00 0.32 C ATOM 1498 O PHE A 97 -11.199 -10.026 -0.400 1.00 0.47 O ATOM 1499 CB PHE A 97 -12.046 -9.606 2.648 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.764 -10.227 3.117 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.835 -9.464 3.806 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -10.480 -11.559 2.862 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.645 -10.020 4.236 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -9.293 -12.121 3.289 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.374 -11.349 3.975 1.00 0.74 C ATOM 0 H PHE A 97 -13.496 -9.282 0.285 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.503 -7.720 1.802 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.489 -9.050 3.474 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.746 -10.400 2.387 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.043 -8.424 4.009 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -11.194 -12.164 2.324 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -7.929 -9.417 4.775 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -9.083 -13.161 3.088 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.444 -11.785 4.307 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.696 -8.634 0.523 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.610 -8.990 -0.378 1.00 0.43 C ATOM 1517 C ASP A 98 -7.302 -8.429 0.179 1.00 0.36 C ATOM 1518 O ASP A 98 -7.320 -7.648 1.134 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.872 -8.430 -1.783 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.187 -9.232 -2.888 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -6.960 -9.433 -2.821 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -8.877 -9.652 -3.842 1.00 1.60 O ATOM 0 H ASP A 98 -9.446 -7.930 1.217 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.542 -10.075 -0.454 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.946 -8.415 -1.967 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.527 -7.397 -1.826 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.184 -8.819 -0.406 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.889 -8.335 0.029 1.00 0.30 C ATOM 1529 C CYS A 99 -3.933 -8.270 -1.142 1.00 0.32 C ATOM 1530 O CYS A 99 -4.058 -9.029 -2.104 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.314 -9.227 1.128 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.229 -10.985 0.692 1.00 1.19 S ATOM 0 H CYS A 99 -6.149 -9.473 -1.188 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.020 -7.332 0.436 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.312 -8.877 1.377 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -4.922 -9.116 2.026 1.00 0.34 H new ATOM 0 HG CYS A 99 -3.727 -11.655 1.686 1.00 1.19 H new ATOM 1538 N SER A 100 -2.987 -7.358 -1.074 1.00 0.27 N ATOM 1539 CA SER A 100 -2.014 -7.242 -2.145 1.00 0.30 C ATOM 1540 C SER A 100 -0.593 -7.408 -1.623 1.00 0.31 C ATOM 1541 O SER A 100 -0.238 -6.883 -0.567 1.00 0.42 O ATOM 1542 CB SER A 100 -2.159 -5.907 -2.875 1.00 0.38 C ATOM 1543 OG SER A 100 -1.671 -4.835 -2.099 1.00 0.84 O ATOM 0 H SER A 100 -2.869 -6.697 -0.306 1.00 0.27 H new ATOM 0 HA SER A 100 -2.211 -8.046 -2.854 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.618 -5.948 -3.821 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.208 -5.735 -3.115 1.00 0.38 H new ATOM 0 HG SER A 100 -0.696 -4.785 -2.186 1.00 0.84 H new ATOM 1549 N ASN A 101 0.201 -8.156 -2.367 1.00 0.34 N ATOM 1550 CA ASN A 101 1.608 -8.355 -2.058 1.00 0.37 C ATOM 1551 C ASN A 101 2.461 -7.654 -3.097 1.00 0.42 C ATOM 1552 O ASN A 101 2.303 -7.902 -4.297 1.00 0.65 O ATOM 1553 CB ASN A 101 1.926 -9.853 -2.065 1.00 0.60 C ATOM 1554 CG ASN A 101 3.399 -10.159 -2.285 1.00 0.97 C ATOM 1555 OD1 ASN A 101 4.156 -10.349 -1.336 1.00 1.58 O ATOM 1556 ND2 ASN A 101 3.822 -10.161 -3.549 1.00 1.05 N ATOM 0 H ASN A 101 -0.111 -8.645 -3.206 1.00 0.34 H new ATOM 0 HA ASN A 101 1.823 -7.941 -1.073 1.00 0.37 H new ATOM 0 HB2 ASN A 101 1.610 -10.288 -1.117 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.342 -10.337 -2.848 1.00 0.60 H new ATOM 0 HD21 ASN A 101 4.807 -10.325 -3.757 1.00 1.05 H new ATOM 0 HD22 ASN A 101 3.161 -9.999 -4.308 1.00 1.05 H new ATOM 1563 N PHE A 102 3.339 -6.768 -2.665 1.00 0.31 N ATOM 1564 CA PHE A 102 4.265 -6.159 -3.584 1.00 0.38 C ATOM 1565 C PHE A 102 5.599 -5.915 -2.909 1.00 0.30 C ATOM 1566 O PHE A 102 5.665 -5.386 -1.795 1.00 0.37 O ATOM 1567 CB PHE A 102 3.687 -4.891 -4.199 1.00 0.57 C ATOM 1568 CG PHE A 102 3.141 -3.892 -3.228 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.937 -4.118 -2.585 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.821 -2.717 -2.974 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.427 -3.192 -1.708 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.310 -1.786 -2.102 1.00 0.84 C ATOM 1573 CZ PHE A 102 2.115 -2.024 -1.465 1.00 0.86 C ATOM 0 H PHE A 102 3.426 -6.461 -1.696 1.00 0.31 H new ATOM 0 HA PHE A 102 4.437 -6.851 -4.409 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.465 -4.408 -4.790 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.891 -5.173 -4.888 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.393 -5.031 -2.774 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.764 -2.528 -3.466 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.487 -3.380 -1.210 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.847 -0.867 -1.917 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.716 -1.296 -0.775 1.00 0.86 H new ATOM 1583 N ASN A 103 6.655 -6.329 -3.573 1.00 0.24 N ATOM 1584 CA ASN A 103 7.970 -6.261 -3.018 1.00 0.25 C ATOM 1585 C ASN A 103 8.794 -5.168 -3.637 1.00 0.28 C ATOM 1586 O ASN A 103 8.794 -4.946 -4.839 1.00 0.49 O ATOM 1587 CB ASN A 103 8.713 -7.580 -3.178 1.00 0.33 C ATOM 1588 CG ASN A 103 8.726 -8.140 -4.576 1.00 1.08 C ATOM 1589 OD1 ASN A 103 9.555 -7.764 -5.407 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.859 -9.092 -4.824 1.00 1.25 N ATOM 0 H ASN A 103 6.616 -6.721 -4.514 1.00 0.24 H new ATOM 0 HA ASN A 103 7.834 -6.043 -1.959 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.743 -7.441 -2.849 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.262 -8.316 -2.512 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.854 -9.552 -5.734 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.190 -9.372 -4.107 1.00 1.25 H new ATOM 1597 N LEU A 104 9.525 -4.519 -2.786 1.00 0.23 N ATOM 1598 CA LEU A 104 10.497 -3.530 -3.223 1.00 0.24 C ATOM 1599 C LEU A 104 11.885 -4.094 -3.030 1.00 0.25 C ATOM 1600 O LEU A 104 12.377 -4.198 -1.914 1.00 0.37 O ATOM 1601 CB LEU A 104 10.368 -2.180 -2.486 1.00 0.27 C ATOM 1602 CG LEU A 104 11.672 -1.431 -2.317 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.678 -0.195 -3.188 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.964 -1.087 -0.861 1.00 0.30 C ATOM 0 H LEU A 104 9.477 -4.648 -1.775 1.00 0.23 H new ATOM 0 HA LEU A 104 10.303 -3.322 -4.275 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.668 -1.547 -3.032 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.935 -2.358 -1.501 1.00 0.27 H new ATOM 0 HG LEU A 104 12.476 -2.092 -2.640 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.621 0.337 -3.059 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.565 -0.485 -4.233 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.852 0.456 -2.901 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.911 -0.551 -0.797 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.164 -0.460 -0.468 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.026 -2.004 -0.276 1.00 0.30 H new ATOM 1616 N THR A 105 12.514 -4.477 -4.104 1.00 0.23 N ATOM 1617 CA THR A 105 13.838 -5.013 -4.002 1.00 0.24 C ATOM 1618 C THR A 105 14.816 -3.870 -4.050 1.00 0.21 C ATOM 1619 O THR A 105 15.139 -3.360 -5.124 1.00 0.22 O ATOM 1620 CB THR A 105 14.152 -6.001 -5.130 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.041 -6.889 -5.326 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.401 -6.802 -4.795 1.00 0.32 C ATOM 0 H THR A 105 12.136 -4.429 -5.050 1.00 0.23 H new ATOM 0 HA THR A 105 13.916 -5.560 -3.063 1.00 0.24 H new ATOM 0 HB THR A 105 14.329 -5.441 -6.048 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.248 -7.517 -6.050 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.613 -7.500 -5.604 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.245 -6.124 -4.670 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.241 -7.356 -3.870 1.00 0.32 H new ATOM 1630 N VAL A 106 15.233 -3.435 -2.883 1.00 0.23 N ATOM 1631 CA VAL A 106 16.214 -2.412 -2.783 1.00 0.23 C ATOM 1632 C VAL A 106 17.555 -3.019 -3.111 1.00 0.25 C ATOM 1633 O VAL A 106 18.082 -3.887 -2.417 1.00 0.28 O ATOM 1634 CB VAL A 106 16.238 -1.731 -1.402 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.327 -2.751 -0.295 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.353 -0.700 -1.351 1.00 0.33 C ATOM 0 H VAL A 106 14.895 -3.787 -1.987 1.00 0.23 H new ATOM 0 HA VAL A 106 15.965 -1.621 -3.491 1.00 0.23 H new ATOM 0 HB VAL A 106 15.299 -1.199 -1.246 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.342 -2.242 0.669 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.463 -3.414 -0.341 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.240 -3.335 -0.411 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.363 -0.223 -0.371 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.311 -1.191 -1.526 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.186 0.054 -2.120 1.00 0.33 H new ATOM 1646 N HIS A 107 18.045 -2.574 -4.217 1.00 0.26 N ATOM 1647 CA HIS A 107 19.291 -3.029 -4.760 1.00 0.31 C ATOM 1648 C HIS A 107 20.398 -2.430 -3.953 1.00 0.34 C ATOM 1649 O HIS A 107 20.803 -1.288 -4.151 1.00 0.36 O ATOM 1650 CB HIS A 107 19.436 -2.631 -6.238 1.00 0.36 C ATOM 1651 CG HIS A 107 18.603 -3.440 -7.191 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.973 -3.649 -8.499 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.421 -4.085 -7.034 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.063 -4.381 -9.106 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.108 -4.663 -8.242 1.00 0.53 N ATOM 0 H HIS A 107 17.583 -1.866 -4.787 1.00 0.26 H new ATOM 0 HA HIS A 107 19.330 -4.117 -4.712 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.168 -1.580 -6.345 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.484 -2.724 -6.524 1.00 0.36 H new ATOM 0 HD2 HIS A 107 16.834 -4.136 -6.129 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.094 -4.697 -10.138 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.275 -5.218 -8.437 1.00 0.53 H new ATOM 1664 N GLU A 108 20.840 -3.217 -3.016 1.00 0.45 N ATOM 1665 CA GLU A 108 21.990 -2.885 -2.217 1.00 0.56 C ATOM 1666 C GLU A 108 23.235 -3.119 -3.057 1.00 0.71 C ATOM 1667 O GLU A 108 23.727 -4.243 -3.169 1.00 1.33 O ATOM 1668 CB GLU A 108 21.988 -3.718 -0.926 1.00 0.71 C ATOM 1669 CG GLU A 108 23.022 -3.289 0.103 1.00 0.87 C ATOM 1670 CD GLU A 108 24.303 -4.087 0.013 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.289 -5.281 0.384 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.327 -3.524 -0.414 1.00 1.67 O ATOM 0 H GLU A 108 20.413 -4.113 -2.781 1.00 0.45 H new ATOM 0 HA GLU A 108 21.969 -1.838 -1.915 1.00 0.56 H new ATOM 0 HB2 GLU A 108 20.998 -3.661 -0.473 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.161 -4.763 -1.183 1.00 0.71 H new ATOM 0 HG2 GLU A 108 23.248 -2.231 -0.034 1.00 0.87 H new ATOM 0 HG3 GLU A 108 22.601 -3.398 1.102 1.00 0.87 H new