USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 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 16 GLN :FLIP amide:sc= -3.11! C(o=-4.5!,f=-3.6!) USER MOD Set 1.2: A 27 TYR OH : rot 165:sc= -0.525 USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 153:sc= -0.169 (180deg=-1.06) USER MOD Single : A 5 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 6 TYR OH : rot 30:sc=-0.00799 USER MOD Single : A 15 HIS : no HD1:sc= -5.76! C(o=-5.8!,f=-8.2!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.03 (180deg=-0.441) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 32:sc= 0.358 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 157:sc= 1.08 USER MOD Single : A 59 SER OG : rot -27:sc= -0.156 USER MOD Single : A 62 CYS SG : rot -79:sc= -1.94 USER MOD Single : A 64 LYS NZ :NH3+ -120:sc= 0.417 (180deg=-0.245) USER MOD Single : A 69 SER OG : rot -22:sc= -0.668 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.572! C(o=-3.7!,f=-0.57!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 6.094 1.576 -11.178 1.00 0.00 N ATOM 35 CA VAL A 3 5.842 2.174 -9.837 1.00 0.00 C ATOM 36 C VAL A 3 5.381 3.622 -9.982 1.00 0.00 C ATOM 37 O VAL A 3 5.858 4.364 -10.821 1.00 0.00 O ATOM 38 CB VAL A 3 7.121 2.124 -9.000 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.418 0.674 -8.615 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.298 2.689 -9.804 1.00 0.00 C ATOM 0 HA VAL A 3 5.059 1.602 -9.339 1.00 0.00 H new ATOM 0 HB VAL A 3 6.983 2.724 -8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.329 0.635 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.587 0.274 -8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.550 0.078 -9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.204 2.649 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.439 2.097 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.089 3.723 -10.077 1.00 0.00 H new ATOM 50 N ALA A 4 4.449 4.026 -9.163 1.00 0.00 N ATOM 51 CA ALA A 4 3.931 5.421 -9.230 1.00 0.00 C ATOM 52 C ALA A 4 4.640 6.284 -8.189 1.00 0.00 C ATOM 53 O ALA A 4 4.760 5.924 -7.033 1.00 0.00 O ATOM 54 CB ALA A 4 2.428 5.412 -8.951 1.00 0.00 C ATOM 0 H ALA A 4 4.021 3.443 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 4 4.118 5.832 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.043 6.431 -8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.923 4.798 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.245 5.001 -7.958 1.00 0.00 H new ATOM 60 N HIS A 5 5.115 7.422 -8.604 1.00 0.00 N ATOM 61 CA HIS A 5 5.832 8.333 -7.670 1.00 0.00 C ATOM 62 C HIS A 5 4.832 9.189 -6.898 1.00 0.00 C ATOM 63 O HIS A 5 3.766 9.522 -7.384 1.00 0.00 O ATOM 64 CB HIS A 5 6.762 9.244 -8.472 1.00 0.00 C ATOM 65 CG HIS A 5 7.842 8.418 -9.114 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.730 8.951 -10.036 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.193 7.097 -8.975 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.564 7.963 -10.411 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.280 6.813 -9.795 1.00 0.00 N ATOM 0 H HIS A 5 5.037 7.765 -9.561 1.00 0.00 H new ATOM 0 HA HIS A 5 6.410 7.737 -6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.196 9.778 -9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.204 9.996 -7.818 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.700 6.387 -8.328 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.366 8.086 -11.124 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.758 5.918 -9.903 1.00 0.00 H new ATOM 77 N TYR A 6 5.176 9.548 -5.694 1.00 0.00 N ATOM 78 CA TYR A 6 4.261 10.386 -4.871 1.00 0.00 C ATOM 79 C TYR A 6 5.082 11.195 -3.861 1.00 0.00 C ATOM 80 O TYR A 6 5.695 10.658 -2.957 1.00 0.00 O ATOM 81 CB TYR A 6 3.268 9.491 -4.133 1.00 0.00 C ATOM 82 CG TYR A 6 2.263 10.355 -3.410 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.280 11.031 -4.142 1.00 0.00 C ATOM 84 CD2 TYR A 6 2.313 10.484 -2.018 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.346 11.837 -3.482 1.00 0.00 C ATOM 86 CE2 TYR A 6 1.378 11.290 -1.357 1.00 0.00 C ATOM 87 CZ TYR A 6 0.394 11.967 -2.089 1.00 0.00 C ATOM 88 OH TYR A 6 -0.527 12.761 -1.437 1.00 0.00 O ATOM 0 H TYR A 6 6.055 9.296 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 6 3.711 11.069 -5.519 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.760 8.833 -4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.794 8.852 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.242 10.930 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.072 9.962 -1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.412 12.359 -4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.415 11.390 -0.282 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.368 12.768 -1.940 1.00 0.00 H new ATOM 98 N ARG A 7 5.088 12.490 -4.024 1.00 0.00 N ATOM 99 CA ARG A 7 5.856 13.380 -3.101 1.00 0.00 C ATOM 100 C ARG A 7 7.287 12.860 -2.938 1.00 0.00 C ATOM 101 O ARG A 7 7.923 13.052 -1.920 1.00 0.00 O ATOM 102 CB ARG A 7 5.154 13.442 -1.741 1.00 0.00 C ATOM 103 CG ARG A 7 3.800 14.141 -1.904 1.00 0.00 C ATOM 104 CD ARG A 7 3.051 14.141 -0.567 1.00 0.00 C ATOM 105 NE ARG A 7 3.793 14.974 0.422 1.00 0.00 N ATOM 106 CZ ARG A 7 3.383 15.056 1.662 1.00 0.00 C ATOM 107 NH1 ARG A 7 2.319 14.406 2.050 1.00 0.00 N ATOM 108 NH2 ARG A 7 4.040 15.792 2.514 1.00 0.00 N ATOM 0 H ARG A 7 4.587 12.977 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 7 5.898 14.384 -3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.012 12.436 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.772 13.982 -1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.948 15.165 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.207 13.632 -2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.043 14.532 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.950 13.121 -0.195 1.00 0.00 H new ATOM 0 HE ARG A 7 4.627 15.484 0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.802 13.830 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.005 14.474 3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.871 16.302 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.723 15.858 3.481 1.00 0.00 H new ATOM 122 N GLY A 8 7.798 12.210 -3.949 1.00 0.00 N ATOM 123 CA GLY A 8 9.191 11.673 -3.887 1.00 0.00 C ATOM 124 C GLY A 8 9.153 10.201 -3.471 1.00 0.00 C ATOM 125 O GLY A 8 10.092 9.456 -3.680 1.00 0.00 O ATOM 0 H GLY A 8 7.306 12.026 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.675 11.775 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.782 12.248 -3.174 1.00 0.00 H new ATOM 129 N TYR A 9 8.070 9.781 -2.878 1.00 0.00 N ATOM 130 CA TYR A 9 7.958 8.360 -2.434 1.00 0.00 C ATOM 131 C TYR A 9 7.507 7.469 -3.590 1.00 0.00 C ATOM 132 O TYR A 9 6.680 7.842 -4.401 1.00 0.00 O ATOM 133 CB TYR A 9 6.940 8.257 -1.300 1.00 0.00 C ATOM 134 CG TYR A 9 7.454 8.994 -0.091 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.197 10.363 0.060 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.187 8.307 0.883 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.675 11.043 1.188 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.663 8.986 2.010 1.00 0.00 C ATOM 139 CZ TYR A 9 8.408 10.353 2.163 1.00 0.00 C ATOM 140 OH TYR A 9 8.878 11.022 3.273 1.00 0.00 O ATOM 0 H TYR A 9 7.255 10.361 -2.680 1.00 0.00 H new ATOM 0 HA TYR A 9 8.937 8.027 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.985 8.677 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.761 7.211 -1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.631 10.893 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.385 7.252 0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.479 12.098 1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.227 8.455 2.762 1.00 0.00 H new ATOM 0 HH TYR A 9 9.365 10.397 3.850 1.00 0.00 H new ATOM 150 N GLU A 10 8.046 6.284 -3.659 1.00 0.00 N ATOM 151 CA GLU A 10 7.669 5.336 -4.747 1.00 0.00 C ATOM 152 C GLU A 10 6.561 4.409 -4.257 1.00 0.00 C ATOM 153 O GLU A 10 6.508 4.041 -3.097 1.00 0.00 O ATOM 154 CB GLU A 10 8.891 4.506 -5.135 1.00 0.00 C ATOM 155 CG GLU A 10 9.913 5.409 -5.825 1.00 0.00 C ATOM 156 CD GLU A 10 11.175 4.607 -6.147 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.202 3.428 -5.835 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.094 5.187 -6.703 1.00 0.00 O ATOM 0 H GLU A 10 8.739 5.927 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 10 7.314 5.896 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.331 4.049 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.598 3.694 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.489 5.821 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.161 6.252 -5.181 1.00 0.00 H new ATOM 165 N ILE A 11 5.673 4.033 -5.137 1.00 0.00 N ATOM 166 CA ILE A 11 4.546 3.131 -4.752 1.00 0.00 C ATOM 167 C ILE A 11 4.538 1.907 -5.666 1.00 0.00 C ATOM 168 O ILE A 11 4.577 2.018 -6.877 1.00 0.00 O ATOM 169 CB ILE A 11 3.224 3.884 -4.900 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.215 5.081 -3.945 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.068 2.947 -4.548 1.00 0.00 C ATOM 172 CD1 ILE A 11 2.029 5.991 -4.271 1.00 0.00 C ATOM 0 H ILE A 11 5.679 4.315 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 11 4.672 2.811 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 11 3.113 4.233 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.148 4.735 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.148 5.637 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.123 3.480 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.077 2.089 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.179 2.603 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.025 6.842 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.116 6.348 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.100 5.432 -4.159 1.00 0.00 H new ATOM 184 N GLU A 12 4.480 0.739 -5.082 1.00 0.00 N ATOM 185 CA GLU A 12 4.456 -0.522 -5.884 1.00 0.00 C ATOM 186 C GLU A 12 3.200 -1.326 -5.497 1.00 0.00 C ATOM 187 O GLU A 12 3.214 -2.074 -4.538 1.00 0.00 O ATOM 188 CB GLU A 12 5.705 -1.346 -5.574 1.00 0.00 C ATOM 189 CG GLU A 12 5.752 -2.570 -6.500 1.00 0.00 C ATOM 190 CD GLU A 12 5.969 -2.111 -7.945 1.00 0.00 C ATOM 191 OE1 GLU A 12 4.985 -1.851 -8.619 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.116 -2.028 -8.353 1.00 0.00 O ATOM 0 H GLU A 12 4.448 0.603 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 12 4.436 -0.288 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.599 -0.738 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.694 -1.665 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.557 -3.239 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.822 -3.134 -6.422 1.00 0.00 H new ATOM 199 N PRO A 13 2.113 -1.155 -6.215 1.00 0.00 N ATOM 200 CA PRO A 13 0.831 -1.855 -5.917 1.00 0.00 C ATOM 201 C PRO A 13 0.820 -3.317 -6.377 1.00 0.00 C ATOM 202 O PRO A 13 1.563 -3.717 -7.252 1.00 0.00 O ATOM 203 CB PRO A 13 -0.212 -1.022 -6.674 1.00 0.00 C ATOM 204 CG PRO A 13 0.527 -0.429 -7.834 1.00 0.00 C ATOM 205 CD PRO A 13 1.988 -0.281 -7.397 1.00 0.00 C ATOM 0 HA PRO A 13 0.644 -1.918 -4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.042 -1.642 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.634 -0.245 -6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.449 -1.071 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.105 0.538 -8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.672 -0.586 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.226 0.754 -7.152 1.00 0.00 H new ATOM 213 N GLY A 14 -0.026 -4.112 -5.784 1.00 0.00 N ATOM 214 CA GLY A 14 -0.105 -5.548 -6.167 1.00 0.00 C ATOM 215 C GLY A 14 -1.265 -6.219 -5.427 1.00 0.00 C ATOM 216 O GLY A 14 -2.364 -5.699 -5.364 1.00 0.00 O ATOM 0 H GLY A 14 -0.670 -3.826 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.247 -5.639 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.832 -6.050 -5.925 1.00 0.00 H new ATOM 220 N HIS A 15 -1.025 -7.373 -4.867 1.00 0.00 N ATOM 221 CA HIS A 15 -2.103 -8.089 -4.125 1.00 0.00 C ATOM 222 C HIS A 15 -1.486 -9.117 -3.173 1.00 0.00 C ATOM 223 O HIS A 15 -0.585 -9.853 -3.532 1.00 0.00 O ATOM 224 CB HIS A 15 -3.025 -8.803 -5.116 1.00 0.00 C ATOM 225 CG HIS A 15 -2.244 -9.825 -5.902 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.159 -9.479 -6.694 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.386 -11.184 -6.037 1.00 0.00 C ATOM 228 CE1 HIS A 15 -0.696 -10.607 -7.263 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.408 -11.675 -6.895 1.00 0.00 N ATOM 0 H HIS A 15 -0.125 -7.853 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.679 -7.365 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.841 -9.289 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.476 -8.078 -5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.143 -11.781 -5.550 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.148 -10.644 -7.935 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.265 -12.643 -7.182 1.00 0.00 H new ATOM 237 N GLN A 16 -1.976 -9.175 -1.969 1.00 0.00 N ATOM 238 CA GLN A 16 -1.440 -10.155 -0.982 1.00 0.00 C ATOM 239 C GLN A 16 -2.393 -10.243 0.212 1.00 0.00 C ATOM 240 O GLN A 16 -3.127 -9.313 0.509 1.00 0.00 O ATOM 241 CB GLN A 16 -0.056 -9.718 -0.498 1.00 0.00 C ATOM 242 CG GLN A 16 0.476 -10.750 0.500 1.00 0.00 C ATOM 243 CD GLN A 16 1.925 -10.424 0.854 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.814 -11.378 0.848 1.00 0.00 O flip ATOM 245 NE2 GLN A 16 2.254 -9.290 1.138 1.00 0.00 N flip ATOM 0 H GLN A 16 -2.730 -8.582 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.354 -11.131 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.626 -9.626 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.115 -8.736 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.138 -10.749 1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.412 -11.750 0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.559 -8.543 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.225 -9.084 1.372 1.00 0.00 H new ATOM 254 N TYR A 17 -2.385 -11.359 0.895 1.00 0.00 N ATOM 255 CA TYR A 17 -3.284 -11.546 2.077 1.00 0.00 C ATOM 256 C TYR A 17 -2.453 -11.631 3.355 1.00 0.00 C ATOM 257 O TYR A 17 -1.362 -12.170 3.374 1.00 0.00 O ATOM 258 CB TYR A 17 -4.092 -12.835 1.900 1.00 0.00 C ATOM 259 CG TYR A 17 -3.175 -14.040 1.977 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.576 -14.545 0.816 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.935 -14.654 3.212 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.735 -15.663 0.891 1.00 0.00 C ATOM 263 CE2 TYR A 17 -2.095 -15.772 3.288 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.496 -16.277 2.128 1.00 0.00 C ATOM 265 OH TYR A 17 -0.668 -17.380 2.202 1.00 0.00 O ATOM 0 H TYR A 17 -1.788 -12.158 0.683 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.963 -10.697 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.858 -12.902 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.607 -12.821 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.762 -14.073 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.398 -14.265 4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.271 -16.051 -0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.909 -16.244 4.241 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.608 -17.682 3.132 1.00 0.00 H new ATOM 275 N ARG A 18 -2.976 -11.100 4.426 1.00 0.00 N ATOM 276 CA ARG A 18 -2.248 -11.131 5.729 1.00 0.00 C ATOM 277 C ARG A 18 -2.782 -12.271 6.599 1.00 0.00 C ATOM 278 O ARG A 18 -3.973 -12.507 6.681 1.00 0.00 O ATOM 279 CB ARG A 18 -2.438 -9.795 6.452 1.00 0.00 C ATOM 280 CG ARG A 18 -1.618 -8.713 5.746 1.00 0.00 C ATOM 281 CD ARG A 18 -1.811 -7.378 6.467 1.00 0.00 C ATOM 282 NE ARG A 18 -0.999 -6.324 5.795 1.00 0.00 N ATOM 283 CZ ARG A 18 0.250 -6.122 6.134 1.00 0.00 C ATOM 284 NH1 ARG A 18 0.809 -6.852 7.062 1.00 0.00 N ATOM 285 NH2 ARG A 18 0.939 -5.190 5.539 1.00 0.00 N ATOM 0 H ARG A 18 -3.886 -10.641 4.455 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.187 -11.295 5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.493 -9.520 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.124 -9.884 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.563 -8.987 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.930 -8.625 4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.865 -7.099 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.512 -7.471 7.511 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.421 -5.753 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.272 -7.584 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.782 -6.690 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.506 -4.621 4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.912 -5.030 5.800 1.00 0.00 H new ATOM 299 N ASP A 19 -1.897 -12.977 7.243 1.00 0.00 N ATOM 300 CA ASP A 19 -2.314 -14.115 8.113 1.00 0.00 C ATOM 301 C ASP A 19 -3.068 -13.585 9.340 1.00 0.00 C ATOM 302 O ASP A 19 -3.806 -14.304 9.988 1.00 0.00 O ATOM 303 CB ASP A 19 -1.060 -14.862 8.575 1.00 0.00 C ATOM 304 CG ASP A 19 -0.442 -15.611 7.394 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.112 -15.738 6.385 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.693 -16.044 7.519 1.00 0.00 O ATOM 0 H ASP A 19 -0.891 -12.814 7.205 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.969 -14.784 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.338 -14.159 8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.315 -15.563 9.370 1.00 0.00 H new ATOM 311 N ASP A 20 -2.886 -12.333 9.662 1.00 0.00 N ATOM 312 CA ASP A 20 -3.592 -11.748 10.844 1.00 0.00 C ATOM 313 C ASP A 20 -5.103 -11.730 10.593 1.00 0.00 C ATOM 314 O ASP A 20 -5.893 -12.044 11.463 1.00 0.00 O ATOM 315 CB ASP A 20 -3.101 -10.319 11.073 1.00 0.00 C ATOM 316 CG ASP A 20 -1.682 -10.349 11.644 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.227 -11.426 11.993 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.076 -9.293 11.727 1.00 0.00 O ATOM 0 H ASP A 20 -2.278 -11.687 9.158 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.381 -12.356 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.115 -9.764 10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.769 -9.800 11.760 1.00 0.00 H new ATOM 323 N ILE A 21 -5.507 -11.361 9.404 1.00 0.00 N ATOM 324 CA ILE A 21 -6.967 -11.315 9.065 1.00 0.00 C ATOM 325 C ILE A 21 -7.285 -12.439 8.077 1.00 0.00 C ATOM 326 O ILE A 21 -8.425 -12.691 7.743 1.00 0.00 O ATOM 327 CB ILE A 21 -7.301 -9.954 8.441 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.248 -9.585 7.388 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.316 -8.887 9.537 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.730 -8.373 6.578 1.00 0.00 C ATOM 0 H ILE A 21 -4.884 -11.087 8.645 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.565 -11.448 9.967 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.279 -10.010 7.963 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.299 -9.356 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.071 -10.431 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.553 -7.918 9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.069 -9.142 10.282 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.336 -8.840 10.013 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.980 -8.113 5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.668 -8.618 6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.884 -7.526 7.247 1.00 0.00 H new ATOM 342 N ARG A 22 -6.271 -13.123 7.623 1.00 0.00 N ATOM 343 CA ARG A 22 -6.471 -14.246 6.659 1.00 0.00 C ATOM 344 C ARG A 22 -7.391 -13.799 5.519 1.00 0.00 C ATOM 345 O ARG A 22 -8.287 -14.509 5.102 1.00 0.00 O ATOM 346 CB ARG A 22 -7.073 -15.449 7.391 1.00 0.00 C ATOM 347 CG ARG A 22 -6.073 -15.941 8.441 1.00 0.00 C ATOM 348 CD ARG A 22 -6.668 -17.119 9.214 1.00 0.00 C ATOM 349 NE ARG A 22 -6.901 -18.257 8.278 1.00 0.00 N ATOM 350 CZ ARG A 22 -5.949 -19.115 8.012 1.00 0.00 C ATOM 351 NH1 ARG A 22 -4.769 -18.987 8.558 1.00 0.00 N ATOM 352 NH2 ARG A 22 -6.182 -20.103 7.193 1.00 0.00 N ATOM 0 H ARG A 22 -5.299 -12.950 7.881 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.509 -14.535 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.013 -15.169 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.300 -16.246 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.144 -16.244 7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.826 -15.132 9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.992 -17.423 10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.605 -16.823 9.685 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.815 -18.368 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.584 -18.214 9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.033 -19.660 8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.102 -20.204 6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.444 -20.775 6.982 1.00 0.00 H new ATOM 366 N LYS A 23 -7.160 -12.620 5.007 1.00 0.00 N ATOM 367 CA LYS A 23 -7.995 -12.095 3.883 1.00 0.00 C ATOM 368 C LYS A 23 -7.140 -11.246 2.942 1.00 0.00 C ATOM 369 O LYS A 23 -6.048 -10.820 3.281 1.00 0.00 O ATOM 370 CB LYS A 23 -9.141 -11.250 4.438 1.00 0.00 C ATOM 371 CG LYS A 23 -10.198 -12.168 5.048 1.00 0.00 C ATOM 372 CD LYS A 23 -11.344 -11.326 5.607 1.00 0.00 C ATOM 373 CE LYS A 23 -12.440 -12.251 6.136 1.00 0.00 C ATOM 374 NZ LYS A 23 -11.909 -13.047 7.279 1.00 0.00 N ATOM 0 H LYS A 23 -6.422 -11.991 5.321 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.405 -12.938 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.765 -10.558 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.581 -10.648 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.575 -12.858 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.756 -12.772 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.980 -10.681 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.745 -10.675 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.302 -11.665 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.783 -12.916 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.701 -13.439 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.321 -13.824 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.334 -12.434 7.891 1.00 0.00 H new ATOM 388 N TYR A 24 -7.638 -11.007 1.757 1.00 0.00 N ATOM 389 CA TYR A 24 -6.880 -10.196 0.764 1.00 0.00 C ATOM 390 C TYR A 24 -7.158 -8.713 0.973 1.00 0.00 C ATOM 391 O TYR A 24 -8.293 -8.281 1.089 1.00 0.00 O ATOM 392 CB TYR A 24 -7.310 -10.596 -0.647 1.00 0.00 C ATOM 393 CG TYR A 24 -6.852 -12.004 -0.929 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.643 -13.092 -0.539 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.630 -12.224 -1.576 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.212 -14.399 -0.799 1.00 0.00 C ATOM 397 CE2 TYR A 24 -5.200 -13.530 -1.836 1.00 0.00 C ATOM 398 CZ TYR A 24 -5.990 -14.617 -1.447 1.00 0.00 C ATOM 399 OH TYR A 24 -5.565 -15.904 -1.702 1.00 0.00 O ATOM 0 H TYR A 24 -8.545 -11.343 1.434 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.814 -10.379 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.394 -10.528 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.883 -9.909 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.585 -12.923 -0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.019 -11.385 -1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.822 -15.238 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.258 -13.699 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.698 -15.878 -2.159 1.00 0.00 H new ATOM 409 N VAL A 25 -6.118 -7.924 1.006 1.00 0.00 N ATOM 410 CA VAL A 25 -6.287 -6.455 1.196 1.00 0.00 C ATOM 411 C VAL A 25 -5.255 -5.715 0.331 1.00 0.00 C ATOM 412 O VAL A 25 -4.171 -6.216 0.100 1.00 0.00 O ATOM 413 CB VAL A 25 -6.070 -6.102 2.674 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.013 -6.934 3.542 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.617 -6.387 3.072 1.00 0.00 C ATOM 0 H VAL A 25 -5.152 -8.237 0.909 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.293 -6.158 0.900 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.279 -5.043 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.858 -6.683 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.046 -6.720 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.809 -7.994 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.471 -6.134 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.399 -7.444 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.947 -5.786 2.457 1.00 0.00 H new ATOM 425 N PRO A 26 -5.580 -4.538 -0.146 1.00 0.00 N ATOM 426 CA PRO A 26 -4.656 -3.739 -0.991 1.00 0.00 C ATOM 427 C PRO A 26 -3.218 -3.829 -0.484 1.00 0.00 C ATOM 428 O PRO A 26 -2.879 -3.308 0.563 1.00 0.00 O ATOM 429 CB PRO A 26 -5.195 -2.303 -0.874 1.00 0.00 C ATOM 430 CG PRO A 26 -6.651 -2.438 -0.514 1.00 0.00 C ATOM 431 CD PRO A 26 -6.859 -3.848 0.060 1.00 0.00 C ATOM 0 HA PRO A 26 -4.623 -4.094 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.654 -1.743 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.073 -1.762 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.936 -1.681 0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.278 -2.286 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.120 -3.808 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.672 -4.365 -0.450 1.00 0.00 H new ATOM 439 N TYR A 27 -2.374 -4.495 -1.219 1.00 0.00 N ATOM 440 CA TYR A 27 -0.952 -4.645 -0.792 1.00 0.00 C ATOM 441 C TYR A 27 -0.061 -3.716 -1.612 1.00 0.00 C ATOM 442 O TYR A 27 0.009 -3.805 -2.825 1.00 0.00 O ATOM 443 CB TYR A 27 -0.523 -6.093 -1.008 1.00 0.00 C ATOM 444 CG TYR A 27 0.818 -6.320 -0.358 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.895 -6.518 1.026 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.982 -6.325 -1.134 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.137 -6.724 1.633 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.225 -6.533 -0.526 1.00 0.00 C ATOM 449 CZ TYR A 27 3.303 -6.730 0.858 1.00 0.00 C ATOM 450 OH TYR A 27 4.529 -6.933 1.458 1.00 0.00 O ATOM 0 H TYR A 27 -2.608 -4.946 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.856 -4.383 0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.264 -6.771 -0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.464 -6.311 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.004 -6.512 1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.921 -6.169 -2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.197 -6.879 2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.124 -6.542 -1.124 1.00 0.00 H new ATOM 0 HH TYR A 27 5.197 -7.147 0.773 1.00 0.00 H new ATOM 460 N ALA A 28 0.626 -2.823 -0.953 1.00 0.00 N ATOM 461 CA ALA A 28 1.527 -1.876 -1.677 1.00 0.00 C ATOM 462 C ALA A 28 2.791 -1.654 -0.846 1.00 0.00 C ATOM 463 O ALA A 28 2.759 -1.639 0.369 1.00 0.00 O ATOM 464 CB ALA A 28 0.800 -0.536 -1.901 1.00 0.00 C ATOM 0 H ALA A 28 0.603 -2.707 0.060 1.00 0.00 H new ATOM 0 HA ALA A 28 1.799 -2.294 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.460 0.152 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.099 -0.704 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.524 -0.107 -0.938 1.00 0.00 H new ATOM 470 N LEU A 29 3.901 -1.476 -1.508 1.00 0.00 N ATOM 471 CA LEU A 29 5.192 -1.245 -0.795 1.00 0.00 C ATOM 472 C LEU A 29 5.627 0.202 -1.018 1.00 0.00 C ATOM 473 O LEU A 29 5.714 0.674 -2.137 1.00 0.00 O ATOM 474 CB LEU A 29 6.252 -2.193 -1.360 1.00 0.00 C ATOM 475 CG LEU A 29 5.738 -3.636 -1.286 1.00 0.00 C ATOM 476 CD1 LEU A 29 6.788 -4.585 -1.872 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.459 -4.014 0.176 1.00 0.00 C ATOM 0 H LEU A 29 3.970 -1.481 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 29 5.071 -1.431 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.478 -1.929 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.180 -2.097 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 29 4.815 -3.719 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.422 -5.610 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.977 -4.321 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.713 -4.500 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.094 -5.040 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.378 -3.929 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.706 -3.342 0.588 1.00 0.00 H new ATOM 489 N ILE A 30 5.892 0.909 0.048 1.00 0.00 N ATOM 490 CA ILE A 30 6.315 2.337 -0.066 1.00 0.00 C ATOM 491 C ILE A 30 7.819 2.445 0.177 1.00 0.00 C ATOM 492 O ILE A 30 8.340 1.965 1.168 1.00 0.00 O ATOM 493 CB ILE A 30 5.564 3.171 0.971 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.060 3.073 0.696 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.012 4.630 0.869 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.277 3.708 1.846 1.00 0.00 C ATOM 0 H ILE A 30 5.833 0.555 1.003 1.00 0.00 H new ATOM 0 HA ILE A 30 6.085 2.708 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 30 5.778 2.798 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.819 3.576 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.770 2.029 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.478 5.227 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.084 4.695 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.794 5.009 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.209 3.634 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.507 3.186 2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.557 4.757 1.941 1.00 0.00 H new ATOM 508 N ARG A 31 8.517 3.071 -0.734 1.00 0.00 N ATOM 509 CA ARG A 31 9.999 3.222 -0.598 1.00 0.00 C ATOM 510 C ARG A 31 10.384 4.685 -0.816 1.00 0.00 C ATOM 511 O ARG A 31 9.883 5.351 -1.704 1.00 0.00 O ATOM 512 CB ARG A 31 10.690 2.361 -1.655 1.00 0.00 C ATOM 513 CG ARG A 31 10.407 0.882 -1.375 1.00 0.00 C ATOM 514 CD ARG A 31 11.074 0.023 -2.451 1.00 0.00 C ATOM 515 NE ARG A 31 10.758 -1.417 -2.211 1.00 0.00 N ATOM 516 CZ ARG A 31 11.504 -2.147 -1.420 1.00 0.00 C ATOM 517 NH1 ARG A 31 12.549 -1.633 -0.829 1.00 0.00 N ATOM 518 NH2 ARG A 31 11.199 -3.399 -1.224 1.00 0.00 N ATOM 0 H ARG A 31 8.121 3.489 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 31 10.308 2.906 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.331 2.629 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.764 2.545 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.785 0.608 -0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.332 0.702 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.724 0.323 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.153 0.176 -2.436 1.00 0.00 H new ATOM 0 HE ARG A 31 9.950 -1.838 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.791 -0.654 -0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.123 -2.211 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.384 -3.804 -1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.775 -3.974 -0.609 1.00 0.00 H new ATOM 532 N LYS A 32 11.281 5.186 -0.010 1.00 0.00 N ATOM 533 CA LYS A 32 11.726 6.605 -0.148 1.00 0.00 C ATOM 534 C LYS A 32 12.998 6.655 -0.994 1.00 0.00 C ATOM 535 O LYS A 32 13.945 5.927 -0.764 1.00 0.00 O ATOM 536 CB LYS A 32 12.003 7.183 1.239 1.00 0.00 C ATOM 537 CG LYS A 32 12.373 8.660 1.109 1.00 0.00 C ATOM 538 CD LYS A 32 12.583 9.260 2.500 1.00 0.00 C ATOM 539 CE LYS A 32 12.943 10.742 2.370 1.00 0.00 C ATOM 540 NZ LYS A 32 12.003 11.406 1.421 1.00 0.00 N ATOM 0 H LYS A 32 11.729 4.668 0.746 1.00 0.00 H new ATOM 0 HA LYS A 32 10.947 7.192 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.124 7.072 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.814 6.634 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.280 8.767 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.583 9.198 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.678 9.146 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.378 8.726 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.892 11.226 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.968 10.847 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.926 12.416 1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.361 11.305 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.066 10.961 1.493 1.00 0.00 H new ATOM 554 N VAL A 33 13.017 7.508 -1.978 1.00 0.00 N ATOM 555 CA VAL A 33 14.210 7.612 -2.864 1.00 0.00 C ATOM 556 C VAL A 33 15.393 8.200 -2.094 1.00 0.00 C ATOM 557 O VAL A 33 15.278 9.210 -1.426 1.00 0.00 O ATOM 558 CB VAL A 33 13.880 8.519 -4.050 1.00 0.00 C ATOM 559 CG1 VAL A 33 15.096 8.618 -4.974 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.697 7.934 -4.822 1.00 0.00 C ATOM 0 H VAL A 33 12.252 8.142 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 33 14.477 6.616 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 33 13.622 9.514 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.859 9.265 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.939 9.035 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.357 7.625 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.460 8.579 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.956 6.939 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.831 7.866 -4.164 1.00 0.00 H new ATOM 643 N THR A 39 14.087 -2.129 5.435 1.00 0.00 N ATOM 644 CA THR A 39 12.931 -2.709 6.175 1.00 0.00 C ATOM 645 C THR A 39 11.624 -2.154 5.600 1.00 0.00 C ATOM 646 O THR A 39 11.055 -1.222 6.132 1.00 0.00 O ATOM 647 CB THR A 39 13.045 -2.341 7.657 1.00 0.00 C ATOM 648 OG1 THR A 39 14.381 -2.564 8.094 1.00 0.00 O ATOM 649 CG2 THR A 39 12.090 -3.212 8.472 1.00 0.00 C ATOM 0 HA THR A 39 12.934 -3.794 6.070 1.00 0.00 H new ATOM 0 HB THR A 39 12.785 -1.291 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.000 -2.396 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.170 -2.951 9.527 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.067 -3.045 8.134 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.350 -4.262 8.337 1.00 0.00 H new ATOM 657 N PRO A 40 11.165 -2.711 4.509 1.00 0.00 N ATOM 658 CA PRO A 40 9.919 -2.246 3.841 1.00 0.00 C ATOM 659 C PRO A 40 8.700 -2.322 4.763 1.00 0.00 C ATOM 660 O PRO A 40 8.565 -3.221 5.570 1.00 0.00 O ATOM 661 CB PRO A 40 9.764 -3.198 2.639 1.00 0.00 C ATOM 662 CG PRO A 40 11.132 -3.753 2.410 1.00 0.00 C ATOM 663 CD PRO A 40 11.777 -3.837 3.791 1.00 0.00 C ATOM 0 HA PRO A 40 9.983 -1.197 3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.047 -3.990 2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.400 -2.667 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.083 -4.735 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.710 -3.110 1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.566 -4.789 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.861 -3.740 3.737 1.00 0.00 H new ATOM 671 N ILE A 41 7.813 -1.375 4.635 1.00 0.00 N ATOM 672 CA ILE A 41 6.582 -1.352 5.478 1.00 0.00 C ATOM 673 C ILE A 41 5.362 -1.314 4.552 1.00 0.00 C ATOM 674 O ILE A 41 4.901 -0.257 4.168 1.00 0.00 O ATOM 675 CB ILE A 41 6.605 -0.107 6.370 1.00 0.00 C ATOM 676 CG1 ILE A 41 7.979 -0.008 7.084 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.484 -0.227 7.410 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.918 0.908 6.297 1.00 0.00 C ATOM 0 H ILE A 41 7.889 -0.604 3.972 1.00 0.00 H new ATOM 0 HA ILE A 41 6.535 -2.238 6.111 1.00 0.00 H new ATOM 0 HB ILE A 41 6.454 0.789 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.845 0.378 8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.421 -1.000 7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.488 0.653 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.523 -0.301 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.643 -1.119 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.879 0.970 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.065 0.504 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.480 1.904 6.226 1.00 0.00 H new ATOM 690 N PRO A 42 4.855 -2.464 4.178 1.00 0.00 N ATOM 691 CA PRO A 42 3.683 -2.563 3.265 1.00 0.00 C ATOM 692 C PRO A 42 2.496 -1.732 3.755 1.00 0.00 C ATOM 693 O PRO A 42 2.222 -1.654 4.936 1.00 0.00 O ATOM 694 CB PRO A 42 3.335 -4.062 3.266 1.00 0.00 C ATOM 695 CG PRO A 42 4.595 -4.760 3.669 1.00 0.00 C ATOM 696 CD PRO A 42 5.350 -3.791 4.577 1.00 0.00 C ATOM 0 HA PRO A 42 3.912 -2.176 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.526 -4.277 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.002 -4.389 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.374 -5.691 4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.192 -5.020 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.148 -3.992 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.428 -3.873 4.438 1.00 0.00 H new ATOM 704 N THR A 43 1.796 -1.111 2.843 1.00 0.00 N ATOM 705 CA THR A 43 0.623 -0.270 3.226 1.00 0.00 C ATOM 706 C THR A 43 -0.670 -0.957 2.806 1.00 0.00 C ATOM 707 O THR A 43 -0.798 -1.471 1.705 1.00 0.00 O ATOM 708 CB THR A 43 0.724 1.100 2.552 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.329 1.924 3.023 1.00 0.00 O ATOM 710 CG2 THR A 43 0.613 0.962 1.031 1.00 0.00 C ATOM 0 H THR A 43 1.988 -1.150 1.842 1.00 0.00 H new ATOM 0 HA THR A 43 0.620 -0.138 4.308 1.00 0.00 H new ATOM 0 HB THR A 43 1.690 1.543 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.271 2.805 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.687 1.947 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.420 0.328 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.347 0.513 0.775 1.00 0.00 H new ATOM 718 N THR A 44 -1.626 -0.973 3.694 1.00 0.00 N ATOM 719 CA THR A 44 -2.938 -1.615 3.401 1.00 0.00 C ATOM 720 C THR A 44 -4.048 -0.753 3.972 1.00 0.00 C ATOM 721 O THR A 44 -3.808 0.144 4.759 1.00 0.00 O ATOM 722 CB THR A 44 -2.994 -3.004 4.041 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.958 -2.883 5.461 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.802 -3.833 3.566 1.00 0.00 C ATOM 0 H THR A 44 -1.552 -0.562 4.624 1.00 0.00 H new ATOM 0 HA THR A 44 -3.060 -1.715 2.322 1.00 0.00 H new ATOM 0 HB THR A 44 -3.920 -3.499 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.996 -3.774 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.842 -4.822 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.837 -3.932 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.875 -3.337 3.856 1.00 0.00 H new ATOM 732 N TYR A 45 -5.266 -1.019 3.586 1.00 0.00 N ATOM 733 CA TYR A 45 -6.410 -0.222 4.109 1.00 0.00 C ATOM 734 C TYR A 45 -7.559 -1.175 4.479 1.00 0.00 C ATOM 735 O TYR A 45 -7.893 -2.046 3.706 1.00 0.00 O ATOM 736 CB TYR A 45 -6.884 0.758 3.028 1.00 0.00 C ATOM 737 CG TYR A 45 -7.587 1.924 3.689 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.865 2.780 4.531 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.953 2.142 3.477 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.506 3.852 5.157 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.593 3.218 4.103 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.870 4.073 4.943 1.00 0.00 C ATOM 743 OH TYR A 45 -9.502 5.132 5.560 1.00 0.00 O ATOM 0 H TYR A 45 -5.518 -1.757 2.928 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.098 0.337 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.035 1.113 2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.559 0.256 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.811 2.611 4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.512 1.481 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.948 4.510 5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.646 3.389 3.938 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.448 5.143 5.304 1.00 0.00 H new ATOM 753 N PRO A 46 -8.161 -1.011 5.640 1.00 0.00 N ATOM 754 CA PRO A 46 -9.295 -1.873 6.096 1.00 0.00 C ATOM 755 C PRO A 46 -10.310 -2.146 4.975 1.00 0.00 C ATOM 756 O PRO A 46 -11.382 -1.570 4.927 1.00 0.00 O ATOM 757 CB PRO A 46 -9.926 -1.058 7.236 1.00 0.00 C ATOM 758 CG PRO A 46 -8.805 -0.241 7.799 1.00 0.00 C ATOM 759 CD PRO A 46 -7.825 0.009 6.650 1.00 0.00 C ATOM 0 HA PRO A 46 -8.962 -2.863 6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.731 -0.422 6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.358 -1.711 7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.177 0.701 8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.315 -0.768 8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.936 1.016 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.792 -0.089 6.983 1.00 0.00 H new ATOM 767 N GLU A 47 -9.967 -3.025 4.076 1.00 0.00 N ATOM 768 CA GLU A 47 -10.880 -3.359 2.946 1.00 0.00 C ATOM 769 C GLU A 47 -10.560 -4.763 2.443 1.00 0.00 C ATOM 770 O GLU A 47 -9.419 -5.187 2.437 1.00 0.00 O ATOM 771 CB GLU A 47 -10.691 -2.359 1.799 1.00 0.00 C ATOM 772 CG GLU A 47 -11.253 -0.997 2.209 1.00 0.00 C ATOM 773 CD GLU A 47 -11.296 -0.069 0.995 1.00 0.00 C ATOM 774 OE1 GLU A 47 -10.310 0.608 0.757 1.00 0.00 O ATOM 775 OE2 GLU A 47 -12.317 -0.048 0.327 1.00 0.00 O ATOM 0 H GLU A 47 -9.082 -3.533 4.075 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.912 -3.311 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.633 -2.268 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.197 -2.718 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.254 -1.116 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.634 -0.559 2.992 1.00 0.00 H new ATOM 782 N PHE A 48 -11.563 -5.486 2.022 1.00 0.00 N ATOM 783 CA PHE A 48 -11.347 -6.877 1.516 1.00 0.00 C ATOM 784 C PHE A 48 -11.709 -6.938 0.035 1.00 0.00 C ATOM 785 O PHE A 48 -12.864 -6.843 -0.339 1.00 0.00 O ATOM 786 CB PHE A 48 -12.238 -7.838 2.301 1.00 0.00 C ATOM 787 CG PHE A 48 -12.020 -7.617 3.779 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.789 -7.942 4.361 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.046 -7.078 4.568 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.585 -7.733 5.731 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.840 -6.868 5.937 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.610 -7.196 6.518 1.00 0.00 C ATOM 0 H PHE A 48 -12.533 -5.171 2.006 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.302 -7.159 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.285 -7.673 2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.004 -8.869 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.997 -8.354 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.995 -6.825 4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.636 -7.986 6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.631 -6.453 6.545 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.452 -7.035 7.574 1.00 0.00 H new ATOM 802 N TYR A 49 -10.724 -7.096 -0.808 1.00 0.00 N ATOM 803 CA TYR A 49 -10.976 -7.172 -2.281 1.00 0.00 C ATOM 804 C TYR A 49 -10.389 -8.465 -2.836 1.00 0.00 C ATOM 805 O TYR A 49 -9.240 -8.793 -2.606 1.00 0.00 O ATOM 806 CB TYR A 49 -10.325 -5.975 -2.984 1.00 0.00 C ATOM 807 CG TYR A 49 -11.132 -4.728 -2.707 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.442 -4.624 -3.190 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.574 -3.674 -1.970 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.193 -3.472 -2.937 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.326 -2.522 -1.719 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.636 -2.420 -2.202 1.00 0.00 C ATOM 813 OH TYR A 49 -13.379 -1.286 -1.951 1.00 0.00 O ATOM 0 H TYR A 49 -9.744 -7.177 -0.538 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.051 -7.154 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.302 -5.845 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.271 -6.155 -4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.873 -5.435 -3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.564 -3.752 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.204 -3.394 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.896 -1.710 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.027 -0.834 -1.156 1.00 0.00 H new ATOM 823 N ASP A 50 -11.177 -9.190 -3.575 1.00 0.00 N ATOM 824 CA ASP A 50 -10.698 -10.464 -4.182 1.00 0.00 C ATOM 825 C ASP A 50 -10.171 -10.171 -5.591 1.00 0.00 C ATOM 826 O ASP A 50 -9.357 -10.893 -6.132 1.00 0.00 O ATOM 827 CB ASP A 50 -11.871 -11.445 -4.272 1.00 0.00 C ATOM 828 CG ASP A 50 -12.259 -11.910 -2.868 1.00 0.00 C ATOM 829 OD1 ASP A 50 -11.488 -11.671 -1.953 1.00 0.00 O ATOM 830 OD2 ASP A 50 -13.319 -12.500 -2.730 1.00 0.00 O ATOM 0 H ASP A 50 -12.146 -8.953 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.905 -10.897 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.722 -10.966 -4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.595 -12.302 -4.887 1.00 0.00 H new ATOM 835 N LEU A 51 -10.652 -9.113 -6.192 1.00 0.00 N ATOM 836 CA LEU A 51 -10.209 -8.760 -7.575 1.00 0.00 C ATOM 837 C LEU A 51 -8.838 -8.082 -7.537 1.00 0.00 C ATOM 838 O LEU A 51 -8.525 -7.317 -6.644 1.00 0.00 O ATOM 839 CB LEU A 51 -11.234 -7.813 -8.212 1.00 0.00 C ATOM 840 CG LEU A 51 -12.624 -8.462 -8.182 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.657 -7.487 -8.761 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.619 -9.754 -9.013 1.00 0.00 C ATOM 0 H LEU A 51 -11.335 -8.476 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.133 -9.672 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.252 -6.866 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.948 -7.590 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.883 -8.701 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.644 -7.948 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.670 -6.574 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.392 -7.245 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.610 -10.208 -8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.354 -9.522 -10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.890 -10.450 -8.599 1.00 0.00 H new ATOM 854 N GLU A 52 -8.021 -8.369 -8.511 1.00 0.00 N ATOM 855 CA GLU A 52 -6.661 -7.761 -8.569 1.00 0.00 C ATOM 856 C GLU A 52 -6.772 -6.277 -8.938 1.00 0.00 C ATOM 857 O GLU A 52 -6.045 -5.442 -8.440 1.00 0.00 O ATOM 858 CB GLU A 52 -5.841 -8.486 -9.638 1.00 0.00 C ATOM 859 CG GLU A 52 -4.388 -8.008 -9.596 1.00 0.00 C ATOM 860 CD GLU A 52 -3.719 -8.532 -8.329 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.337 -9.328 -7.640 1.00 0.00 O ATOM 862 OE2 GLU A 52 -2.599 -8.129 -8.065 1.00 0.00 O ATOM 0 H GLU A 52 -8.239 -9.005 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.177 -7.854 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.883 -9.563 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.266 -8.298 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.852 -8.362 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.351 -6.919 -9.616 1.00 0.00 H new ATOM 869 N ALA A 53 -7.674 -5.953 -9.823 1.00 0.00 N ATOM 870 CA ALA A 53 -7.835 -4.529 -10.247 1.00 0.00 C ATOM 871 C ALA A 53 -8.225 -3.669 -9.043 1.00 0.00 C ATOM 872 O ALA A 53 -7.672 -2.611 -8.810 1.00 0.00 O ATOM 873 CB ALA A 53 -8.943 -4.444 -11.298 1.00 0.00 C ATOM 0 H ALA A 53 -8.309 -6.613 -10.273 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.894 -4.167 -10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.067 -3.408 -11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.675 -5.056 -12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.878 -4.808 -10.872 1.00 0.00 H new ATOM 879 N ASP A 54 -9.179 -4.120 -8.277 1.00 0.00 N ATOM 880 CA ASP A 54 -9.619 -3.339 -7.084 1.00 0.00 C ATOM 881 C ASP A 54 -8.466 -3.233 -6.081 1.00 0.00 C ATOM 882 O ASP A 54 -8.212 -2.189 -5.512 1.00 0.00 O ATOM 883 CB ASP A 54 -10.791 -4.063 -6.417 1.00 0.00 C ATOM 884 CG ASP A 54 -12.052 -3.899 -7.266 1.00 0.00 C ATOM 885 OD1 ASP A 54 -11.935 -3.420 -8.381 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.116 -4.261 -6.788 1.00 0.00 O ATOM 0 H ASP A 54 -9.675 -4.999 -8.425 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.923 -2.340 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.557 -5.121 -6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.959 -3.659 -5.418 1.00 0.00 H new ATOM 891 N ALA A 55 -7.773 -4.315 -5.861 1.00 0.00 N ATOM 892 CA ALA A 55 -6.637 -4.297 -4.891 1.00 0.00 C ATOM 893 C ALA A 55 -5.548 -3.337 -5.381 1.00 0.00 C ATOM 894 O ALA A 55 -5.022 -2.537 -4.631 1.00 0.00 O ATOM 895 CB ALA A 55 -6.051 -5.706 -4.787 1.00 0.00 C ATOM 0 H ALA A 55 -7.943 -5.214 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.997 -3.966 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.221 -5.703 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.821 -6.395 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.694 -6.025 -5.766 1.00 0.00 H new ATOM 901 N GLU A 56 -5.205 -3.421 -6.637 1.00 0.00 N ATOM 902 CA GLU A 56 -4.149 -2.525 -7.192 1.00 0.00 C ATOM 903 C GLU A 56 -4.661 -1.081 -7.250 1.00 0.00 C ATOM 904 O GLU A 56 -3.974 -0.149 -6.878 1.00 0.00 O ATOM 905 CB GLU A 56 -3.794 -2.994 -8.607 1.00 0.00 C ATOM 906 CG GLU A 56 -3.083 -4.348 -8.528 1.00 0.00 C ATOM 907 CD GLU A 56 -2.802 -4.873 -9.939 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.132 -4.180 -10.888 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.260 -5.962 -10.047 1.00 0.00 O ATOM 0 H GLU A 56 -5.612 -4.074 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.268 -2.563 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.697 -3.079 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.152 -2.261 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.149 -4.246 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.700 -5.061 -7.982 1.00 0.00 H new ATOM 916 N ARG A 57 -5.862 -0.893 -7.717 1.00 0.00 N ATOM 917 CA ARG A 57 -6.428 0.488 -7.807 1.00 0.00 C ATOM 918 C ARG A 57 -6.577 1.086 -6.406 1.00 0.00 C ATOM 919 O ARG A 57 -6.222 2.223 -6.156 1.00 0.00 O ATOM 920 CB ARG A 57 -7.805 0.415 -8.475 1.00 0.00 C ATOM 921 CG ARG A 57 -7.660 0.087 -9.970 1.00 0.00 C ATOM 922 CD ARG A 57 -7.401 1.373 -10.769 1.00 0.00 C ATOM 923 NE ARG A 57 -8.539 2.315 -10.567 1.00 0.00 N ATOM 924 CZ ARG A 57 -8.487 3.533 -11.042 1.00 0.00 C ATOM 925 NH1 ARG A 57 -7.434 3.941 -11.697 1.00 0.00 N ATOM 926 NH2 ARG A 57 -9.489 4.345 -10.854 1.00 0.00 N ATOM 0 H ARG A 57 -6.481 -1.636 -8.042 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.758 1.118 -8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.413 -0.347 -7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.326 1.365 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.839 -0.614 -10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.565 -0.400 -10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.469 1.835 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.289 1.141 -11.828 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.365 2.007 -10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.646 3.309 -11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.399 4.892 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.311 4.030 -10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.452 5.295 -11.223 1.00 0.00 H new ATOM 940 N VAL A 58 -7.098 0.321 -5.497 1.00 0.00 N ATOM 941 CA VAL A 58 -7.281 0.815 -4.103 1.00 0.00 C ATOM 942 C VAL A 58 -5.913 1.024 -3.444 1.00 0.00 C ATOM 943 O VAL A 58 -5.689 1.985 -2.734 1.00 0.00 O ATOM 944 CB VAL A 58 -8.085 -0.214 -3.307 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.114 0.187 -1.827 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.518 -0.275 -3.847 1.00 0.00 C ATOM 0 H VAL A 58 -7.410 -0.637 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.816 1.764 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.616 -1.193 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.688 -0.548 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.095 0.227 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.580 1.167 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.090 -1.009 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.986 0.705 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.499 -0.564 -4.898 1.00 0.00 H new ATOM 956 N SER A 59 -5.005 0.112 -3.659 1.00 0.00 N ATOM 957 CA SER A 59 -3.656 0.230 -3.030 1.00 0.00 C ATOM 958 C SER A 59 -3.004 1.559 -3.430 1.00 0.00 C ATOM 959 O SER A 59 -2.403 2.238 -2.618 1.00 0.00 O ATOM 960 CB SER A 59 -2.777 -0.929 -3.509 1.00 0.00 C ATOM 961 OG SER A 59 -2.620 -0.850 -4.921 1.00 0.00 O ATOM 0 H SER A 59 -5.138 -0.713 -4.245 1.00 0.00 H new ATOM 0 HA SER A 59 -3.760 0.196 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.803 -0.888 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.231 -1.881 -3.235 1.00 0.00 H new ATOM 0 HG SER A 59 -3.397 -0.399 -5.312 1.00 0.00 H new ATOM 967 N ILE A 60 -3.115 1.936 -4.673 1.00 0.00 N ATOM 968 CA ILE A 60 -2.501 3.224 -5.122 1.00 0.00 C ATOM 969 C ILE A 60 -3.193 4.399 -4.417 1.00 0.00 C ATOM 970 O ILE A 60 -2.557 5.319 -3.934 1.00 0.00 O ATOM 971 CB ILE A 60 -2.690 3.364 -6.638 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.857 2.301 -7.356 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.237 4.755 -7.090 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.233 2.265 -8.840 1.00 0.00 C ATOM 0 H ILE A 60 -3.603 1.411 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.439 3.229 -4.875 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.744 3.230 -6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.795 2.521 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.029 1.324 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.373 4.850 -8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.831 5.514 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.184 4.893 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.637 1.507 -9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.291 2.024 -8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.039 3.239 -9.288 1.00 0.00 H new ATOM 986 N ALA A 61 -4.496 4.375 -4.361 1.00 0.00 N ATOM 987 CA ALA A 61 -5.241 5.486 -3.698 1.00 0.00 C ATOM 988 C ALA A 61 -4.949 5.482 -2.195 1.00 0.00 C ATOM 989 O ALA A 61 -4.613 6.493 -1.607 1.00 0.00 O ATOM 990 CB ALA A 61 -6.741 5.283 -3.918 1.00 0.00 C ATOM 0 H ALA A 61 -5.080 3.633 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.926 6.438 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.292 6.091 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.955 5.284 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.046 4.329 -3.488 1.00 0.00 H new ATOM 996 N CYS A 62 -5.071 4.342 -1.574 1.00 0.00 N ATOM 997 CA CYS A 62 -4.807 4.249 -0.108 1.00 0.00 C ATOM 998 C CYS A 62 -3.350 4.623 0.173 1.00 0.00 C ATOM 999 O CYS A 62 -3.031 5.221 1.184 1.00 0.00 O ATOM 1000 CB CYS A 62 -5.061 2.817 0.361 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.822 2.428 0.201 1.00 0.00 S ATOM 0 H CYS A 62 -5.343 3.466 -2.020 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.468 4.933 0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.469 2.119 -0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.746 2.702 1.398 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.474 2.948 1.199 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.465 4.273 -0.716 1.00 0.00 N ATOM 1008 CA ALA A 63 -1.023 4.600 -0.512 1.00 0.00 C ATOM 1009 C ALA A 63 -0.854 6.118 -0.394 1.00 0.00 C ATOM 1010 O ALA A 63 -0.100 6.611 0.423 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.221 4.101 -1.716 1.00 0.00 C ATOM 0 H ALA A 63 -2.677 3.773 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.666 4.120 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.834 4.337 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.342 3.022 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.583 4.588 -2.621 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.555 6.862 -1.205 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.439 8.352 -1.143 1.00 0.00 C ATOM 1019 C LYS A 64 -1.947 8.857 0.214 1.00 0.00 C ATOM 1020 O LYS A 64 -1.330 9.684 0.856 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.292 8.967 -2.257 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.681 8.631 -3.620 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.557 9.215 -4.731 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.993 8.817 -6.096 1.00 0.00 C ATOM 1025 NZ LYS A 64 -0.677 9.486 -6.306 1.00 0.00 N ATOM 0 H LYS A 64 -2.203 6.506 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.395 8.639 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.311 8.585 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.349 10.048 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.671 9.036 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.599 7.550 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.580 8.852 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.594 10.301 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.875 7.735 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.688 9.103 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.726 10.091 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.447 10.068 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.061 8.766 -6.439 1.00 0.00 H new ATOM 1039 N ILE A 65 -3.072 8.364 0.647 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.639 8.801 1.960 1.00 0.00 C ATOM 1041 C ILE A 65 -2.741 8.313 3.102 1.00 0.00 C ATOM 1042 O ILE A 65 -2.492 9.017 4.060 1.00 0.00 O ATOM 1043 CB ILE A 65 -5.061 8.230 2.129 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -6.055 8.990 1.223 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.502 8.355 3.598 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.016 8.424 -0.198 1.00 0.00 C ATOM 0 H ILE A 65 -3.630 7.672 0.147 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.686 9.890 1.986 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.053 7.179 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.064 8.907 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.805 10.051 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.508 7.950 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.813 7.799 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.498 9.405 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.721 8.969 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.010 8.531 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.289 7.369 -0.177 1.00 0.00 H new ATOM 1058 N ILE A 66 -2.277 7.102 3.013 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.422 6.549 4.101 1.00 0.00 C ATOM 1060 C ILE A 66 -0.141 7.376 4.224 1.00 0.00 C ATOM 1061 O ILE A 66 0.294 7.709 5.310 1.00 0.00 O ATOM 1062 CB ILE A 66 -1.075 5.088 3.771 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -2.343 4.211 3.874 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.004 4.570 4.740 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.570 3.760 5.327 1.00 0.00 C ATOM 0 H ILE A 66 -2.452 6.468 2.233 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.959 6.591 5.049 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.689 5.036 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.209 4.771 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.243 3.339 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.243 3.534 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.902 5.181 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.368 4.627 5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.467 3.143 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.711 3.181 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.693 4.635 5.965 1.00 0.00 H new ATOM 1077 N ILE A 67 0.464 7.712 3.124 1.00 0.00 N ATOM 1078 CA ILE A 67 1.714 8.525 3.184 1.00 0.00 C ATOM 1079 C ILE A 67 1.396 9.902 3.784 1.00 0.00 C ATOM 1080 O ILE A 67 2.109 10.410 4.630 1.00 0.00 O ATOM 1081 CB ILE A 67 2.268 8.696 1.764 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.795 7.349 1.254 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.405 9.725 1.768 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.072 7.428 -0.251 1.00 0.00 C ATOM 0 H ILE A 67 0.151 7.462 2.186 1.00 0.00 H new ATOM 0 HA ILE A 67 2.454 8.023 3.807 1.00 0.00 H new ATOM 0 HB ILE A 67 1.471 9.047 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.708 7.082 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.066 6.564 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.794 9.842 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.027 10.683 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.203 9.383 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.446 6.467 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.150 7.674 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.817 8.200 -0.444 1.00 0.00 H new ATOM 1096 N ASP A 68 0.328 10.506 3.345 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.049 11.848 3.875 1.00 0.00 C ATOM 1098 C ASP A 68 -0.379 11.728 5.367 1.00 0.00 C ATOM 1099 O ASP A 68 0.028 12.539 6.180 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.284 12.356 3.116 1.00 0.00 C ATOM 1101 CG ASP A 68 -0.869 12.946 1.763 1.00 0.00 C ATOM 1102 OD1 ASP A 68 0.322 13.037 1.514 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -1.754 13.288 0.994 1.00 0.00 O ATOM 0 H ASP A 68 -0.303 10.127 2.639 1.00 0.00 H new ATOM 0 HA ASP A 68 0.777 12.546 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.988 11.538 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.798 13.113 3.709 1.00 0.00 H new ATOM 1108 N SER A 69 -1.119 10.718 5.729 1.00 0.00 N ATOM 1109 CA SER A 69 -1.487 10.533 7.162 1.00 0.00 C ATOM 1110 C SER A 69 -0.228 10.263 7.989 1.00 0.00 C ATOM 1111 O SER A 69 -0.007 10.863 9.025 1.00 0.00 O ATOM 1112 CB SER A 69 -2.437 9.338 7.282 1.00 0.00 C ATOM 1113 OG SER A 69 -1.797 8.180 6.765 1.00 0.00 O ATOM 0 H SER A 69 -1.486 10.010 5.093 1.00 0.00 H new ATOM 0 HA SER A 69 -1.974 11.435 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.713 9.181 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.359 9.534 6.734 1.00 0.00 H new ATOM 0 HG SER A 69 -1.077 8.448 6.157 1.00 0.00 H new ATOM 1119 N HIS A 70 0.606 9.370 7.532 1.00 0.00 N ATOM 1120 CA HIS A 70 1.857 9.053 8.286 1.00 0.00 C ATOM 1121 C HIS A 70 2.549 10.356 8.696 1.00 0.00 C ATOM 1122 O HIS A 70 3.008 10.509 9.811 1.00 0.00 O ATOM 1123 CB HIS A 70 2.797 8.236 7.393 1.00 0.00 C ATOM 1124 CG HIS A 70 4.140 8.107 8.062 1.00 0.00 C ATOM 1125 ND1 HIS A 70 5.398 8.506 7.680 1.00 0.00 N flip ATOM 1126 CD2 HIS A 70 4.291 7.516 9.305 1.00 0.00 C flip ATOM 1127 CE1 HIS A 70 6.315 8.171 8.671 1.00 0.00 C flip ATOM 1128 NE2 HIS A 70 5.595 7.579 9.627 1.00 0.00 N flip ATOM 0 H HIS A 70 0.477 8.844 6.668 1.00 0.00 H new ATOM 0 HA HIS A 70 1.609 8.477 9.177 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.374 7.248 7.209 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.907 8.721 6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.505 7.083 9.906 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.380 8.351 8.668 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.987 7.218 10.497 1.00 0.00 H new ATOM 1136 N LEU A 71 2.624 11.293 7.796 1.00 0.00 N ATOM 1137 CA LEU A 71 3.285 12.591 8.121 1.00 0.00 C ATOM 1138 C LEU A 71 2.505 13.293 9.228 1.00 0.00 C ATOM 1139 O LEU A 71 3.075 13.873 10.132 1.00 0.00 O ATOM 1140 CB LEU A 71 3.305 13.475 6.874 1.00 0.00 C ATOM 1141 CG LEU A 71 4.254 12.869 5.830 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.087 13.612 4.499 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.719 12.976 6.304 1.00 0.00 C ATOM 0 H LEU A 71 2.257 11.219 6.847 1.00 0.00 H new ATOM 0 HA LEU A 71 4.306 12.408 8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.300 13.561 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.630 14.482 7.135 1.00 0.00 H new ATOM 0 HG LEU A 71 4.007 11.816 5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.760 13.183 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.057 13.515 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.325 14.667 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.377 12.542 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.978 14.024 6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.837 12.438 7.244 1.00 0.00 H new ATOM 1155 N ASP A 72 1.204 13.247 9.163 1.00 0.00 N ATOM 1156 CA ASP A 72 0.369 13.911 10.213 1.00 0.00 C ATOM 1157 C ASP A 72 -0.763 12.973 10.624 1.00 0.00 C ATOM 1158 O ASP A 72 -1.913 13.187 10.298 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.205 15.215 9.659 1.00 0.00 C ATOM 1160 CG ASP A 72 0.915 16.255 9.554 1.00 0.00 C ATOM 1161 OD1 ASP A 72 1.976 16.012 10.106 1.00 0.00 O ATOM 1162 OD2 ASP A 72 0.694 17.275 8.922 1.00 0.00 O ATOM 0 H ASP A 72 0.677 12.777 8.427 1.00 0.00 H new ATOM 0 HA ASP A 72 0.983 14.136 11.085 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.650 15.043 8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.999 15.582 10.310 1.00 0.00 H new ATOM 1237 N GLY A 77 5.844 4.946 11.362 1.00 0.00 N ATOM 1238 CA GLY A 77 5.255 4.123 10.267 1.00 0.00 C ATOM 1239 C GLY A 77 6.267 3.985 9.125 1.00 0.00 C ATOM 1240 O GLY A 77 6.869 2.945 8.933 1.00 0.00 O ATOM 0 HA2 GLY A 77 4.982 3.138 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.340 4.588 9.901 1.00 0.00 H new ATOM 1244 N LEU A 78 6.462 5.033 8.368 1.00 0.00 N ATOM 1245 CA LEU A 78 7.435 4.992 7.230 1.00 0.00 C ATOM 1246 C LEU A 78 8.725 5.712 7.643 1.00 0.00 C ATOM 1247 O LEU A 78 9.560 6.044 6.824 1.00 0.00 O ATOM 1248 CB LEU A 78 6.818 5.700 6.020 1.00 0.00 C ATOM 1249 CG LEU A 78 5.434 5.109 5.718 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.809 5.848 4.529 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.565 3.617 5.378 1.00 0.00 C ATOM 0 H LEU A 78 5.985 5.926 8.489 1.00 0.00 H new ATOM 0 HA LEU A 78 7.663 3.958 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.731 6.768 6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.468 5.588 5.152 1.00 0.00 H new ATOM 0 HG LEU A 78 4.798 5.224 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.826 5.428 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.706 6.906 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.449 5.737 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.579 3.204 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.205 3.498 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.004 3.088 6.224 1.00 0.00 H new ATOM 1263 N ALA A 79 8.885 5.952 8.916 1.00 0.00 N ATOM 1264 CA ALA A 79 10.111 6.649 9.411 1.00 0.00 C ATOM 1265 C ALA A 79 11.350 5.786 9.135 1.00 0.00 C ATOM 1266 O ALA A 79 12.453 6.282 9.009 1.00 0.00 O ATOM 1267 CB ALA A 79 9.980 6.879 10.917 1.00 0.00 C ATOM 0 H ALA A 79 8.215 5.694 9.641 1.00 0.00 H new ATOM 0 HA ALA A 79 10.218 7.604 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.871 7.387 11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.102 7.494 11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.873 5.920 11.424 1.00 0.00 H new ATOM 1273 N ASP A 80 11.172 4.496 9.047 1.00 0.00 N ATOM 1274 CA ASP A 80 12.333 3.591 8.786 1.00 0.00 C ATOM 1275 C ASP A 80 12.859 3.823 7.365 1.00 0.00 C ATOM 1276 O ASP A 80 13.964 3.443 7.026 1.00 0.00 O ATOM 1277 CB ASP A 80 11.879 2.137 8.922 1.00 0.00 C ATOM 1278 CG ASP A 80 11.604 1.821 10.392 1.00 0.00 C ATOM 1279 OD1 ASP A 80 12.024 2.597 11.233 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.975 0.807 10.653 1.00 0.00 O ATOM 0 H ASP A 80 10.272 4.027 9.144 1.00 0.00 H new ATOM 0 HA ASP A 80 13.125 3.801 9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.980 1.969 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.647 1.468 8.533 1.00 0.00 H new ATOM 1285 N LEU A 81 12.073 4.446 6.530 1.00 0.00 N ATOM 1286 CA LEU A 81 12.511 4.707 5.125 1.00 0.00 C ATOM 1287 C LEU A 81 13.160 6.093 5.047 1.00 0.00 C ATOM 1288 O LEU A 81 13.636 6.514 4.011 1.00 0.00 O ATOM 1289 CB LEU A 81 11.286 4.657 4.205 1.00 0.00 C ATOM 1290 CG LEU A 81 10.579 3.305 4.364 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.317 3.279 3.494 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.520 2.164 3.942 1.00 0.00 C ATOM 0 H LEU A 81 11.140 4.788 6.760 1.00 0.00 H new ATOM 0 HA LEU A 81 13.234 3.953 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.601 5.468 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.591 4.800 3.168 1.00 0.00 H new ATOM 0 HG LEU A 81 10.303 3.169 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.816 2.318 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.644 4.078 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.592 3.423 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.009 1.209 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.808 2.297 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.412 2.177 4.569 1.00 0.00 H new ATOM 1304 N GLY A 82 13.187 6.804 6.141 1.00 0.00 N ATOM 1305 CA GLY A 82 13.807 8.161 6.140 1.00 0.00 C ATOM 1306 C GLY A 82 13.661 8.792 7.525 1.00 0.00 C ATOM 1307 O GLY A 82 13.129 9.888 7.606 1.00 0.00 O ATOM 1308 OXT GLY A 82 14.079 8.165 8.484 1.00 0.00 O ATOM 0 H GLY A 82 12.806 6.503 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.861 8.090 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.328 8.790 5.390 1.00 0.00 H new