USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot 180:sc= 0.0284 USER MOD Set 1.2: A 23 HIS :FLIP no HE2:sc= -7.36! C(o=-12!,f=-9.7!) USER MOD Set 1.3: A 55 SER OG : rot 92:sc= -2.4! USER MOD Set 2.1: A 5 CYS SG : rot 102:sc= 2.83 USER MOD Set 2.2: A 10 CYS SG : rot 177:sc= -0.256! USER MOD Set 2.3: A 12 ASN : amide:sc= -3.09! C(o=-7.1!,f=-10!) USER MOD Set 2.4: A 54 CYS SG : rot -82:sc= -3.9! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -2.71! C(o=-7.1!,f=-22!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 63:sc= 0.457 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= 1.22 (180deg=0.752) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -1.18! (180deg=-1.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.133 USER MOD Single : A 33 CYS SG : rot 18:sc= -2.41! USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -0.0619 (180deg=-0.322) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.5!) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= -0.216 (180deg=-0.819) USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.0528 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 1.12 (180deg=1.02) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -63:sc= -4.55! USER MOD Single : A 52 SER OG : rot 180:sc= 0.01 USER MOD Single : A 59 THR OG1 : rot -86:sc= 0.0692 USER MOD Single : A 62 SER OG : rot -149:sc= -2.33! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -126:sc= -4.02! USER MOD Single : A 68 ASN : amide:sc= -0.0318 K(o=-0.032,f=-3.2!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.175) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.103 F(o=-0.82,f=-0.1) USER MOD Single : A 79 THR OG1 : rot -27:sc= 0.0638 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -8.010 -4.052 -5.866 1.00 10.00 N ATOM 37 CA GLN A 3 -9.419 -3.739 -5.905 1.00 10.00 C ATOM 38 C GLN A 3 -9.589 -2.225 -5.970 1.00 10.00 C ATOM 39 O GLN A 3 -10.163 -1.703 -6.927 1.00 10.00 O ATOM 40 CB GLN A 3 -10.126 -4.334 -4.675 1.00 10.00 C ATOM 41 CG GLN A 3 -10.039 -5.858 -4.617 1.00 10.00 C ATOM 42 CD GLN A 3 -10.471 -6.460 -3.283 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.758 -7.276 -2.696 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.651 -6.094 -2.809 1.00 10.00 N ATOM 0 HA GLN A 3 -9.877 -4.179 -6.791 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.684 -3.915 -3.771 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -11.174 -4.035 -4.685 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.660 -6.276 -5.409 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -9.012 -6.160 -4.823 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.217 -5.416 -3.319 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.994 -6.490 -1.934 1.00 10.00 H new ATOM 53 N SER A 4 -9.070 -1.534 -4.957 1.00 10.00 N ATOM 54 CA SER A 4 -9.133 -0.084 -4.903 1.00 10.00 C ATOM 55 C SER A 4 -8.474 0.438 -3.623 1.00 10.00 C ATOM 56 O SER A 4 -8.092 -0.342 -2.738 1.00 10.00 O ATOM 57 CB SER A 4 -10.611 0.331 -4.969 1.00 10.00 C ATOM 58 OG SER A 4 -10.858 1.608 -4.413 1.00 10.00 O ATOM 0 H SER A 4 -8.599 -1.963 -4.160 1.00 10.00 H new ATOM 0 HA SER A 4 -8.590 0.347 -5.744 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.937 0.326 -6.009 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.213 -0.410 -4.443 1.00 10.00 H new ATOM 0 HG SER A 4 -10.379 2.288 -4.931 1.00 10.00 H new ATOM 64 N CYS A 5 -8.321 1.758 -3.564 1.00 10.00 N ATOM 65 CA CYS A 5 -7.659 2.423 -2.458 1.00 10.00 C ATOM 66 C CYS A 5 -8.686 2.602 -1.347 1.00 10.00 C ATOM 67 O CYS A 5 -9.890 2.450 -1.527 1.00 10.00 O ATOM 68 CB CYS A 5 -7.122 3.766 -2.956 1.00 10.00 C ATOM 69 SG CYS A 5 -6.935 3.824 -4.753 1.00 10.00 S ATOM 0 H CYS A 5 -8.656 2.394 -4.287 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.820 1.845 -2.072 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.797 4.561 -2.640 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.157 3.962 -2.489 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.923 4.492 -5.271 1.00 10.00 H new ATOM 74 N SER A 6 -8.128 2.978 -0.191 1.00 10.00 N ATOM 75 CA SER A 6 -8.857 3.223 1.034 1.00 10.00 C ATOM 76 C SER A 6 -9.628 4.546 0.979 1.00 10.00 C ATOM 77 O SER A 6 -10.281 4.931 1.945 1.00 10.00 O ATOM 78 CB SER A 6 -7.843 3.210 2.189 1.00 10.00 C ATOM 79 OG SER A 6 -8.473 3.145 3.454 1.00 10.00 O ATOM 0 H SER A 6 -7.123 3.122 -0.091 1.00 10.00 H new ATOM 0 HA SER A 6 -9.606 2.445 1.183 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.175 2.357 2.074 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.226 4.107 2.138 1.00 10.00 H new ATOM 0 HG SER A 6 -7.792 3.137 4.159 1.00 10.00 H new ATOM 85 N ALA A 7 -9.507 5.247 -0.148 1.00 10.00 N ATOM 86 CA ALA A 7 -10.199 6.522 -0.370 1.00 10.00 C ATOM 87 C ALA A 7 -11.733 6.409 -0.289 1.00 10.00 C ATOM 88 O ALA A 7 -12.285 5.593 0.444 1.00 10.00 O ATOM 89 CB ALA A 7 -9.788 7.105 -1.710 1.00 10.00 C ATOM 0 H ALA A 7 -8.928 4.950 -0.933 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.897 7.187 0.439 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.305 8.051 -1.869 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.711 7.274 -1.718 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.052 6.409 -2.506 1.00 10.00 H new ATOM 95 N TYR A 8 -12.428 7.224 -1.074 1.00 10.00 N ATOM 96 CA TYR A 8 -13.882 7.226 -1.053 1.00 10.00 C ATOM 97 C TYR A 8 -14.409 6.690 -2.381 1.00 10.00 C ATOM 98 O TYR A 8 -14.911 7.440 -3.217 1.00 10.00 O ATOM 99 CB TYR A 8 -14.422 8.647 -0.779 1.00 10.00 C ATOM 100 CG TYR A 8 -15.923 8.744 -0.506 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.817 7.768 -0.945 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.445 9.831 0.185 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.173 7.873 -0.706 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.804 9.941 0.431 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.662 8.960 -0.017 1.00 10.00 C ATOM 106 OH TYR A 8 -20.014 9.062 0.229 1.00 10.00 O ATOM 0 H TYR A 8 -12.010 7.886 -1.728 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.229 6.580 -0.247 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.888 9.060 0.077 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.186 9.277 -1.636 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.441 6.911 -1.484 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.779 10.605 0.537 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.847 7.106 -1.058 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.190 10.793 0.972 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.195 9.887 0.727 1.00 10.00 H new ATOM 116 N GLY A 9 -14.235 5.398 -2.590 1.00 10.00 N ATOM 117 CA GLY A 9 -14.743 4.778 -3.795 1.00 10.00 C ATOM 118 C GLY A 9 -13.845 4.952 -5.006 1.00 10.00 C ATOM 119 O GLY A 9 -14.337 5.048 -6.129 1.00 10.00 O ATOM 0 H GLY A 9 -13.753 4.767 -1.950 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.885 3.713 -3.611 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.724 5.196 -4.020 1.00 10.00 H new ATOM 123 N CYS A 10 -12.537 4.973 -4.793 1.00 10.00 N ATOM 124 CA CYS A 10 -11.584 5.140 -5.883 1.00 10.00 C ATOM 125 C CYS A 10 -11.259 3.817 -6.554 1.00 10.00 C ATOM 126 O CYS A 10 -10.197 3.234 -6.319 1.00 10.00 O ATOM 127 CB CYS A 10 -10.303 5.815 -5.387 1.00 10.00 C ATOM 128 SG CYS A 10 -8.976 5.832 -6.606 1.00 10.00 S ATOM 0 H CYS A 10 -12.109 4.876 -3.872 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.053 5.783 -6.627 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.532 6.841 -5.097 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.955 5.301 -4.491 1.00 10.00 H new ATOM 0 HG CYS A 10 -7.957 6.482 -6.129 1.00 10.00 H new ATOM 133 N LYS A 11 -12.207 3.309 -7.329 1.00 10.00 N ATOM 134 CA LYS A 11 -12.004 2.074 -8.076 1.00 10.00 C ATOM 135 C LYS A 11 -10.989 2.329 -9.182 1.00 10.00 C ATOM 136 O LYS A 11 -11.312 2.166 -10.356 1.00 10.00 O ATOM 137 CB LYS A 11 -13.318 1.586 -8.677 1.00 10.00 C ATOM 138 CG LYS A 11 -14.202 0.817 -7.708 1.00 10.00 C ATOM 139 CD LYS A 11 -13.570 -0.511 -7.326 1.00 10.00 C ATOM 140 CE LYS A 11 -14.513 -1.352 -6.494 1.00 10.00 C ATOM 141 NZ LYS A 11 -14.844 -2.639 -7.158 1.00 10.00 N ATOM 0 H LYS A 11 -13.126 3.733 -7.457 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.633 1.303 -7.401 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.873 2.445 -9.053 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.098 0.949 -9.534 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.370 1.414 -6.812 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.177 0.642 -8.162 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -13.293 -1.057 -8.228 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -12.651 -0.331 -6.767 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.060 -1.551 -5.523 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -15.430 -0.793 -6.309 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.492 -3.184 -6.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -15.300 -2.450 -8.074 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -13.972 -3.185 -7.311 1.00 10.00 H new ATOM 155 N ASN A 12 -9.774 2.718 -8.853 1.00 10.00 N ATOM 156 CA ASN A 12 -8.781 2.978 -9.885 1.00 10.00 C ATOM 157 C ASN A 12 -7.937 1.748 -10.169 1.00 10.00 C ATOM 158 O ASN A 12 -6.747 1.877 -10.455 1.00 10.00 O ATOM 159 CB ASN A 12 -7.885 4.144 -9.514 1.00 10.00 C ATOM 160 CG ASN A 12 -8.339 5.440 -10.160 1.00 10.00 C ATOM 161 OD1 ASN A 12 -9.082 5.436 -11.139 1.00 10.00 O ATOM 162 ND2 ASN A 12 -7.898 6.559 -9.621 1.00 10.00 N ATOM 0 H ASN A 12 -9.450 2.860 -7.896 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.330 3.238 -10.790 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.876 4.263 -8.431 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.862 3.926 -9.820 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -8.172 7.458 -10.016 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -7.282 6.526 -8.808 1.00 10.00 H new ATOM 169 N ARG A 13 -8.567 0.580 -9.992 1.00 10.00 N ATOM 170 CA ARG A 13 -7.960 -0.757 -10.216 1.00 10.00 C ATOM 171 C ARG A 13 -6.786 -0.664 -11.192 1.00 10.00 C ATOM 172 O ARG A 13 -6.934 -0.053 -12.249 1.00 10.00 O ATOM 173 CB ARG A 13 -9.039 -1.697 -10.783 1.00 10.00 C ATOM 174 CG ARG A 13 -8.928 -3.172 -10.394 1.00 10.00 C ATOM 175 CD ARG A 13 -7.575 -3.765 -10.758 1.00 10.00 C ATOM 176 NE ARG A 13 -7.689 -5.120 -11.301 1.00 10.00 N ATOM 177 CZ ARG A 13 -7.070 -5.549 -12.405 1.00 10.00 C ATOM 178 NH1 ARG A 13 -6.342 -4.719 -13.146 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.199 -6.814 -12.778 1.00 10.00 N ATOM 0 H ARG A 13 -9.537 0.527 -9.682 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.582 -1.144 -9.270 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -10.014 -1.331 -10.461 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -9.015 -1.628 -11.871 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.091 -3.276 -9.321 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.716 -3.737 -10.892 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.085 -3.123 -11.490 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.939 -3.783 -9.873 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.282 -5.783 -10.802 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -6.250 -3.740 -12.874 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.875 -5.061 -13.986 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.768 -7.454 -12.224 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -6.729 -7.148 -13.620 1.00 10.00 H new ATOM 193 N TYR A 14 -5.651 -1.310 -10.851 1.00 10.00 N ATOM 194 CA TYR A 14 -4.427 -1.252 -11.668 1.00 10.00 C ATOM 195 C TYR A 14 -4.752 -1.258 -13.149 1.00 10.00 C ATOM 196 O TYR A 14 -5.225 -2.244 -13.707 1.00 10.00 O ATOM 197 CB TYR A 14 -3.467 -2.402 -11.345 1.00 10.00 C ATOM 198 CG TYR A 14 -2.036 -1.943 -11.094 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.365 -1.093 -11.983 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.365 -2.342 -9.945 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.072 -0.666 -11.716 1.00 10.00 C ATOM 202 CE2 TYR A 14 -0.076 -1.921 -9.683 1.00 10.00 C ATOM 203 CZ TYR A 14 0.563 -1.086 -10.567 1.00 10.00 C ATOM 204 OH TYR A 14 1.846 -0.667 -10.296 1.00 10.00 O ATOM 0 H TYR A 14 -5.560 -1.880 -10.010 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.932 -0.314 -11.418 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.830 -2.932 -10.465 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.473 -3.113 -12.171 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.860 -0.767 -12.886 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.861 -2.995 -9.242 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.435 -0.007 -12.406 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.428 -2.247 -8.785 1.00 10.00 H new ATOM 0 HH TYR A 14 2.144 -1.054 -9.447 1.00 10.00 H new ATOM 214 N ASP A 15 -4.510 -0.122 -13.749 1.00 10.00 N ATOM 215 CA ASP A 15 -4.708 0.085 -15.161 1.00 10.00 C ATOM 216 C ASP A 15 -3.480 0.806 -15.663 1.00 10.00 C ATOM 217 O ASP A 15 -3.238 1.959 -15.326 1.00 10.00 O ATOM 218 CB ASP A 15 -5.972 0.904 -15.393 1.00 10.00 C ATOM 219 CG ASP A 15 -6.024 1.536 -16.761 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.710 0.847 -17.748 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.395 2.730 -16.848 1.00 10.00 O ATOM 0 H ASP A 15 -4.162 0.703 -13.260 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.839 -0.856 -15.696 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.843 0.262 -15.263 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -6.036 1.685 -14.636 1.00 10.00 H new ATOM 226 N LYS A 16 -2.708 0.103 -16.467 1.00 10.00 N ATOM 227 CA LYS A 16 -1.478 0.621 -17.040 1.00 10.00 C ATOM 228 C LYS A 16 -1.740 1.797 -17.979 1.00 10.00 C ATOM 229 O LYS A 16 -0.837 2.564 -18.315 1.00 10.00 O ATOM 230 CB LYS A 16 -0.816 -0.509 -17.809 1.00 10.00 C ATOM 231 CG LYS A 16 -1.125 -0.466 -19.302 1.00 10.00 C ATOM 232 CD LYS A 16 -1.471 -1.836 -19.853 1.00 10.00 C ATOM 233 CE LYS A 16 -2.023 -1.750 -21.271 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.490 -1.497 -21.296 1.00 10.00 N ATOM 0 H LYS A 16 -2.918 -0.856 -16.745 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.836 0.986 -16.239 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.263 -0.458 -17.664 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.148 -1.464 -17.401 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.956 0.216 -19.480 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.264 -0.067 -19.839 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.582 -2.466 -19.846 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.205 -2.314 -19.205 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.511 -0.953 -21.809 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.809 -2.680 -21.798 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.954 -2.205 -21.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.870 -1.563 -20.330 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.672 -0.546 -21.675 1.00 10.00 H new ATOM 248 N ASP A 17 -2.989 1.927 -18.383 1.00 10.00 N ATOM 249 CA ASP A 17 -3.401 3.001 -19.273 1.00 10.00 C ATOM 250 C ASP A 17 -3.495 4.287 -18.472 1.00 10.00 C ATOM 251 O ASP A 17 -3.395 5.390 -19.007 1.00 10.00 O ATOM 252 CB ASP A 17 -4.748 2.695 -19.908 1.00 10.00 C ATOM 253 CG ASP A 17 -4.630 2.070 -21.287 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.897 1.075 -21.443 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.279 2.575 -22.230 1.00 10.00 O ATOM 0 H ASP A 17 -3.743 1.298 -18.108 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.666 3.103 -20.071 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.305 2.021 -19.257 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.326 3.616 -19.982 1.00 10.00 H new ATOM 260 N LYS A 18 -3.688 4.118 -17.174 1.00 10.00 N ATOM 261 CA LYS A 18 -3.778 5.233 -16.244 1.00 10.00 C ATOM 262 C LYS A 18 -2.428 5.365 -15.536 1.00 10.00 C ATOM 263 O LYS A 18 -1.764 4.363 -15.280 1.00 10.00 O ATOM 264 CB LYS A 18 -4.941 5.023 -15.260 1.00 10.00 C ATOM 265 CG LYS A 18 -4.539 4.614 -13.848 1.00 10.00 C ATOM 266 CD LYS A 18 -5.702 3.999 -13.066 1.00 10.00 C ATOM 267 CE LYS A 18 -7.062 4.506 -13.535 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.664 3.637 -14.585 1.00 10.00 N ATOM 0 H LYS A 18 -3.787 3.203 -16.734 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.992 6.163 -16.771 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.516 5.947 -15.202 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.604 4.259 -15.666 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.720 3.897 -13.900 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.165 5.487 -13.312 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.669 2.914 -13.167 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.581 4.224 -12.006 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.739 4.562 -12.682 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.954 5.519 -13.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.446 4.143 -15.048 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.941 3.396 -15.292 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.026 2.765 -14.149 1.00 10.00 H new ATOM 282 N PRO A 19 -1.985 6.586 -15.208 1.00 10.00 N ATOM 283 CA PRO A 19 -0.674 6.789 -14.608 1.00 10.00 C ATOM 284 C PRO A 19 -0.616 6.753 -13.080 1.00 10.00 C ATOM 285 O PRO A 19 -0.509 7.797 -12.436 1.00 10.00 O ATOM 286 CB PRO A 19 -0.307 8.183 -15.118 1.00 10.00 C ATOM 287 CG PRO A 19 -1.603 8.894 -15.377 1.00 10.00 C ATOM 288 CD PRO A 19 -2.702 7.857 -15.388 1.00 10.00 C ATOM 0 HA PRO A 19 0.000 5.978 -14.883 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.291 8.721 -14.382 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.290 8.119 -16.028 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.790 9.641 -14.606 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.566 9.422 -16.330 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.421 8.028 -14.587 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.258 7.873 -16.325 1.00 10.00 H new ATOM 296 N VAL A 20 -0.679 5.564 -12.492 1.00 10.00 N ATOM 297 CA VAL A 20 -0.589 5.448 -11.037 1.00 10.00 C ATOM 298 C VAL A 20 0.135 4.158 -10.625 1.00 10.00 C ATOM 299 O VAL A 20 0.056 3.134 -11.304 1.00 10.00 O ATOM 300 CB VAL A 20 -1.980 5.502 -10.310 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.903 6.587 -10.863 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.677 4.155 -10.336 1.00 10.00 C ATOM 0 H VAL A 20 -0.790 4.679 -12.988 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.018 6.320 -10.720 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.761 5.763 -9.275 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.848 6.573 -10.319 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.430 7.562 -10.744 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.090 6.401 -11.921 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.636 4.232 -9.824 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.841 3.850 -11.370 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.055 3.414 -9.834 1.00 10.00 H new ATOM 312 N SER A 21 0.871 4.250 -9.521 1.00 10.00 N ATOM 313 CA SER A 21 1.597 3.122 -8.944 1.00 10.00 C ATOM 314 C SER A 21 0.832 2.647 -7.712 1.00 10.00 C ATOM 315 O SER A 21 -0.071 3.357 -7.250 1.00 10.00 O ATOM 316 CB SER A 21 3.018 3.558 -8.582 1.00 10.00 C ATOM 317 OG SER A 21 3.045 4.927 -8.190 1.00 10.00 O ATOM 0 H SER A 21 0.981 5.118 -8.997 1.00 10.00 H new ATOM 0 HA SER A 21 1.674 2.301 -9.657 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.398 2.936 -7.772 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.678 3.407 -9.436 1.00 10.00 H new ATOM 0 HG SER A 21 3.963 5.184 -7.961 1.00 10.00 H new ATOM 323 N PHE A 22 1.173 1.485 -7.147 1.00 10.00 N ATOM 324 CA PHE A 22 0.397 1.001 -6.014 1.00 10.00 C ATOM 325 C PHE A 22 1.148 0.768 -4.687 1.00 10.00 C ATOM 326 O PHE A 22 1.790 -0.261 -4.505 1.00 10.00 O ATOM 327 CB PHE A 22 -0.393 -0.248 -6.410 1.00 10.00 C ATOM 328 CG PHE A 22 -1.852 0.034 -6.668 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.709 0.275 -5.609 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.368 0.058 -7.959 1.00 10.00 C ATOM 331 CE1 PHE A 22 -4.049 0.534 -5.824 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.712 0.315 -8.179 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.552 0.553 -7.109 1.00 10.00 C ATOM 0 H PHE A 22 1.946 0.889 -7.442 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.265 1.836 -5.782 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.051 -0.683 -7.305 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.307 -0.992 -5.618 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.325 0.260 -4.600 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.715 -0.126 -8.799 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.703 0.722 -4.986 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.102 0.329 -9.186 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.600 0.753 -7.277 1.00 10.00 H new ATOM 343 N HIS A 23 1.033 1.681 -3.751 1.00 10.00 N ATOM 344 CA HIS A 23 1.879 1.651 -2.539 1.00 10.00 C ATOM 345 C HIS A 23 1.172 1.246 -1.285 1.00 10.00 C ATOM 346 O HIS A 23 -0.016 1.335 -1.188 1.00 10.00 O ATOM 347 CB HIS A 23 2.396 3.048 -2.254 1.00 10.00 C ATOM 348 CG HIS A 23 2.050 4.024 -3.302 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.736 4.524 -4.352 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.781 4.496 -3.403 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.845 5.282 -5.075 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.670 5.232 -4.459 1.00 10.00 N flip ATOM 0 H HIS A 23 0.372 2.457 -3.787 1.00 10.00 H new ATOM 0 HA HIS A 23 2.651 0.916 -2.766 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.992 3.390 -1.301 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.480 3.011 -2.145 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.721 4.370 -4.567 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.016 4.287 -2.705 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.063 5.823 -5.984 1.00 10.00 H new ATOM 361 N LYS A 24 1.947 0.873 -0.295 1.00 10.00 N ATOM 362 CA LYS A 24 1.354 0.500 0.969 1.00 10.00 C ATOM 363 C LYS A 24 1.323 1.674 1.948 1.00 10.00 C ATOM 364 O LYS A 24 1.985 2.681 1.697 1.00 10.00 O ATOM 365 CB LYS A 24 2.121 -0.661 1.589 1.00 10.00 C ATOM 366 CG LYS A 24 1.518 -2.016 1.273 1.00 10.00 C ATOM 367 CD LYS A 24 2.535 -3.132 1.431 1.00 10.00 C ATOM 368 CE LYS A 24 3.061 -3.228 2.855 1.00 10.00 C ATOM 369 NZ LYS A 24 4.429 -3.812 2.890 1.00 10.00 N ATOM 0 H LYS A 24 2.965 0.820 -0.335 1.00 10.00 H new ATOM 0 HA LYS A 24 0.326 0.197 0.770 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.151 -0.638 1.233 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.154 -0.529 2.670 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.670 -2.200 1.933 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.134 -2.015 0.253 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.079 -4.081 1.149 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.367 -2.963 0.748 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.075 -2.236 3.307 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.387 -3.841 3.453 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.759 -3.864 3.875 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.409 -4.768 2.481 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.076 -3.213 2.339 1.00 10.00 H new ATOM 383 N PHE A 25 0.560 1.582 3.026 1.00 10.00 N ATOM 384 CA PHE A 25 0.505 2.674 4.003 1.00 10.00 C ATOM 385 C PHE A 25 1.900 2.951 4.570 1.00 10.00 C ATOM 386 O PHE A 25 2.775 2.077 4.537 1.00 10.00 O ATOM 387 CB PHE A 25 -0.400 2.295 5.168 1.00 10.00 C ATOM 388 CG PHE A 25 -1.772 2.928 5.179 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.708 2.611 4.219 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.132 3.803 6.187 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.979 3.163 4.253 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.396 4.353 6.234 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.322 4.034 5.264 1.00 10.00 C ATOM 0 H PHE A 25 -0.025 0.777 3.251 1.00 10.00 H new ATOM 0 HA PHE A 25 0.120 3.557 3.493 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.522 1.212 5.169 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.107 2.559 6.096 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.448 1.923 3.429 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.412 4.060 6.950 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.699 2.911 3.489 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.660 5.033 7.030 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.312 4.465 5.296 1.00 10.00 H new ATOM 403 N PRO A 26 2.131 4.157 5.112 1.00 10.00 N ATOM 404 CA PRO A 26 3.412 4.509 5.732 1.00 10.00 C ATOM 405 C PRO A 26 3.448 3.914 7.131 1.00 10.00 C ATOM 406 O PRO A 26 3.415 4.607 8.146 1.00 10.00 O ATOM 407 CB PRO A 26 3.298 6.024 5.845 1.00 10.00 C ATOM 408 CG PRO A 26 1.858 6.224 6.133 1.00 10.00 C ATOM 409 CD PRO A 26 1.167 5.278 5.198 1.00 10.00 C ATOM 0 HA PRO A 26 4.292 4.164 5.189 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.929 6.419 6.642 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.599 6.522 4.924 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.624 5.999 7.174 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.554 7.255 5.954 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.201 4.955 5.587 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.983 5.731 4.224 1.00 10.00 H new ATOM 417 N LEU A 27 3.511 2.584 7.129 1.00 10.00 N ATOM 418 CA LEU A 27 3.494 1.759 8.319 1.00 10.00 C ATOM 419 C LEU A 27 4.470 2.164 9.391 1.00 10.00 C ATOM 420 O LEU A 27 4.238 2.096 10.595 1.00 10.00 O ATOM 421 CB LEU A 27 3.701 0.292 7.950 1.00 10.00 C ATOM 422 CG LEU A 27 2.413 -0.459 7.614 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.683 -1.944 7.446 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.380 -0.221 8.702 1.00 10.00 C ATOM 0 H LEU A 27 3.577 2.041 6.268 1.00 10.00 H new ATOM 0 HA LEU A 27 2.507 1.910 8.755 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.374 0.236 7.095 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.197 -0.213 8.779 1.00 10.00 H new ATOM 0 HG LEU A 27 2.023 -0.081 6.669 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.752 -2.458 7.207 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.398 -2.095 6.638 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.093 -2.346 8.372 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.464 -0.759 8.458 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.767 -0.579 9.656 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.167 0.845 8.774 1.00 10.00 H new ATOM 436 N THR A 28 5.585 2.606 8.834 1.00 10.00 N ATOM 437 CA THR A 28 6.774 3.002 9.547 1.00 10.00 C ATOM 438 C THR A 28 6.773 4.481 9.948 1.00 10.00 C ATOM 439 O THR A 28 7.721 5.001 10.538 1.00 10.00 O ATOM 440 CB THR A 28 7.978 2.730 8.623 1.00 10.00 C ATOM 441 OG1 THR A 28 7.982 3.667 7.532 1.00 10.00 O ATOM 442 CG2 THR A 28 7.902 1.323 8.053 1.00 10.00 C ATOM 0 H THR A 28 5.684 2.701 7.823 1.00 10.00 H new ATOM 0 HA THR A 28 6.823 2.430 10.473 1.00 10.00 H new ATOM 0 HB THR A 28 8.889 2.838 9.211 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.751 3.489 6.951 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.759 1.147 7.403 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.910 0.599 8.868 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.982 1.212 7.479 1.00 10.00 H new ATOM 450 N ARG A 29 5.673 5.136 9.605 1.00 10.00 N ATOM 451 CA ARG A 29 5.408 6.510 9.974 1.00 10.00 C ATOM 452 C ARG A 29 4.007 6.528 10.555 1.00 10.00 C ATOM 453 O ARG A 29 3.147 7.245 10.068 1.00 10.00 O ATOM 454 CB ARG A 29 5.471 7.399 8.726 1.00 10.00 C ATOM 455 CG ARG A 29 6.636 8.372 8.677 1.00 10.00 C ATOM 456 CD ARG A 29 6.354 9.638 9.458 1.00 10.00 C ATOM 457 NE ARG A 29 7.363 9.884 10.485 1.00 10.00 N ATOM 458 CZ ARG A 29 8.604 10.340 10.254 1.00 10.00 C ATOM 459 NH1 ARG A 29 9.028 10.589 9.019 1.00 10.00 N ATOM 460 NH2 ARG A 29 9.432 10.540 11.270 1.00 10.00 N ATOM 0 H ARG A 29 4.928 4.714 9.051 1.00 10.00 H new ATOM 0 HA ARG A 29 6.139 6.884 10.691 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.518 6.758 7.846 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.543 7.966 8.658 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.527 7.890 9.078 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.851 8.627 7.639 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.319 10.486 8.774 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.372 9.565 9.925 1.00 10.00 H new ATOM 0 HE ARG A 29 7.104 9.694 11.453 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.406 10.434 8.225 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.975 10.935 8.865 1.00 10.00 H new ATOM 0 HH21 ARG A 29 9.125 10.347 12.223 1.00 10.00 H new ATOM 0 HH22 ARG A 29 10.376 10.886 11.098 1.00 10.00 H new ATOM 474 N PRO A 30 3.774 5.728 11.612 1.00 10.00 N ATOM 475 CA PRO A 30 2.460 5.551 12.224 1.00 10.00 C ATOM 476 C PRO A 30 1.679 6.834 12.493 1.00 10.00 C ATOM 477 O PRO A 30 0.544 6.957 12.061 1.00 10.00 O ATOM 478 CB PRO A 30 2.745 4.859 13.546 1.00 10.00 C ATOM 479 CG PRO A 30 4.228 4.837 13.697 1.00 10.00 C ATOM 480 CD PRO A 30 4.788 4.945 12.324 1.00 10.00 C ATOM 0 HA PRO A 30 1.827 4.994 11.534 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.278 5.394 14.373 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.339 3.848 13.551 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.568 5.663 14.322 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.556 3.916 14.180 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.757 5.444 12.322 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.933 3.965 11.870 1.00 10.00 H new ATOM 488 N SER A 31 2.259 7.767 13.238 1.00 10.00 N ATOM 489 CA SER A 31 1.578 9.025 13.541 1.00 10.00 C ATOM 490 C SER A 31 1.051 9.647 12.251 1.00 10.00 C ATOM 491 O SER A 31 -0.129 9.988 12.140 1.00 10.00 O ATOM 492 CB SER A 31 2.552 9.969 14.248 1.00 10.00 C ATOM 493 OG SER A 31 3.685 9.251 14.719 1.00 10.00 O ATOM 0 H SER A 31 3.192 7.680 13.642 1.00 10.00 H new ATOM 0 HA SER A 31 0.731 8.841 14.202 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.870 10.754 13.562 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.052 10.459 15.083 1.00 10.00 H new ATOM 0 HG SER A 31 4.300 9.868 15.168 1.00 10.00 H new ATOM 499 N LEU A 32 1.915 9.689 11.253 1.00 10.00 N ATOM 500 CA LEU A 32 1.580 10.247 9.956 1.00 10.00 C ATOM 501 C LEU A 32 0.589 9.313 9.271 1.00 10.00 C ATOM 502 O LEU A 32 -0.339 9.750 8.594 1.00 10.00 O ATOM 503 CB LEU A 32 2.887 10.432 9.159 1.00 10.00 C ATOM 504 CG LEU A 32 2.786 10.952 7.728 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.600 9.805 6.758 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.671 11.963 7.598 1.00 10.00 C ATOM 0 H LEU A 32 2.870 9.337 11.319 1.00 10.00 H new ATOM 0 HA LEU A 32 1.103 11.224 10.037 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.525 11.116 9.718 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.399 9.470 9.129 1.00 10.00 H new ATOM 0 HG LEU A 32 3.720 11.457 7.480 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.530 10.195 5.743 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.451 9.127 6.829 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.685 9.266 7.003 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.620 12.318 6.569 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.724 11.497 7.868 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.864 12.805 8.263 1.00 10.00 H new ATOM 518 N CYS A 33 0.748 8.028 9.543 1.00 10.00 N ATOM 519 CA CYS A 33 -0.105 7.007 8.977 1.00 10.00 C ATOM 520 C CYS A 33 -1.501 7.261 9.487 1.00 10.00 C ATOM 521 O CYS A 33 -2.483 7.108 8.762 1.00 10.00 O ATOM 522 CB CYS A 33 0.365 5.651 9.490 1.00 10.00 C ATOM 523 SG CYS A 33 -0.461 4.223 8.764 1.00 10.00 S ATOM 0 H CYS A 33 1.473 7.668 10.163 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.077 7.022 7.887 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.436 5.563 9.306 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.224 5.621 10.570 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.057 4.579 7.665 1.00 10.00 H new ATOM 529 N LYS A 34 -1.582 7.694 10.722 1.00 10.00 N ATOM 530 CA LYS A 34 -2.824 7.909 11.391 1.00 10.00 C ATOM 531 C LYS A 34 -3.622 9.074 10.837 1.00 10.00 C ATOM 532 O LYS A 34 -4.842 9.088 10.978 1.00 10.00 O ATOM 533 CB LYS A 34 -2.496 8.076 12.870 1.00 10.00 C ATOM 534 CG LYS A 34 -3.461 8.939 13.655 1.00 10.00 C ATOM 535 CD LYS A 34 -2.710 9.958 14.490 1.00 10.00 C ATOM 536 CE LYS A 34 -3.484 10.310 15.747 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.515 9.180 16.711 1.00 10.00 N ATOM 0 H LYS A 34 -0.765 7.908 11.294 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.482 7.055 11.231 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.460 7.089 13.331 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.498 8.505 12.957 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.139 9.450 12.971 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.074 8.312 14.302 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.732 9.561 14.761 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.537 10.859 13.901 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -3.030 11.180 16.221 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.504 10.588 15.480 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.688 9.546 17.669 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -4.276 8.521 16.449 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.603 8.681 16.691 1.00 10.00 H new ATOM 551 N GLU A 35 -3.001 10.055 10.190 1.00 10.00 N ATOM 552 CA GLU A 35 -3.854 11.115 9.673 1.00 10.00 C ATOM 553 C GLU A 35 -4.564 10.598 8.458 1.00 10.00 C ATOM 554 O GLU A 35 -5.633 11.090 8.103 1.00 10.00 O ATOM 555 CB GLU A 35 -3.166 12.417 9.334 1.00 10.00 C ATOM 556 CG GLU A 35 -1.667 12.319 9.150 1.00 10.00 C ATOM 557 CD GLU A 35 -0.972 13.658 9.331 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.432 14.667 8.759 1.00 10.00 O ATOM 559 OE2 GLU A 35 0.040 13.711 10.060 1.00 10.00 O ATOM 0 H GLU A 35 -1.999 10.140 10.021 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.534 11.368 10.487 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.604 12.814 8.418 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.374 13.137 10.125 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.262 11.603 9.865 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.451 11.932 8.154 1.00 10.00 H new ATOM 566 N TRP A 36 -3.996 9.561 7.844 1.00 10.00 N ATOM 567 CA TRP A 36 -4.626 8.970 6.690 1.00 10.00 C ATOM 568 C TRP A 36 -5.993 8.506 7.146 1.00 10.00 C ATOM 569 O TRP A 36 -6.932 8.498 6.356 1.00 10.00 O ATOM 570 CB TRP A 36 -3.813 7.799 6.118 1.00 10.00 C ATOM 571 CG TRP A 36 -2.484 8.201 5.553 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.648 9.172 6.027 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.833 7.633 4.406 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.532 9.265 5.232 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.616 8.325 4.238 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.160 6.613 3.494 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.267 8.034 3.206 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.277 6.331 2.469 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.077 7.039 2.332 1.00 10.00 C ATOM 0 H TRP A 36 -3.117 9.127 8.128 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.696 9.699 5.883 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.654 7.061 6.905 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.396 7.312 5.337 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.837 9.779 6.900 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.234 9.926 5.360 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.083 6.061 3.593 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.195 8.576 3.097 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.517 5.551 1.761 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.591 6.795 1.519 1.00 10.00 H new ATOM 590 N GLU A 37 -6.128 8.212 8.452 1.00 10.00 N ATOM 591 CA GLU A 37 -7.390 7.750 8.986 1.00 10.00 C ATOM 592 C GLU A 37 -8.475 8.761 8.658 1.00 10.00 C ATOM 593 O GLU A 37 -9.561 8.461 8.165 1.00 10.00 O ATOM 594 CB GLU A 37 -7.335 7.475 10.500 1.00 10.00 C ATOM 595 CG GLU A 37 -6.283 6.456 10.910 1.00 10.00 C ATOM 596 CD GLU A 37 -6.635 5.025 10.566 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.568 4.474 11.190 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.944 4.435 9.711 1.00 10.00 O ATOM 0 H GLU A 37 -5.378 8.290 9.139 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.620 6.795 8.514 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.140 8.412 11.021 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.313 7.124 10.830 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.339 6.712 10.428 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.122 6.530 11.986 1.00 10.00 H new ATOM 605 N ALA A 38 -8.068 10.015 8.970 1.00 10.00 N ATOM 606 CA ALA A 38 -8.852 11.228 8.782 1.00 10.00 C ATOM 607 C ALA A 38 -9.355 11.365 7.358 1.00 10.00 C ATOM 608 O ALA A 38 -10.460 11.864 7.143 1.00 10.00 O ATOM 609 CB ALA A 38 -8.011 12.445 9.165 1.00 10.00 C ATOM 0 H ALA A 38 -7.150 10.200 9.373 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.727 11.166 9.429 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.599 13.352 9.024 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.711 12.366 10.210 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.123 12.486 8.535 1.00 10.00 H new ATOM 615 N ALA A 39 -8.582 10.939 6.385 1.00 10.00 N ATOM 616 CA ALA A 39 -9.030 11.042 5.010 1.00 10.00 C ATOM 617 C ALA A 39 -9.806 9.793 4.615 1.00 10.00 C ATOM 618 O ALA A 39 -10.572 9.804 3.648 1.00 10.00 O ATOM 619 CB ALA A 39 -7.848 11.272 4.080 1.00 10.00 C ATOM 0 H ALA A 39 -7.658 10.526 6.512 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.697 11.899 4.920 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.203 11.347 3.052 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.341 12.196 4.357 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.152 10.438 4.164 1.00 10.00 H new ATOM 625 N VAL A 40 -9.660 8.737 5.395 1.00 10.00 N ATOM 626 CA VAL A 40 -10.427 7.519 5.172 1.00 10.00 C ATOM 627 C VAL A 40 -11.708 7.587 6.022 1.00 10.00 C ATOM 628 O VAL A 40 -12.286 6.577 6.424 1.00 10.00 O ATOM 629 CB VAL A 40 -9.613 6.255 5.508 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.382 5.000 5.102 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.252 6.311 4.822 1.00 10.00 C ATOM 0 H VAL A 40 -9.019 8.695 6.188 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.682 7.450 4.114 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.452 6.214 6.585 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -9.792 4.117 5.347 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.329 4.964 5.640 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.574 5.022 4.029 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.684 5.413 5.066 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.391 6.371 3.743 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.707 7.190 5.167 1.00 10.00 H new ATOM 641 N ARG A 41 -12.114 8.827 6.307 1.00 10.00 N ATOM 642 CA ARG A 41 -13.284 9.158 7.144 1.00 10.00 C ATOM 643 C ARG A 41 -14.612 8.556 6.660 1.00 10.00 C ATOM 644 O ARG A 41 -15.678 8.957 7.127 1.00 10.00 O ATOM 645 CB ARG A 41 -13.434 10.685 7.259 1.00 10.00 C ATOM 646 CG ARG A 41 -14.020 11.367 6.023 1.00 10.00 C ATOM 647 CD ARG A 41 -13.020 11.425 4.878 1.00 10.00 C ATOM 648 NE ARG A 41 -13.053 12.709 4.176 1.00 10.00 N ATOM 649 CZ ARG A 41 -12.590 12.900 2.938 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.034 11.896 2.265 1.00 10.00 N ATOM 651 NH2 ARG A 41 -12.660 14.103 2.383 1.00 10.00 N ATOM 0 H ARG A 41 -11.630 9.654 5.956 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.080 8.706 8.115 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.069 10.910 8.116 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.455 11.118 7.465 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -14.911 10.829 5.700 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.335 12.378 6.281 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.016 11.251 5.266 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.232 10.622 4.172 1.00 10.00 H new ATOM 0 HE ARG A 41 -13.456 13.509 4.664 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.959 10.974 2.694 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.682 12.049 1.320 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -13.067 14.881 2.902 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.307 14.250 1.438 1.00 10.00 H new ATOM 665 N ARG A 42 -14.558 7.608 5.749 1.00 10.00 N ATOM 666 CA ARG A 42 -15.757 6.992 5.225 1.00 10.00 C ATOM 667 C ARG A 42 -16.323 6.002 6.230 1.00 10.00 C ATOM 668 O ARG A 42 -15.569 5.372 6.970 1.00 10.00 O ATOM 669 CB ARG A 42 -15.441 6.273 3.917 1.00 10.00 C ATOM 670 CG ARG A 42 -16.651 6.069 3.032 1.00 10.00 C ATOM 671 CD ARG A 42 -17.299 7.394 2.690 1.00 10.00 C ATOM 672 NE ARG A 42 -18.673 7.469 3.169 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.104 8.325 4.097 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.275 9.186 4.673 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.376 8.334 4.438 1.00 10.00 N ATOM 0 H ARG A 42 -13.690 7.246 5.354 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.498 7.770 5.040 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -14.692 6.845 3.369 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -14.998 5.303 4.143 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.355 5.557 2.116 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -17.372 5.426 3.537 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -16.718 8.206 3.128 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.283 7.537 1.610 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.352 6.823 2.767 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -17.290 9.201 4.408 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -18.623 9.833 5.381 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.028 7.688 3.993 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -20.709 8.987 5.147 1.00 10.00 H new ATOM 689 N LYS A 43 -17.651 5.896 6.277 1.00 10.00 N ATOM 690 CA LYS A 43 -18.310 4.956 7.175 1.00 10.00 C ATOM 691 C LYS A 43 -17.717 3.577 6.980 1.00 10.00 C ATOM 692 O LYS A 43 -17.231 2.949 7.924 1.00 10.00 O ATOM 693 CB LYS A 43 -19.822 4.917 6.906 1.00 10.00 C ATOM 694 CG LYS A 43 -20.454 3.561 7.209 1.00 10.00 C ATOM 695 CD LYS A 43 -21.964 3.573 7.053 1.00 10.00 C ATOM 696 CE LYS A 43 -22.588 2.327 7.658 1.00 10.00 C ATOM 697 NZ LYS A 43 -24.072 2.361 7.614 1.00 10.00 N ATOM 0 H LYS A 43 -18.288 6.449 5.704 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.153 5.282 8.203 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.311 5.681 7.510 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.005 5.170 5.862 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.030 2.810 6.543 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.200 3.265 8.227 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.375 4.460 7.535 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.223 3.636 5.996 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.231 1.448 7.122 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.260 2.225 8.692 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.452 1.491 8.038 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.416 3.185 8.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.388 2.432 6.626 1.00 10.00 H new ATOM 711 N ASN A 44 -17.736 3.122 5.743 1.00 10.00 N ATOM 712 CA ASN A 44 -17.195 1.831 5.412 1.00 10.00 C ATOM 713 C ASN A 44 -15.695 1.954 5.206 1.00 10.00 C ATOM 714 O ASN A 44 -15.207 1.874 4.080 1.00 10.00 O ATOM 715 CB ASN A 44 -17.879 1.234 4.172 1.00 10.00 C ATOM 716 CG ASN A 44 -18.336 2.272 3.158 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.666 3.270 2.909 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.500 2.044 2.573 1.00 10.00 N ATOM 0 H ASN A 44 -18.124 3.635 4.951 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.388 1.147 6.238 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.189 0.545 3.685 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.741 0.649 4.492 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.867 2.708 1.891 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.031 1.204 2.804 1.00 10.00 H new ATOM 725 N PHE A 45 -14.987 2.231 6.304 1.00 10.00 N ATOM 726 CA PHE A 45 -13.533 2.361 6.274 1.00 10.00 C ATOM 727 C PHE A 45 -12.945 1.154 5.548 1.00 10.00 C ATOM 728 O PHE A 45 -13.225 0.008 5.899 1.00 10.00 O ATOM 729 CB PHE A 45 -12.965 2.482 7.711 1.00 10.00 C ATOM 730 CG PHE A 45 -11.480 2.830 7.815 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.526 1.980 7.291 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.035 3.995 8.451 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.181 2.258 7.382 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.683 4.279 8.543 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.756 3.409 8.006 1.00 10.00 C ATOM 0 H PHE A 45 -15.401 2.369 7.226 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.256 3.270 5.739 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.535 3.244 8.243 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.134 1.538 8.228 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.844 1.074 6.797 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.754 4.680 8.875 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.459 1.573 6.964 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.354 5.182 9.035 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.701 3.630 8.075 1.00 10.00 H new ATOM 745 N LYS A 46 -12.194 1.448 4.499 1.00 10.00 N ATOM 746 CA LYS A 46 -11.523 0.447 3.674 1.00 10.00 C ATOM 747 C LYS A 46 -10.508 -0.352 4.503 1.00 10.00 C ATOM 748 O LYS A 46 -10.521 -0.256 5.720 1.00 10.00 O ATOM 749 CB LYS A 46 -10.872 1.177 2.506 1.00 10.00 C ATOM 750 CG LYS A 46 -11.494 0.823 1.166 1.00 10.00 C ATOM 751 CD LYS A 46 -12.185 2.019 0.533 1.00 10.00 C ATOM 752 CE LYS A 46 -13.075 1.603 -0.627 1.00 10.00 C ATOM 753 NZ LYS A 46 -14.035 0.537 -0.233 1.00 10.00 N ATOM 0 H LYS A 46 -12.028 2.405 4.188 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.236 -0.283 3.291 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.953 2.252 2.666 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.809 0.938 2.482 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.721 0.451 0.493 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.214 0.016 1.301 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.783 2.534 1.285 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.436 2.728 0.181 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.625 2.470 -0.992 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.456 1.248 -1.451 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.850 0.548 -0.878 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.565 -0.390 -0.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.361 0.706 0.740 1.00 10.00 H new ATOM 767 N PRO A 47 -9.671 -1.215 3.884 1.00 10.00 N ATOM 768 CA PRO A 47 -8.662 -1.984 4.623 1.00 10.00 C ATOM 769 C PRO A 47 -7.870 -1.106 5.599 1.00 10.00 C ATOM 770 O PRO A 47 -7.957 0.120 5.603 1.00 10.00 O ATOM 771 CB PRO A 47 -7.811 -2.592 3.525 1.00 10.00 C ATOM 772 CG PRO A 47 -8.740 -2.719 2.368 1.00 10.00 C ATOM 773 CD PRO A 47 -9.635 -1.519 2.444 1.00 10.00 C ATOM 0 HA PRO A 47 -9.091 -2.748 5.272 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -6.959 -1.956 3.283 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.411 -3.561 3.822 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.193 -2.742 1.425 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.316 -3.643 2.426 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.239 -0.684 1.866 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.630 -1.733 2.053 1.00 10.00 H new ATOM 781 N THR A 48 -6.999 -1.757 6.346 1.00 10.00 N ATOM 782 CA THR A 48 -6.063 -1.071 7.204 1.00 10.00 C ATOM 783 C THR A 48 -4.948 -0.687 6.266 1.00 10.00 C ATOM 784 O THR A 48 -5.094 -0.574 5.060 1.00 10.00 O ATOM 785 CB THR A 48 -5.586 -1.985 8.317 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.749 -3.037 7.794 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.797 -2.587 8.957 1.00 10.00 C ATOM 0 H THR A 48 -6.923 -2.774 6.373 1.00 10.00 H new ATOM 0 HA THR A 48 -6.490 -0.206 7.712 1.00 10.00 H new ATOM 0 HB THR A 48 -5.000 -1.415 9.038 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.582 -3.701 8.495 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.489 -3.252 9.764 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.428 -1.794 9.360 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.358 -3.154 8.214 1.00 10.00 H new ATOM 795 N LYS A 49 -3.796 -0.565 6.892 1.00 10.00 N ATOM 796 CA LYS A 49 -2.590 -0.074 6.266 1.00 10.00 C ATOM 797 C LYS A 49 -1.729 -1.168 5.625 1.00 10.00 C ATOM 798 O LYS A 49 -0.705 -0.864 5.016 1.00 10.00 O ATOM 799 CB LYS A 49 -1.762 0.646 7.348 1.00 10.00 C ATOM 800 CG LYS A 49 -2.081 0.238 8.789 1.00 10.00 C ATOM 801 CD LYS A 49 -2.784 1.350 9.564 1.00 10.00 C ATOM 802 CE LYS A 49 -4.271 1.068 9.727 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.973 2.141 10.477 1.00 10.00 N ATOM 0 H LYS A 49 -3.671 -0.811 7.874 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.889 0.589 5.455 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.705 0.458 7.159 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.918 1.720 7.248 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.711 -0.651 8.781 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.157 -0.031 9.301 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.324 1.456 10.546 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.648 2.298 9.044 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.727 0.958 8.743 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.403 0.119 10.247 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.877 1.776 10.840 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.381 2.453 11.273 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -5.154 2.946 9.844 1.00 10.00 H new ATOM 817 N TYR A 50 -2.111 -2.435 5.757 1.00 10.00 N ATOM 818 CA TYR A 50 -1.381 -3.473 5.057 1.00 10.00 C ATOM 819 C TYR A 50 -1.862 -3.416 3.625 1.00 10.00 C ATOM 820 O TYR A 50 -1.092 -3.780 2.742 1.00 10.00 O ATOM 821 CB TYR A 50 -1.683 -4.828 5.657 1.00 10.00 C ATOM 822 CG TYR A 50 -1.051 -5.077 7.001 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.273 -5.464 7.095 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.794 -4.987 8.166 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.839 -5.775 8.306 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.229 -5.274 9.391 1.00 10.00 C ATOM 827 CZ TYR A 50 0.088 -5.676 9.451 1.00 10.00 C ATOM 828 OH TYR A 50 0.643 -6.042 10.649 1.00 10.00 O ATOM 0 H TYR A 50 -2.896 -2.756 6.324 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.304 -3.323 5.128 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.763 -4.935 5.754 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.347 -5.600 4.964 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.873 -5.523 6.199 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -2.830 -4.688 8.115 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.869 -6.096 8.358 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -1.813 -5.185 10.295 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.013 -5.914 11.366 1.00 10.00 H new ATOM 838 N SER A 51 -3.087 -3.032 3.344 1.00 10.00 N ATOM 839 CA SER A 51 -3.457 -2.889 1.936 1.00 10.00 C ATOM 840 C SER A 51 -2.603 -1.794 1.289 1.00 10.00 C ATOM 841 O SER A 51 -1.857 -1.070 1.949 1.00 10.00 O ATOM 842 CB SER A 51 -4.927 -2.569 1.796 1.00 10.00 C ATOM 843 OG SER A 51 -5.296 -1.559 2.691 1.00 10.00 O ATOM 0 H SER A 51 -3.817 -2.820 4.024 1.00 10.00 H new ATOM 0 HA SER A 51 -3.272 -3.834 1.426 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.141 -2.254 0.775 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.520 -3.464 1.984 1.00 10.00 H new ATOM 0 HG SER A 51 -5.173 -1.875 3.610 1.00 10.00 H new ATOM 849 N SER A 52 -2.758 -1.686 -0.021 1.00 10.00 N ATOM 850 CA SER A 52 -2.038 -0.717 -0.811 1.00 10.00 C ATOM 851 C SER A 52 -3.004 0.374 -1.303 1.00 10.00 C ATOM 852 O SER A 52 -4.221 0.171 -1.383 1.00 10.00 O ATOM 853 CB SER A 52 -1.329 -1.445 -1.960 1.00 10.00 C ATOM 854 OG SER A 52 -2.020 -2.653 -2.308 1.00 10.00 O ATOM 0 H SER A 52 -3.391 -2.274 -0.563 1.00 10.00 H new ATOM 0 HA SER A 52 -1.276 -0.216 -0.214 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.273 -0.791 -2.830 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.305 -1.679 -1.670 1.00 10.00 H new ATOM 0 HG SER A 52 -1.550 -3.098 -3.044 1.00 10.00 H new ATOM 860 N ILE A 53 -2.407 1.515 -1.658 1.00 10.00 N ATOM 861 CA ILE A 53 -3.100 2.728 -2.063 1.00 10.00 C ATOM 862 C ILE A 53 -2.475 3.205 -3.390 1.00 10.00 C ATOM 863 O ILE A 53 -1.342 2.841 -3.672 1.00 10.00 O ATOM 864 CB ILE A 53 -2.988 3.830 -0.951 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.713 3.427 0.353 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.560 5.153 -1.423 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.054 2.316 1.148 1.00 10.00 C ATOM 0 H ILE A 53 -1.392 1.617 -1.670 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.163 2.530 -2.204 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.922 3.935 -0.747 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.794 4.308 0.990 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.728 3.119 0.104 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.467 5.894 -0.629 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.013 5.493 -2.302 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.612 5.025 -1.677 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.642 2.111 2.043 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.997 1.415 0.537 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.049 2.622 1.437 1.00 10.00 H new ATOM 879 N CYS A 54 -3.164 4.009 -4.200 1.00 10.00 N ATOM 880 CA CYS A 54 -2.566 4.485 -5.441 1.00 10.00 C ATOM 881 C CYS A 54 -2.153 5.978 -5.347 1.00 10.00 C ATOM 882 O CYS A 54 -2.652 6.737 -4.515 1.00 10.00 O ATOM 883 CB CYS A 54 -3.509 4.189 -6.612 1.00 10.00 C ATOM 884 SG CYS A 54 -4.948 5.249 -6.699 1.00 10.00 S ATOM 0 H CYS A 54 -4.114 4.336 -4.023 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.637 3.944 -5.622 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.950 4.281 -7.543 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.841 3.153 -6.541 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.858 4.813 -5.879 1.00 10.00 H new ATOM 889 N SER A 55 -1.206 6.342 -6.219 1.00 10.00 N ATOM 890 CA SER A 55 -0.519 7.657 -6.265 1.00 10.00 C ATOM 891 C SER A 55 -1.367 8.933 -6.328 1.00 10.00 C ATOM 892 O SER A 55 -1.053 9.907 -5.645 1.00 10.00 O ATOM 893 CB SER A 55 0.430 7.628 -7.458 1.00 10.00 C ATOM 894 OG SER A 55 -0.135 6.899 -8.528 1.00 10.00 O ATOM 0 H SER A 55 -0.877 5.708 -6.947 1.00 10.00 H new ATOM 0 HA SER A 55 -0.036 7.746 -5.292 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.648 8.646 -7.780 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.378 7.177 -7.164 1.00 10.00 H new ATOM 0 HG SER A 55 -0.625 7.510 -9.117 1.00 10.00 H new ATOM 900 N GLU A 56 -2.425 8.929 -7.105 1.00 10.00 N ATOM 901 CA GLU A 56 -3.272 10.109 -7.314 1.00 10.00 C ATOM 902 C GLU A 56 -3.805 10.748 -6.027 1.00 10.00 C ATOM 903 O GLU A 56 -4.306 11.872 -6.042 1.00 10.00 O ATOM 904 CB GLU A 56 -4.455 9.674 -8.157 1.00 10.00 C ATOM 905 CG GLU A 56 -4.876 8.267 -7.806 1.00 10.00 C ATOM 906 CD GLU A 56 -6.342 8.138 -7.503 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.139 8.933 -8.024 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.703 7.208 -6.735 1.00 10.00 O ATOM 0 H GLU A 56 -2.736 8.105 -7.620 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.653 10.867 -7.793 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.289 10.358 -8.001 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.193 9.727 -9.214 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.624 7.604 -8.634 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.303 7.930 -6.942 1.00 10.00 H new ATOM 915 N HIS A 57 -3.702 10.025 -4.927 1.00 10.00 N ATOM 916 CA HIS A 57 -4.222 10.498 -3.645 1.00 10.00 C ATOM 917 C HIS A 57 -3.262 11.392 -2.858 1.00 10.00 C ATOM 918 O HIS A 57 -3.696 12.097 -1.943 1.00 10.00 O ATOM 919 CB HIS A 57 -4.596 9.301 -2.786 1.00 10.00 C ATOM 920 CG HIS A 57 -5.741 8.514 -3.330 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.982 9.047 -3.625 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.808 7.201 -3.646 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.748 8.054 -4.098 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.078 6.912 -4.135 1.00 10.00 N ATOM 0 H HIS A 57 -3.263 9.105 -4.890 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.088 11.116 -3.883 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.729 8.647 -2.690 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.847 9.647 -1.783 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.003 6.489 -3.536 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.776 8.170 -4.408 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.422 6.007 -4.456 1.00 10.00 H new ATOM 932 N PHE A 58 -1.984 11.387 -3.190 1.00 10.00 N ATOM 933 CA PHE A 58 -1.022 12.190 -2.456 1.00 10.00 C ATOM 934 C PHE A 58 -0.271 13.083 -3.402 1.00 10.00 C ATOM 935 O PHE A 58 -0.440 12.997 -4.617 1.00 10.00 O ATOM 936 CB PHE A 58 -0.030 11.319 -1.666 1.00 10.00 C ATOM 937 CG PHE A 58 -0.296 9.851 -1.733 1.00 10.00 C ATOM 938 CD1 PHE A 58 -1.131 9.214 -0.825 1.00 10.00 C ATOM 939 CD2 PHE A 58 0.317 9.104 -2.706 1.00 10.00 C ATOM 940 CE1 PHE A 58 -1.340 7.854 -0.902 1.00 10.00 C ATOM 941 CE2 PHE A 58 0.119 7.755 -2.788 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.710 7.122 -1.887 1.00 10.00 C ATOM 0 H PHE A 58 -1.590 10.841 -3.956 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.578 12.795 -1.739 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.976 11.509 -2.039 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.047 11.630 -0.621 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -1.620 9.789 -0.053 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.967 9.590 -3.419 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -1.993 7.364 -0.195 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.613 7.184 -3.560 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.866 6.055 -1.952 1.00 10.00 H new ATOM 952 N THR A 59 0.555 13.939 -2.847 1.00 10.00 N ATOM 953 CA THR A 59 1.334 14.839 -3.644 1.00 10.00 C ATOM 954 C THR A 59 2.572 14.114 -4.124 1.00 10.00 C ATOM 955 O THR A 59 3.153 13.322 -3.386 1.00 10.00 O ATOM 956 CB THR A 59 1.722 16.083 -2.838 1.00 10.00 C ATOM 957 OG1 THR A 59 1.839 15.752 -1.445 1.00 10.00 O ATOM 958 CG2 THR A 59 0.673 17.157 -3.021 1.00 10.00 C ATOM 0 H THR A 59 0.701 14.026 -1.841 1.00 10.00 H new ATOM 0 HA THR A 59 0.744 15.169 -4.499 1.00 10.00 H new ATOM 0 HB THR A 59 2.683 16.452 -3.196 1.00 10.00 H new ATOM 0 HG1 THR A 59 0.959 15.816 -1.019 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.952 18.040 -2.446 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.601 17.419 -4.077 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.291 16.787 -2.672 1.00 10.00 H new ATOM 966 N PRO A 60 2.965 14.346 -5.373 1.00 10.00 N ATOM 967 CA PRO A 60 4.145 13.720 -5.976 1.00 10.00 C ATOM 968 C PRO A 60 5.393 13.835 -5.104 1.00 10.00 C ATOM 969 O PRO A 60 6.239 12.940 -5.066 1.00 10.00 O ATOM 970 CB PRO A 60 4.345 14.531 -7.269 1.00 10.00 C ATOM 971 CG PRO A 60 3.430 15.707 -7.150 1.00 10.00 C ATOM 972 CD PRO A 60 2.288 15.232 -6.322 1.00 10.00 C ATOM 0 HA PRO A 60 3.997 12.650 -6.124 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.382 14.850 -7.375 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.103 13.933 -8.148 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.933 16.551 -6.679 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.092 16.044 -8.130 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.774 16.053 -5.822 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.542 14.704 -6.916 1.00 10.00 H new ATOM 980 N ASP A 61 5.436 14.929 -4.352 1.00 10.00 N ATOM 981 CA ASP A 61 6.521 15.198 -3.401 1.00 10.00 C ATOM 982 C ASP A 61 6.582 14.071 -2.385 1.00 10.00 C ATOM 983 O ASP A 61 7.641 13.531 -2.069 1.00 10.00 O ATOM 984 CB ASP A 61 6.281 16.524 -2.664 1.00 10.00 C ATOM 985 CG ASP A 61 5.858 17.636 -3.597 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.659 17.711 -3.930 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.729 18.431 -4.017 1.00 10.00 O ATOM 0 H ASP A 61 4.722 15.657 -4.381 1.00 10.00 H new ATOM 0 HA ASP A 61 7.460 15.266 -3.951 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.513 16.380 -1.904 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.193 16.817 -2.144 1.00 10.00 H new ATOM 992 N SER A 62 5.407 13.729 -1.893 1.00 10.00 N ATOM 993 CA SER A 62 5.224 12.751 -0.842 1.00 10.00 C ATOM 994 C SER A 62 4.934 11.347 -1.346 1.00 10.00 C ATOM 995 O SER A 62 4.690 10.440 -0.560 1.00 10.00 O ATOM 996 CB SER A 62 4.014 13.174 -0.024 1.00 10.00 C ATOM 997 OG SER A 62 4.091 12.673 1.301 1.00 10.00 O ATOM 0 H SER A 62 4.531 14.135 -2.223 1.00 10.00 H new ATOM 0 HA SER A 62 6.156 12.718 -0.278 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.949 14.262 -0.001 1.00 10.00 H new ATOM 0 HB3 SER A 62 3.104 12.810 -0.501 1.00 10.00 H new ATOM 0 HG SER A 62 3.187 12.509 1.642 1.00 10.00 H new ATOM 1003 N PHE A 63 4.966 11.200 -2.663 1.00 10.00 N ATOM 1004 CA PHE A 63 4.686 9.920 -3.336 1.00 10.00 C ATOM 1005 C PHE A 63 5.207 8.673 -2.591 1.00 10.00 C ATOM 1006 O PHE A 63 4.422 7.762 -2.324 1.00 10.00 O ATOM 1007 CB PHE A 63 5.225 9.909 -4.774 1.00 10.00 C ATOM 1008 CG PHE A 63 4.194 10.204 -5.840 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.835 10.058 -5.592 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.590 10.620 -7.103 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.903 10.324 -6.568 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.654 10.886 -8.088 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.309 10.737 -7.819 1.00 10.00 C ATOM 0 H PHE A 63 5.187 11.961 -3.305 1.00 10.00 H new ATOM 0 HA PHE A 63 3.598 9.853 -3.340 1.00 10.00 H new ATOM 0 HB2 PHE A 63 6.028 10.642 -4.852 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.665 8.932 -4.975 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.505 9.730 -4.617 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.641 10.738 -7.320 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.851 10.209 -6.354 1.00 10.00 H new ATOM 0 HE2 PHE A 63 3.977 11.210 -9.066 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.577 10.943 -8.586 1.00 10.00 H new ATOM 1023 N LYS A 64 6.509 8.615 -2.266 1.00 10.00 N ATOM 1024 CA LYS A 64 7.068 7.437 -1.572 1.00 10.00 C ATOM 1025 C LYS A 64 8.530 7.638 -1.158 1.00 10.00 C ATOM 1026 O LYS A 64 8.926 8.743 -0.824 1.00 10.00 O ATOM 1027 CB LYS A 64 6.931 6.188 -2.453 1.00 10.00 C ATOM 1028 CG LYS A 64 7.314 6.417 -3.908 1.00 10.00 C ATOM 1029 CD LYS A 64 7.416 5.109 -4.672 1.00 10.00 C ATOM 1030 CE LYS A 64 7.433 5.346 -6.168 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.727 4.096 -6.914 1.00 10.00 N ATOM 0 H LYS A 64 7.185 9.352 -2.466 1.00 10.00 H new ATOM 0 HA LYS A 64 6.493 7.301 -0.656 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.557 5.395 -2.043 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.900 5.835 -2.410 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.573 7.060 -4.383 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.268 6.942 -3.955 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.322 4.581 -4.375 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.574 4.467 -4.413 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.468 5.742 -6.486 1.00 10.00 H new ATOM 0 HE3 LYS A 64 8.182 6.100 -6.409 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.731 4.294 -7.935 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.658 3.732 -6.628 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.998 3.386 -6.702 1.00 10.00 H new ATOM 1045 N ARG A 65 9.323 6.557 -1.203 1.00 10.00 N ATOM 1046 CA ARG A 65 10.742 6.564 -0.803 1.00 10.00 C ATOM 1047 C ARG A 65 11.574 7.621 -1.531 1.00 10.00 C ATOM 1048 O ARG A 65 12.650 7.992 -1.066 1.00 10.00 O ATOM 1049 CB ARG A 65 11.358 5.173 -1.006 1.00 10.00 C ATOM 1050 CG ARG A 65 10.926 4.477 -2.285 1.00 10.00 C ATOM 1051 CD ARG A 65 11.098 2.970 -2.179 1.00 10.00 C ATOM 1052 NE ARG A 65 12.421 2.510 -2.618 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.959 1.336 -2.265 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.320 0.543 -1.401 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.139 0.965 -2.771 1.00 10.00 N ATOM 0 H ARG A 65 8.996 5.644 -1.521 1.00 10.00 H new ATOM 0 HA ARG A 65 10.763 6.828 0.254 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.444 5.266 -1.006 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.092 4.544 -0.157 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.883 4.712 -2.495 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.513 4.854 -3.123 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.938 2.664 -1.145 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.332 2.480 -2.779 1.00 10.00 H new ATOM 0 HE ARG A 65 12.963 3.121 -3.229 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.423 0.832 -1.011 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.729 -0.352 -1.131 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.628 1.576 -3.425 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.550 0.071 -2.503 1.00 10.00 H new ATOM 1069 N GLU A 66 11.080 8.105 -2.665 1.00 10.00 N ATOM 1070 CA GLU A 66 11.778 9.138 -3.428 1.00 10.00 C ATOM 1071 C GLU A 66 11.513 10.516 -2.813 1.00 10.00 C ATOM 1072 O GLU A 66 11.896 11.545 -3.372 1.00 10.00 O ATOM 1073 CB GLU A 66 11.379 9.126 -4.919 1.00 10.00 C ATOM 1074 CG GLU A 66 12.058 8.028 -5.728 1.00 10.00 C ATOM 1075 CD GLU A 66 11.163 6.828 -5.977 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.854 6.098 -5.017 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.779 6.600 -7.147 1.00 10.00 O ATOM 0 H GLU A 66 10.199 7.800 -3.078 1.00 10.00 H new ATOM 0 HA GLU A 66 12.845 8.921 -3.378 1.00 10.00 H new ATOM 0 HB2 GLU A 66 10.298 9.005 -4.995 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.624 10.093 -5.359 1.00 10.00 H new ATOM 0 HG2 GLU A 66 12.380 8.438 -6.685 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.955 7.701 -5.203 1.00 10.00 H new ATOM 1084 N SER A 67 10.823 10.517 -1.674 1.00 10.00 N ATOM 1085 CA SER A 67 10.493 11.735 -0.953 1.00 10.00 C ATOM 1086 C SER A 67 11.748 12.394 -0.346 1.00 10.00 C ATOM 1087 O SER A 67 12.513 13.060 -1.046 1.00 10.00 O ATOM 1088 CB SER A 67 9.451 11.388 0.127 1.00 10.00 C ATOM 1089 OG SER A 67 9.441 12.303 1.200 1.00 10.00 O ATOM 0 H SER A 67 10.478 9.667 -1.227 1.00 10.00 H new ATOM 0 HA SER A 67 10.073 12.467 -1.643 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.461 11.360 -0.328 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.654 10.388 0.511 1.00 10.00 H new ATOM 0 HG SER A 67 9.544 11.817 2.045 1.00 10.00 H new ATOM 1095 N ASN A 68 11.954 12.211 0.951 1.00 10.00 N ATOM 1096 CA ASN A 68 13.089 12.813 1.639 1.00 10.00 C ATOM 1097 C ASN A 68 14.212 11.816 1.858 1.00 10.00 C ATOM 1098 O ASN A 68 15.283 11.930 1.262 1.00 10.00 O ATOM 1099 CB ASN A 68 12.651 13.392 2.991 1.00 10.00 C ATOM 1100 CG ASN A 68 13.017 14.859 3.149 1.00 10.00 C ATOM 1101 OD1 ASN A 68 12.212 15.740 2.855 1.00 10.00 O ATOM 1102 ND2 ASN A 68 14.231 15.134 3.609 1.00 10.00 N ATOM 0 H ASN A 68 11.349 11.649 1.550 1.00 10.00 H new ATOM 0 HA ASN A 68 13.463 13.613 1.000 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.572 13.278 3.098 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.114 12.818 3.794 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.523 16.104 3.729 1.00 10.00 H new ATOM 0 HD22 ASN A 68 14.872 14.376 3.842 1.00 10.00 H new ATOM 1109 N ASN A 69 13.968 10.844 2.722 1.00 10.00 N ATOM 1110 CA ASN A 69 14.980 9.845 3.043 1.00 10.00 C ATOM 1111 C ASN A 69 14.624 8.483 2.470 1.00 10.00 C ATOM 1112 O ASN A 69 15.305 7.984 1.576 1.00 10.00 O ATOM 1113 CB ASN A 69 15.170 9.748 4.559 1.00 10.00 C ATOM 1114 CG ASN A 69 16.220 8.722 4.960 1.00 10.00 C ATOM 1115 OD1 ASN A 69 17.410 8.904 4.708 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.791 7.645 5.607 1.00 10.00 N ATOM 0 H ASN A 69 13.082 10.724 3.213 1.00 10.00 H new ATOM 0 HA ASN A 69 15.916 10.164 2.585 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.457 10.725 4.947 1.00 10.00 H new ATOM 0 HB3 ASN A 69 14.219 9.488 5.023 1.00 10.00 H new ATOM 0 HD21 ASN A 69 16.456 6.935 5.913 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.796 7.528 5.799 1.00 10.00 H new ATOM 1123 N LYS A 70 13.571 7.867 2.991 1.00 10.00 N ATOM 1124 CA LYS A 70 13.173 6.557 2.501 1.00 10.00 C ATOM 1125 C LYS A 70 11.658 6.370 2.497 1.00 10.00 C ATOM 1126 O LYS A 70 11.164 5.315 2.111 1.00 10.00 O ATOM 1127 CB LYS A 70 13.815 5.473 3.361 1.00 10.00 C ATOM 1128 CG LYS A 70 13.977 4.141 2.642 1.00 10.00 C ATOM 1129 CD LYS A 70 15.333 4.023 1.958 1.00 10.00 C ATOM 1130 CE LYS A 70 16.454 3.882 2.972 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.797 3.932 2.339 1.00 10.00 N ATOM 0 H LYS A 70 12.988 8.245 3.738 1.00 10.00 H new ATOM 0 HA LYS A 70 13.515 6.479 1.469 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.794 5.818 3.695 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.209 5.323 4.254 1.00 10.00 H new ATOM 0 HG2 LYS A 70 13.859 3.327 3.357 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.186 4.031 1.900 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.332 3.160 1.292 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.508 4.903 1.340 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.374 4.678 3.712 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.341 2.938 3.506 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.529 3.832 3.070 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.886 3.157 1.651 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.917 4.843 1.851 1.00 10.00 H new ATOM 1145 N LEU A 71 10.921 7.382 2.915 1.00 10.00 N ATOM 1146 CA LEU A 71 9.471 7.276 2.959 1.00 10.00 C ATOM 1147 C LEU A 71 8.829 8.582 2.512 1.00 10.00 C ATOM 1148 O LEU A 71 9.527 9.421 1.980 1.00 10.00 O ATOM 1149 CB LEU A 71 9.043 6.876 4.372 1.00 10.00 C ATOM 1150 CG LEU A 71 7.988 5.771 4.429 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.772 6.219 5.213 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.577 5.363 3.026 1.00 10.00 C ATOM 0 H LEU A 71 11.295 8.278 3.226 1.00 10.00 H new ATOM 0 HA LEU A 71 9.131 6.505 2.268 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.923 6.548 4.925 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.655 7.757 4.883 1.00 10.00 H new ATOM 0 HG LEU A 71 8.427 4.913 4.937 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.038 5.414 5.237 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.068 6.471 6.231 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.334 7.095 4.735 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.825 4.576 3.082 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.162 6.225 2.503 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.448 4.995 2.484 1.00 10.00 H new ATOM 1164 N LEU A 72 7.519 8.768 2.791 1.00 10.00 N ATOM 1165 CA LEU A 72 6.776 9.955 2.331 1.00 10.00 C ATOM 1166 C LEU A 72 7.325 11.214 2.963 1.00 10.00 C ATOM 1167 O LEU A 72 8.376 11.257 3.600 1.00 10.00 O ATOM 1168 CB LEU A 72 5.270 9.836 2.591 1.00 10.00 C ATOM 1169 CG LEU A 72 4.614 8.555 2.057 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.603 7.481 3.113 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.201 8.807 1.573 1.00 10.00 C ATOM 0 H LEU A 72 6.958 8.110 3.332 1.00 10.00 H new ATOM 0 HA LEU A 72 6.914 10.015 1.251 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.097 9.893 3.666 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.771 10.695 2.142 1.00 10.00 H new ATOM 0 HG LEU A 72 5.211 8.220 1.208 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.134 6.582 2.713 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.626 7.254 3.412 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.041 7.829 3.980 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.772 7.876 1.203 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.596 9.183 2.398 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.218 9.543 0.770 1.00 10.00 H new ATOM 1183 N LYS A 73 6.531 12.250 2.753 1.00 10.00 N ATOM 1184 CA LYS A 73 6.704 13.525 3.392 1.00 10.00 C ATOM 1185 C LYS A 73 5.924 13.380 4.686 1.00 10.00 C ATOM 1186 O LYS A 73 4.701 13.375 4.666 1.00 10.00 O ATOM 1187 CB LYS A 73 6.105 14.672 2.566 1.00 10.00 C ATOM 1188 CG LYS A 73 7.118 15.537 1.844 1.00 10.00 C ATOM 1189 CD LYS A 73 8.065 14.719 0.997 1.00 10.00 C ATOM 1190 CE LYS A 73 9.432 15.384 0.871 1.00 10.00 C ATOM 1191 NZ LYS A 73 9.337 16.824 0.513 1.00 10.00 N ATOM 0 H LYS A 73 5.733 12.218 2.118 1.00 10.00 H new ATOM 0 HA LYS A 73 7.758 13.768 3.526 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.419 14.251 1.831 1.00 10.00 H new ATOM 0 HB3 LYS A 73 5.514 15.306 3.227 1.00 10.00 H new ATOM 0 HG2 LYS A 73 6.596 16.255 1.212 1.00 10.00 H new ATOM 0 HG3 LYS A 73 7.689 16.111 2.574 1.00 10.00 H new ATOM 0 HD2 LYS A 73 8.182 13.728 1.436 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.636 14.579 0.005 1.00 10.00 H new ATOM 0 HE2 LYS A 73 9.969 15.283 1.814 1.00 10.00 H new ATOM 0 HE3 LYS A 73 10.017 14.863 0.113 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 10.277 17.177 0.242 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 8.680 16.941 -0.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 8.988 17.363 1.331 1.00 10.00 H new ATOM 1205 N GLU A 74 6.615 13.139 5.775 1.00 10.00 N ATOM 1206 CA GLU A 74 5.980 12.950 7.090 1.00 10.00 C ATOM 1207 C GLU A 74 4.997 14.054 7.504 1.00 10.00 C ATOM 1208 O GLU A 74 4.304 13.946 8.515 1.00 10.00 O ATOM 1209 CB GLU A 74 7.048 12.869 8.166 1.00 10.00 C ATOM 1210 CG GLU A 74 7.628 14.212 8.555 1.00 10.00 C ATOM 1211 CD GLU A 74 8.527 14.780 7.481 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.613 14.208 7.239 1.00 10.00 O ATOM 1213 OE2 GLU A 74 8.152 15.799 6.873 1.00 10.00 O ATOM 0 H GLU A 74 7.632 13.065 5.791 1.00 10.00 H new ATOM 0 HA GLU A 74 5.406 12.028 6.991 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.623 12.397 9.052 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.854 12.223 7.817 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.817 14.912 8.754 1.00 10.00 H new ATOM 0 HG3 GLU A 74 8.193 14.107 9.481 1.00 10.00 H new ATOM 1220 N ASN A 75 4.963 15.108 6.719 1.00 10.00 N ATOM 1221 CA ASN A 75 4.038 16.217 6.934 1.00 10.00 C ATOM 1222 C ASN A 75 2.947 16.245 5.849 1.00 10.00 C ATOM 1223 O ASN A 75 2.259 17.249 5.662 1.00 10.00 O ATOM 1224 CB ASN A 75 4.799 17.531 6.931 1.00 10.00 C ATOM 1225 CG ASN A 75 5.044 18.072 8.329 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.142 17.183 9.310 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 5.155 19.281 8.526 1.00 10.00 N flip ATOM 0 H ASN A 75 5.573 15.228 5.911 1.00 10.00 H new ATOM 0 HA ASN A 75 3.556 16.077 7.901 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.756 17.390 6.428 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.240 18.268 6.354 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.074 19.934 7.747 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.328 19.630 9.468 1.00 10.00 H new ATOM 1234 N ALA A 76 2.803 15.130 5.152 1.00 10.00 N ATOM 1235 CA ALA A 76 1.825 14.973 4.069 1.00 10.00 C ATOM 1236 C ALA A 76 1.196 13.594 4.153 1.00 10.00 C ATOM 1237 O ALA A 76 1.810 12.580 4.481 1.00 10.00 O ATOM 1238 CB ALA A 76 2.514 15.128 2.715 1.00 10.00 C ATOM 0 H ALA A 76 3.364 14.295 5.318 1.00 10.00 H new ATOM 0 HA ALA A 76 1.056 15.739 4.171 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.780 15.010 1.918 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.966 16.117 2.648 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.288 14.367 2.611 1.00 10.00 H new ATOM 1244 N VAL A 77 -0.098 13.655 3.825 1.00 10.00 N ATOM 1245 CA VAL A 77 -1.045 12.549 3.821 1.00 10.00 C ATOM 1246 C VAL A 77 -2.028 12.741 2.655 1.00 10.00 C ATOM 1247 O VAL A 77 -2.278 13.878 2.249 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.828 12.544 5.175 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.947 13.959 5.718 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.226 11.939 5.060 1.00 10.00 C ATOM 0 H VAL A 77 -0.533 14.532 3.539 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.519 11.602 3.703 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.253 11.916 5.856 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.494 13.942 6.661 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.951 14.370 5.884 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.481 14.581 5.000 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.715 11.966 6.034 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.813 12.513 4.343 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.149 10.906 4.721 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.541 11.636 2.070 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.533 11.677 0.989 1.00 10.00 C ATOM 1262 C PRO A 78 -4.619 12.658 1.387 1.00 10.00 C ATOM 1263 O PRO A 78 -5.323 12.486 2.379 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.053 10.235 0.912 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.401 9.489 2.022 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.188 10.278 2.423 1.00 10.00 C ATOM 0 HA PRO A 78 -3.147 12.003 0.023 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.138 10.208 1.012 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.811 9.786 -0.051 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.084 9.375 2.864 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.121 8.486 1.701 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.979 10.181 3.488 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.297 9.943 1.892 1.00 10.00 H new ATOM 1274 N THR A 79 -4.748 13.678 0.568 1.00 10.00 N ATOM 1275 CA THR A 79 -5.755 14.699 0.744 1.00 10.00 C ATOM 1276 C THR A 79 -6.598 14.808 -0.521 1.00 10.00 C ATOM 1277 O THR A 79 -7.654 15.444 -0.540 1.00 10.00 O ATOM 1278 CB THR A 79 -5.117 16.057 1.087 1.00 10.00 C ATOM 1279 OG1 THR A 79 -6.119 17.003 1.492 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.328 16.609 -0.092 1.00 10.00 C ATOM 0 H THR A 79 -4.151 13.823 -0.246 1.00 10.00 H new ATOM 0 HA THR A 79 -6.395 14.416 1.580 1.00 10.00 H new ATOM 0 HB THR A 79 -4.428 15.896 1.916 1.00 10.00 H new ATOM 0 HG1 THR A 79 -6.975 16.771 1.076 1.00 10.00 H new ATOM 0 HG21 THR A 79 -3.889 17.569 0.181 1.00 10.00 H new ATOM 0 HG22 THR A 79 -3.535 15.910 -0.358 1.00 10.00 H new ATOM 0 HG23 THR A 79 -4.994 16.744 -0.944 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.123 14.148 -1.574 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.762 14.183 -2.885 1.00 10.00 C ATOM 1290 C ILE A 80 -7.772 13.037 -3.025 1.00 10.00 C ATOM 1291 O ILE A 80 -8.301 12.797 -4.107 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.719 14.032 -4.016 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.375 14.691 -3.656 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.277 14.603 -5.309 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.268 16.147 -4.042 1.00 10.00 C ATOM 0 H ILE A 80 -5.282 13.572 -1.541 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.266 15.146 -2.969 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.520 12.969 -4.151 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.217 14.601 -2.581 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.572 14.139 -4.144 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.538 14.494 -6.103 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.185 14.066 -5.582 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.508 15.659 -5.170 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.290 16.530 -3.751 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.391 16.248 -5.120 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.046 16.716 -3.533 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.990 12.310 -1.927 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.899 11.153 -1.894 1.00 10.00 C ATOM 1309 C PHE A 81 -10.175 11.344 -2.700 1.00 10.00 C ATOM 1310 O PHE A 81 -10.499 10.500 -3.530 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.276 10.807 -0.457 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.386 9.769 0.175 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.213 9.358 -0.437 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.739 9.191 1.375 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.414 8.393 0.141 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.943 8.223 1.957 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.778 7.823 1.339 1.00 10.00 C ATOM 0 H PHE A 81 -7.542 12.504 -1.032 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.342 10.339 -2.358 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.243 11.715 0.145 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.305 10.449 -0.438 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -6.920 9.799 -1.379 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.650 9.499 1.867 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.502 8.085 -0.348 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.234 7.779 2.898 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.155 7.067 1.792 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.894 12.428 -2.451 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.142 12.692 -3.156 1.00 10.00 C ATOM 1329 C LEU A 82 -12.591 14.121 -2.900 1.00 10.00 C ATOM 1330 O LEU A 82 -12.110 14.768 -1.965 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.229 11.728 -2.660 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.735 10.653 -3.643 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.253 10.693 -3.707 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.140 10.791 -5.040 1.00 10.00 C ATOM 0 H LEU A 82 -10.636 13.139 -1.767 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.981 12.548 -4.224 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.848 11.220 -1.774 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.086 12.323 -2.343 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.402 9.687 -3.262 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.608 9.932 -4.402 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.664 10.499 -2.716 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.577 11.676 -4.048 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.536 10.005 -5.683 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.403 11.765 -5.453 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.055 10.702 -4.984 1.00 10.00 H new