USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -0.497! C(o=0.67!,f=-5.2!) USER MOD Set 1.2: A 62 THR OG1 : rot 84:sc= 0.635 USER MOD Set 1.3: A 63 THR OG1 : rot -87:sc= 0.53 USER MOD Set 2.1: A 7 GLN : amide:sc= 0 K(o=0.28,f=-0.55) USER MOD Set 2.2: A 31 THR OG1 : rot 141:sc= 0.284 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -100:sc= 1.32 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 147:sc= 0.0743 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0664) USER MOD Single : A 25 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-4.9!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0277 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0168 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.354 -5.481 -14.782 1.00 0.00 N ATOM 82 CA TYR A 6 4.010 -4.955 -15.201 1.00 0.00 C ATOM 83 C TYR A 6 3.746 -3.571 -14.619 1.00 0.00 C ATOM 84 O TYR A 6 4.208 -3.235 -13.544 1.00 0.00 O ATOM 85 CB TYR A 6 2.857 -5.908 -14.739 1.00 0.00 C ATOM 86 CG TYR A 6 3.389 -6.958 -13.767 1.00 0.00 C ATOM 87 CD1 TYR A 6 3.943 -8.122 -14.255 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.338 -6.751 -12.407 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.440 -9.070 -13.394 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.835 -7.699 -11.544 1.00 0.00 C ATOM 91 CZ TYR A 6 4.393 -8.868 -12.030 1.00 0.00 C ATOM 92 OH TYR A 6 4.897 -9.817 -11.164 1.00 0.00 O ATOM 0 HA TYR A 6 4.027 -4.897 -16.289 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.067 -5.328 -14.261 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.413 -6.398 -15.605 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.987 -8.290 -15.321 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.906 -5.841 -12.017 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.870 -9.979 -13.787 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.789 -7.530 -10.478 1.00 0.00 H new ATOM 0 HH TYR A 6 4.782 -9.511 -10.240 1.00 0.00 H new ATOM 102 N GLN A 7 2.988 -2.825 -15.379 1.00 0.00 N ATOM 103 CA GLN A 7 2.802 -1.372 -15.106 1.00 0.00 C ATOM 104 C GLN A 7 1.315 -1.027 -15.185 1.00 0.00 C ATOM 105 O GLN A 7 0.509 -1.799 -15.670 1.00 0.00 O ATOM 106 CB GLN A 7 3.598 -0.571 -16.155 1.00 0.00 C ATOM 107 CG GLN A 7 5.101 -0.656 -15.822 1.00 0.00 C ATOM 108 CD GLN A 7 5.952 -0.001 -16.924 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.488 0.343 -17.994 1.00 0.00 O ATOM 110 NE2 GLN A 7 7.222 0.186 -16.690 1.00 0.00 N ATOM 0 H GLN A 7 2.480 -3.170 -16.194 1.00 0.00 H new ATOM 0 HA GLN A 7 3.163 -1.122 -14.109 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.411 -0.968 -17.153 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.272 0.469 -16.160 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.294 -0.163 -14.869 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.392 -1.700 -15.706 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.623 -0.098 -15.796 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.814 0.616 -17.401 1.00 0.00 H new ATOM 119 N TYR A 8 1.012 0.141 -14.687 1.00 0.00 N ATOM 120 CA TYR A 8 -0.404 0.603 -14.599 1.00 0.00 C ATOM 121 C TYR A 8 -0.412 2.086 -14.970 1.00 0.00 C ATOM 122 O TYR A 8 0.481 2.826 -14.605 1.00 0.00 O ATOM 123 CB TYR A 8 -0.944 0.444 -13.161 1.00 0.00 C ATOM 124 CG TYR A 8 -1.012 -1.026 -12.708 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.145 -1.719 -12.414 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.227 -1.674 -12.575 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.092 -3.030 -11.994 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.278 -2.987 -12.153 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.118 -3.676 -11.859 1.00 0.00 C ATOM 130 OH TYR A 8 -1.160 -4.988 -11.431 1.00 0.00 O ATOM 0 H TYR A 8 1.698 0.807 -14.331 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.033 0.013 -15.265 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.307 1.002 -12.475 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.939 0.884 -13.101 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.102 -1.228 -12.514 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.142 -1.148 -12.803 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.007 -3.557 -11.768 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.234 -3.480 -12.052 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.270 -5.581 -12.204 1.00 0.00 H new ATOM 140 N ARG A 9 -1.434 2.459 -15.686 1.00 0.00 N ATOM 141 CA ARG A 9 -1.646 3.883 -16.067 1.00 0.00 C ATOM 142 C ARG A 9 -2.788 4.446 -15.213 1.00 0.00 C ATOM 143 O ARG A 9 -3.895 3.942 -15.248 1.00 0.00 O ATOM 144 CB ARG A 9 -1.971 3.885 -17.564 1.00 0.00 C ATOM 145 CG ARG A 9 -2.140 5.310 -18.116 1.00 0.00 C ATOM 146 CD ARG A 9 -1.932 5.247 -19.643 1.00 0.00 C ATOM 147 NE ARG A 9 -2.350 6.549 -20.246 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.306 6.579 -21.135 1.00 0.00 C ATOM 149 NH1 ARG A 9 -3.114 6.012 -22.295 1.00 0.00 N ATOM 150 NH2 ARG A 9 -4.425 7.178 -20.836 1.00 0.00 N ATOM 0 H ARG A 9 -2.150 1.820 -16.032 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.774 4.512 -15.891 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.174 3.378 -18.108 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.886 3.319 -17.737 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.131 5.697 -17.880 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.417 5.986 -17.659 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.886 5.045 -19.872 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.515 4.431 -20.069 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.889 7.414 -19.963 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.226 5.553 -22.498 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.852 6.028 -22.999 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.542 7.613 -19.921 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.183 7.212 -21.517 1.00 0.00 H new ATOM 164 N ALA A 10 -2.468 5.474 -14.467 1.00 0.00 N ATOM 165 CA ALA A 10 -3.532 6.284 -13.785 1.00 0.00 C ATOM 166 C ALA A 10 -4.614 6.761 -14.785 1.00 0.00 C ATOM 167 O ALA A 10 -4.337 7.538 -15.679 1.00 0.00 O ATOM 168 CB ALA A 10 -2.861 7.500 -13.104 1.00 0.00 C ATOM 0 H ALA A 10 -1.513 5.790 -14.299 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.031 5.661 -13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.620 8.101 -12.603 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.133 7.151 -12.372 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.357 8.106 -13.857 1.00 0.00 H new ATOM 174 N LEU A 11 -5.816 6.267 -14.594 1.00 0.00 N ATOM 175 CA LEU A 11 -6.985 6.686 -15.437 1.00 0.00 C ATOM 176 C LEU A 11 -7.504 8.063 -14.984 1.00 0.00 C ATOM 177 O LEU A 11 -7.454 9.015 -15.740 1.00 0.00 O ATOM 178 CB LEU A 11 -8.106 5.605 -15.304 1.00 0.00 C ATOM 179 CG LEU A 11 -8.845 5.362 -16.659 1.00 0.00 C ATOM 180 CD1 LEU A 11 -9.552 6.666 -17.148 1.00 0.00 C ATOM 181 CD2 LEU A 11 -7.867 4.811 -17.748 1.00 0.00 C ATOM 0 H LEU A 11 -6.040 5.578 -13.876 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.680 6.771 -16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.668 4.669 -14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.826 5.920 -14.549 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.611 4.605 -16.490 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.060 6.472 -18.093 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.281 6.986 -16.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.809 7.451 -17.289 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.411 4.652 -18.679 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.065 5.530 -17.914 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.442 3.866 -17.411 1.00 0.00 H new ATOM 193 N TYR A 12 -7.983 8.118 -13.766 1.00 0.00 N ATOM 194 CA TYR A 12 -8.557 9.384 -13.206 1.00 0.00 C ATOM 195 C TYR A 12 -7.563 10.034 -12.235 1.00 0.00 C ATOM 196 O TYR A 12 -6.868 9.350 -11.510 1.00 0.00 O ATOM 197 CB TYR A 12 -9.873 9.049 -12.470 1.00 0.00 C ATOM 198 CG TYR A 12 -11.044 9.237 -13.443 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.641 10.474 -13.579 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.510 8.177 -14.196 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.689 10.650 -14.456 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.558 8.354 -15.074 1.00 0.00 C ATOM 203 CZ TYR A 12 -13.155 9.591 -15.210 1.00 0.00 C ATOM 204 OH TYR A 12 -14.204 9.765 -16.090 1.00 0.00 O ATOM 0 H TYR A 12 -8.001 7.326 -13.124 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.754 10.086 -14.016 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.849 8.023 -12.102 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.996 9.697 -11.602 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.284 11.309 -12.994 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.051 7.204 -14.096 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.149 11.622 -14.554 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.914 7.519 -15.659 1.00 0.00 H new ATOM 0 HH TYR A 12 -14.400 8.915 -16.538 1.00 0.00 H new ATOM 214 N ASP A 13 -7.535 11.344 -12.267 1.00 0.00 N ATOM 215 CA ASP A 13 -6.748 12.129 -11.267 1.00 0.00 C ATOM 216 C ASP A 13 -7.319 11.955 -9.852 1.00 0.00 C ATOM 217 O ASP A 13 -8.454 12.303 -9.595 1.00 0.00 O ATOM 218 CB ASP A 13 -6.778 13.619 -11.665 1.00 0.00 C ATOM 219 CG ASP A 13 -6.009 14.444 -10.611 1.00 0.00 C ATOM 220 OD1 ASP A 13 -4.796 14.491 -10.727 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.679 14.981 -9.744 1.00 0.00 O ATOM 0 H ASP A 13 -8.032 11.910 -12.955 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.721 11.762 -11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.328 13.754 -12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.808 13.968 -11.736 1.00 0.00 H new ATOM 226 N TYR A 14 -6.495 11.419 -8.991 1.00 0.00 N ATOM 227 CA TYR A 14 -6.871 11.213 -7.559 1.00 0.00 C ATOM 228 C TYR A 14 -5.768 11.795 -6.664 1.00 0.00 C ATOM 229 O TYR A 14 -4.613 11.469 -6.834 1.00 0.00 O ATOM 230 CB TYR A 14 -7.036 9.699 -7.341 1.00 0.00 C ATOM 231 CG TYR A 14 -6.975 9.329 -5.849 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.078 9.457 -5.029 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.796 8.859 -5.313 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.001 9.117 -3.692 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.721 8.522 -3.985 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.818 8.646 -3.159 1.00 0.00 C ATOM 237 OH TYR A 14 -6.724 8.300 -1.825 1.00 0.00 O ATOM 0 H TYR A 14 -5.553 11.107 -9.226 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.804 11.718 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.989 9.373 -7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.253 9.166 -7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.008 9.826 -5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.925 8.755 -5.943 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.871 9.220 -3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.789 8.154 -3.581 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.096 7.555 -1.724 1.00 0.00 H new ATOM 247 N LYS A 15 -6.149 12.626 -5.731 1.00 0.00 N ATOM 248 CA LYS A 15 -5.161 13.227 -4.783 1.00 0.00 C ATOM 249 C LYS A 15 -5.036 12.294 -3.570 1.00 0.00 C ATOM 250 O LYS A 15 -5.798 11.357 -3.437 1.00 0.00 O ATOM 251 CB LYS A 15 -5.689 14.607 -4.362 1.00 0.00 C ATOM 252 CG LYS A 15 -4.954 15.736 -5.123 1.00 0.00 C ATOM 253 CD LYS A 15 -5.788 17.035 -5.000 1.00 0.00 C ATOM 254 CE LYS A 15 -5.139 18.181 -5.809 1.00 0.00 C ATOM 255 NZ LYS A 15 -6.091 18.690 -6.839 1.00 0.00 N ATOM 0 H LYS A 15 -7.115 12.919 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.179 13.345 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.759 14.667 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.555 14.740 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.957 15.885 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.826 15.466 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.801 16.858 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.868 17.323 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.850 18.991 -5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.228 17.825 -6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.643 19.460 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.346 17.918 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.949 19.047 -6.372 1.00 0.00 H new ATOM 269 N LYS A 16 -4.085 12.574 -2.717 1.00 0.00 N ATOM 270 CA LYS A 16 -3.852 11.672 -1.547 1.00 0.00 C ATOM 271 C LYS A 16 -4.735 12.148 -0.385 1.00 0.00 C ATOM 272 O LYS A 16 -4.831 13.331 -0.121 1.00 0.00 O ATOM 273 CB LYS A 16 -2.344 11.726 -1.161 1.00 0.00 C ATOM 274 CG LYS A 16 -1.950 13.103 -0.566 1.00 0.00 C ATOM 275 CD LYS A 16 -0.413 13.201 -0.435 1.00 0.00 C ATOM 276 CE LYS A 16 -0.046 14.195 0.684 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.248 13.563 2.020 1.00 0.00 N ATOM 0 H LYS A 16 -3.464 13.381 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.110 10.641 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.126 10.941 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.736 11.524 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.321 13.904 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.416 13.233 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.005 12.219 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.022 13.527 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.992 14.509 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.661 15.091 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.203 14.148 2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.266 13.486 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.178 12.614 2.023 1.00 0.00 H new ATOM 291 N GLU A 17 -5.354 11.196 0.265 1.00 0.00 N ATOM 292 CA GLU A 17 -6.253 11.495 1.428 1.00 0.00 C ATOM 293 C GLU A 17 -5.791 10.697 2.660 1.00 0.00 C ATOM 294 O GLU A 17 -6.295 10.894 3.750 1.00 0.00 O ATOM 295 CB GLU A 17 -7.709 11.112 1.045 1.00 0.00 C ATOM 296 CG GLU A 17 -8.698 12.200 1.545 1.00 0.00 C ATOM 297 CD GLU A 17 -10.139 11.651 1.623 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.577 11.087 0.633 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.730 11.828 2.677 1.00 0.00 O ATOM 0 H GLU A 17 -5.275 10.205 0.037 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.211 12.557 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.792 11.004 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.966 10.147 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.387 12.554 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.669 13.058 0.873 1.00 0.00 H new ATOM 306 N ARG A 18 -4.843 9.821 2.433 1.00 0.00 N ATOM 307 CA ARG A 18 -4.214 9.030 3.534 1.00 0.00 C ATOM 308 C ARG A 18 -2.686 9.137 3.425 1.00 0.00 C ATOM 309 O ARG A 18 -2.138 9.153 2.339 1.00 0.00 O ATOM 310 CB ARG A 18 -4.672 7.561 3.400 1.00 0.00 C ATOM 311 CG ARG A 18 -4.833 6.904 4.792 1.00 0.00 C ATOM 312 CD ARG A 18 -6.011 7.540 5.573 1.00 0.00 C ATOM 313 NE ARG A 18 -6.763 6.452 6.271 1.00 0.00 N ATOM 314 CZ ARG A 18 -7.841 5.949 5.730 1.00 0.00 C ATOM 315 NH1 ARG A 18 -7.726 4.952 4.897 1.00 0.00 N ATOM 316 NH2 ARG A 18 -9.002 6.456 6.042 1.00 0.00 N ATOM 0 H ARG A 18 -4.470 9.617 1.506 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.516 9.414 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.619 7.519 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.945 7.001 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.005 5.834 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.911 7.019 5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.638 8.266 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.670 8.078 4.892 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.434 6.102 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.804 4.576 4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.558 4.549 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.059 7.234 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.853 6.075 5.628 1.00 0.00 H new ATOM 330 N GLU A 19 -2.058 9.202 4.572 1.00 0.00 N ATOM 331 CA GLU A 19 -0.562 9.144 4.673 1.00 0.00 C ATOM 332 C GLU A 19 0.047 7.864 4.066 1.00 0.00 C ATOM 333 O GLU A 19 1.251 7.768 3.910 1.00 0.00 O ATOM 334 CB GLU A 19 -0.173 9.252 6.163 1.00 0.00 C ATOM 335 CG GLU A 19 -0.973 8.221 7.009 1.00 0.00 C ATOM 336 CD GLU A 19 -0.073 7.628 8.106 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.265 8.391 8.998 1.00 0.00 O ATOM 338 OE2 GLU A 19 0.227 6.449 7.992 1.00 0.00 O ATOM 0 H GLU A 19 -2.532 9.296 5.470 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.159 9.974 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.896 9.076 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.371 10.261 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.840 8.703 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.349 7.425 6.366 1.00 0.00 H new ATOM 345 N GLU A 20 -0.809 6.929 3.748 1.00 0.00 N ATOM 346 CA GLU A 20 -0.392 5.672 3.048 1.00 0.00 C ATOM 347 C GLU A 20 -0.470 5.834 1.519 1.00 0.00 C ATOM 348 O GLU A 20 0.368 5.318 0.805 1.00 0.00 O ATOM 349 CB GLU A 20 -1.323 4.525 3.520 1.00 0.00 C ATOM 350 CG GLU A 20 -0.501 3.416 4.208 1.00 0.00 C ATOM 351 CD GLU A 20 0.081 3.949 5.536 1.00 0.00 C ATOM 352 OE1 GLU A 20 -0.684 4.005 6.486 1.00 0.00 O ATOM 353 OE2 GLU A 20 1.259 4.272 5.529 1.00 0.00 O ATOM 0 H GLU A 20 -1.808 6.984 3.949 1.00 0.00 H new ATOM 0 HA GLU A 20 0.645 5.444 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.070 4.915 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.862 4.112 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.131 2.547 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.305 3.087 3.552 1.00 0.00 H new ATOM 360 N ASP A 21 -1.477 6.544 1.068 1.00 0.00 N ATOM 361 CA ASP A 21 -1.659 6.769 -0.404 1.00 0.00 C ATOM 362 C ASP A 21 -0.859 8.000 -0.863 1.00 0.00 C ATOM 363 O ASP A 21 -0.725 8.958 -0.128 1.00 0.00 O ATOM 364 CB ASP A 21 -3.164 6.970 -0.684 1.00 0.00 C ATOM 365 CG ASP A 21 -3.520 6.609 -2.143 1.00 0.00 C ATOM 366 OD1 ASP A 21 -2.752 6.950 -3.029 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.564 6.003 -2.306 1.00 0.00 O ATOM 0 H ASP A 21 -2.185 6.980 1.659 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.290 5.906 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.748 6.352 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.437 8.007 -0.487 1.00 0.00 H new ATOM 372 N ILE A 22 -0.351 7.923 -2.069 1.00 0.00 N ATOM 373 CA ILE A 22 0.340 9.088 -2.714 1.00 0.00 C ATOM 374 C ILE A 22 -0.580 9.824 -3.694 1.00 0.00 C ATOM 375 O ILE A 22 -1.725 9.458 -3.881 1.00 0.00 O ATOM 376 CB ILE A 22 1.614 8.580 -3.475 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.338 7.210 -4.179 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.775 8.442 -2.464 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.277 7.008 -5.389 1.00 0.00 C ATOM 0 H ILE A 22 -0.386 7.084 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 22 0.621 9.789 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 22 1.881 9.300 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.477 6.397 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.300 7.170 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.667 8.089 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.978 9.411 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.499 7.728 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.063 6.048 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.118 7.809 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.313 7.024 -5.052 1.00 0.00 H new ATOM 391 N ASP A 23 -0.031 10.853 -4.293 1.00 0.00 N ATOM 392 CA ASP A 23 -0.791 11.641 -5.310 1.00 0.00 C ATOM 393 C ASP A 23 -0.780 10.917 -6.654 1.00 0.00 C ATOM 394 O ASP A 23 0.224 10.368 -7.068 1.00 0.00 O ATOM 395 CB ASP A 23 -0.148 13.031 -5.471 1.00 0.00 C ATOM 396 CG ASP A 23 -0.314 13.828 -4.167 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.456 14.009 -3.772 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.717 14.213 -3.637 1.00 0.00 O ATOM 0 H ASP A 23 0.919 11.182 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.822 11.750 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.909 12.928 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.615 13.566 -6.298 1.00 0.00 H new ATOM 403 N LEU A 24 -1.925 10.953 -7.277 1.00 0.00 N ATOM 404 CA LEU A 24 -2.123 10.305 -8.604 1.00 0.00 C ATOM 405 C LEU A 24 -2.699 11.341 -9.565 1.00 0.00 C ATOM 406 O LEU A 24 -3.661 12.022 -9.269 1.00 0.00 O ATOM 407 CB LEU A 24 -3.107 9.113 -8.468 1.00 0.00 C ATOM 408 CG LEU A 24 -2.569 8.059 -7.461 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.602 6.896 -7.321 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.193 7.494 -7.920 1.00 0.00 C ATOM 0 H LEU A 24 -2.755 11.418 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.171 9.931 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.080 9.476 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.257 8.647 -9.442 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.429 8.545 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.224 6.157 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.550 7.293 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.754 6.425 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.842 6.759 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.302 7.019 -8.895 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.471 8.307 -7.991 1.00 0.00 H new ATOM 422 N HIS A 25 -2.067 11.420 -10.701 1.00 0.00 N ATOM 423 CA HIS A 25 -2.504 12.375 -11.759 1.00 0.00 C ATOM 424 C HIS A 25 -2.314 11.707 -13.113 1.00 0.00 C ATOM 425 O HIS A 25 -1.610 10.722 -13.226 1.00 0.00 O ATOM 426 CB HIS A 25 -1.668 13.700 -11.696 1.00 0.00 C ATOM 427 CG HIS A 25 -0.437 13.629 -10.788 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.383 13.225 -9.559 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.862 13.985 -11.081 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.833 13.318 -9.122 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.644 13.787 -10.038 1.00 0.00 N ATOM 0 H HIS A 25 -1.254 10.855 -10.946 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.552 12.633 -11.605 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.346 13.960 -12.704 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.314 14.507 -11.349 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.193 14.372 -12.033 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.141 13.042 -8.124 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.647 13.959 -9.962 1.00 0.00 H new ATOM 439 N LEU A 26 -2.956 12.262 -14.110 1.00 0.00 N ATOM 440 CA LEU A 26 -2.796 11.728 -15.496 1.00 0.00 C ATOM 441 C LEU A 26 -1.313 11.659 -15.892 1.00 0.00 C ATOM 442 O LEU A 26 -0.500 12.444 -15.441 1.00 0.00 O ATOM 443 CB LEU A 26 -3.580 12.652 -16.459 1.00 0.00 C ATOM 444 CG LEU A 26 -5.118 12.386 -16.305 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.927 13.711 -16.448 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.592 11.338 -17.358 1.00 0.00 C ATOM 0 H LEU A 26 -3.584 13.061 -14.024 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.189 10.713 -15.549 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.357 13.696 -16.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.270 12.469 -17.488 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.300 11.985 -15.308 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.991 13.501 -16.338 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.614 14.414 -15.676 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.743 14.145 -17.431 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.661 11.162 -17.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.394 11.715 -18.361 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.052 10.403 -17.209 1.00 0.00 H new ATOM 458 N GLY A 27 -1.011 10.697 -16.726 1.00 0.00 N ATOM 459 CA GLY A 27 0.388 10.518 -17.218 1.00 0.00 C ATOM 460 C GLY A 27 1.308 9.844 -16.199 1.00 0.00 C ATOM 461 O GLY A 27 2.386 9.400 -16.549 1.00 0.00 O ATOM 0 H GLY A 27 -1.682 10.021 -17.091 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.371 9.923 -18.131 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.801 11.492 -17.481 1.00 0.00 H new ATOM 465 N ASP A 28 0.857 9.786 -14.973 1.00 0.00 N ATOM 466 CA ASP A 28 1.600 8.985 -13.944 1.00 0.00 C ATOM 467 C ASP A 28 1.510 7.503 -14.329 1.00 0.00 C ATOM 468 O ASP A 28 0.428 6.948 -14.381 1.00 0.00 O ATOM 469 CB ASP A 28 0.966 9.188 -12.550 1.00 0.00 C ATOM 470 CG ASP A 28 1.213 10.612 -12.017 1.00 0.00 C ATOM 471 OD1 ASP A 28 1.034 11.543 -12.788 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.571 10.684 -10.853 1.00 0.00 O ATOM 0 H ASP A 28 0.014 10.253 -14.638 1.00 0.00 H new ATOM 0 HA ASP A 28 2.640 9.310 -13.907 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.106 9.001 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.380 8.461 -11.852 1.00 0.00 H new ATOM 477 N ILE A 29 2.647 6.912 -14.589 1.00 0.00 N ATOM 478 CA ILE A 29 2.730 5.422 -14.701 1.00 0.00 C ATOM 479 C ILE A 29 3.319 4.842 -13.400 1.00 0.00 C ATOM 480 O ILE A 29 4.118 5.474 -12.735 1.00 0.00 O ATOM 481 CB ILE A 29 3.609 5.113 -15.980 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.891 4.073 -16.881 1.00 0.00 C ATOM 483 CG2 ILE A 29 5.083 4.663 -15.690 1.00 0.00 C ATOM 484 CD1 ILE A 29 1.738 4.751 -17.658 1.00 0.00 C ATOM 0 H ILE A 29 3.531 7.401 -14.730 1.00 0.00 H new ATOM 0 HA ILE A 29 1.754 4.953 -14.823 1.00 0.00 H new ATOM 0 HB ILE A 29 3.707 6.068 -16.497 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.602 3.633 -17.580 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.500 3.259 -16.270 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.598 4.476 -16.632 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.602 5.449 -15.142 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.074 3.750 -15.094 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.240 4.013 -18.287 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.020 5.169 -16.952 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.140 5.549 -18.283 1.00 0.00 H new ATOM 496 N LEU A 30 2.890 3.649 -13.086 1.00 0.00 N ATOM 497 CA LEU A 30 3.347 2.937 -11.850 1.00 0.00 C ATOM 498 C LEU A 30 3.982 1.599 -12.280 1.00 0.00 C ATOM 499 O LEU A 30 3.646 1.078 -13.325 1.00 0.00 O ATOM 500 CB LEU A 30 2.118 2.689 -10.934 1.00 0.00 C ATOM 501 CG LEU A 30 1.794 3.913 -10.016 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.292 5.123 -10.839 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.678 3.500 -9.014 1.00 0.00 C ATOM 0 H LEU A 30 2.223 3.121 -13.649 1.00 0.00 H new ATOM 0 HA LEU A 30 4.080 3.528 -11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.249 2.463 -11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.304 1.813 -10.313 1.00 0.00 H new ATOM 0 HG LEU A 30 2.707 4.204 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.077 5.955 -10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.060 5.421 -11.553 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.385 4.846 -11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.440 4.344 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.214 3.203 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.025 2.663 -8.408 1.00 0.00 H new ATOM 515 N THR A 31 4.876 1.083 -11.468 1.00 0.00 N ATOM 516 CA THR A 31 5.581 -0.207 -11.801 1.00 0.00 C ATOM 517 C THR A 31 5.664 -1.097 -10.551 1.00 0.00 C ATOM 518 O THR A 31 5.811 -0.596 -9.451 1.00 0.00 O ATOM 519 CB THR A 31 7.013 0.106 -12.316 1.00 0.00 C ATOM 520 OG1 THR A 31 6.855 1.106 -13.314 1.00 0.00 O ATOM 521 CG2 THR A 31 7.636 -1.102 -13.069 1.00 0.00 C ATOM 0 H THR A 31 5.153 1.501 -10.580 1.00 0.00 H new ATOM 0 HA THR A 31 5.022 -0.733 -12.575 1.00 0.00 H new ATOM 0 HB THR A 31 7.640 0.379 -11.467 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.580 1.761 -13.238 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.637 -0.840 -13.412 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.695 -1.958 -12.397 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.014 -1.356 -13.927 1.00 0.00 H new ATOM 529 N VAL A 32 5.566 -2.387 -10.768 1.00 0.00 N ATOM 530 CA VAL A 32 5.647 -3.385 -9.647 1.00 0.00 C ATOM 531 C VAL A 32 6.809 -4.360 -9.942 1.00 0.00 C ATOM 532 O VAL A 32 7.812 -3.964 -10.506 1.00 0.00 O ATOM 533 CB VAL A 32 4.259 -4.148 -9.544 1.00 0.00 C ATOM 534 CG1 VAL A 32 4.049 -4.708 -8.092 1.00 0.00 C ATOM 535 CG2 VAL A 32 3.080 -3.204 -9.919 1.00 0.00 C ATOM 0 H VAL A 32 5.431 -2.800 -11.691 1.00 0.00 H new ATOM 0 HA VAL A 32 5.840 -2.895 -8.693 1.00 0.00 H new ATOM 0 HB VAL A 32 4.278 -4.980 -10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.093 -5.228 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.854 -5.402 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.054 -3.883 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.139 -3.749 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.064 -2.353 -9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.210 -2.848 -10.941 1.00 0.00 H new ATOM 545 N ASN A 33 6.644 -5.599 -9.557 1.00 0.00 N ATOM 546 CA ASN A 33 7.721 -6.631 -9.679 1.00 0.00 C ATOM 547 C ASN A 33 7.409 -7.546 -10.863 1.00 0.00 C ATOM 548 O ASN A 33 6.550 -7.227 -11.656 1.00 0.00 O ATOM 549 CB ASN A 33 7.766 -7.414 -8.335 1.00 0.00 C ATOM 550 CG ASN A 33 8.923 -6.901 -7.468 1.00 0.00 C ATOM 551 OD1 ASN A 33 10.082 -7.057 -7.797 1.00 0.00 O ATOM 552 ND2 ASN A 33 8.651 -6.286 -6.347 1.00 0.00 N ATOM 0 H ASN A 33 5.778 -5.951 -9.149 1.00 0.00 H new ATOM 0 HA ASN A 33 8.696 -6.182 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.822 -7.295 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.891 -8.479 -8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.409 -5.942 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.681 -6.150 -6.062 1.00 0.00 H new ATOM 737 N GLU A 47 -2.323 -10.176 -11.871 1.00 0.00 N ATOM 738 CA GLU A 47 -2.012 -8.718 -11.732 1.00 0.00 C ATOM 739 C GLU A 47 -2.401 -7.944 -13.010 1.00 0.00 C ATOM 740 O GLU A 47 -2.016 -6.803 -13.186 1.00 0.00 O ATOM 741 CB GLU A 47 -0.489 -8.538 -11.449 1.00 0.00 C ATOM 742 CG GLU A 47 0.108 -9.667 -10.555 1.00 0.00 C ATOM 743 CD GLU A 47 -0.822 -10.014 -9.370 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.003 -9.140 -8.539 1.00 0.00 O ATOM 745 OE2 GLU A 47 -1.305 -11.133 -9.354 1.00 0.00 O ATOM 0 HA GLU A 47 -2.593 -8.317 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.049 -8.511 -12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.328 -7.576 -10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.275 -10.559 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.080 -9.353 -10.174 1.00 0.00 H new ATOM 752 N ALA A 48 -3.156 -8.587 -13.868 1.00 0.00 N ATOM 753 CA ALA A 48 -3.727 -7.907 -15.074 1.00 0.00 C ATOM 754 C ALA A 48 -5.214 -7.563 -14.886 1.00 0.00 C ATOM 755 O ALA A 48 -5.845 -7.085 -15.809 1.00 0.00 O ATOM 756 CB ALA A 48 -3.539 -8.847 -16.291 1.00 0.00 C ATOM 0 H ALA A 48 -3.405 -9.572 -13.782 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.204 -6.964 -15.234 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.948 -8.373 -17.183 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.477 -9.043 -16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.060 -9.787 -16.109 1.00 0.00 H new ATOM 762 N LYS A 49 -5.725 -7.807 -13.702 1.00 0.00 N ATOM 763 CA LYS A 49 -7.180 -7.581 -13.409 1.00 0.00 C ATOM 764 C LYS A 49 -7.319 -6.680 -12.152 1.00 0.00 C ATOM 765 O LYS A 49 -7.626 -7.162 -11.079 1.00 0.00 O ATOM 766 CB LYS A 49 -7.844 -8.983 -13.195 1.00 0.00 C ATOM 767 CG LYS A 49 -8.885 -9.291 -14.297 1.00 0.00 C ATOM 768 CD LYS A 49 -8.171 -9.759 -15.585 1.00 0.00 C ATOM 769 CE LYS A 49 -9.215 -10.130 -16.655 1.00 0.00 C ATOM 770 NZ LYS A 49 -8.570 -10.939 -17.729 1.00 0.00 N ATOM 0 H LYS A 49 -5.186 -8.160 -12.911 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.680 -7.071 -14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.074 -9.755 -13.194 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.327 -9.013 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.573 -10.063 -13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.481 -8.402 -14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.519 -8.969 -15.958 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.537 -10.619 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.030 -10.694 -16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.651 -9.226 -17.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.278 -11.187 -18.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.807 -10.386 -18.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.174 -11.809 -17.318 1.00 0.00 H new ATOM 784 N PRO A 50 -7.089 -5.389 -12.306 1.00 0.00 N ATOM 785 CA PRO A 50 -7.336 -4.398 -11.216 1.00 0.00 C ATOM 786 C PRO A 50 -8.821 -4.276 -10.812 1.00 0.00 C ATOM 787 O PRO A 50 -9.145 -3.556 -9.886 1.00 0.00 O ATOM 788 CB PRO A 50 -6.780 -3.067 -11.739 1.00 0.00 C ATOM 789 CG PRO A 50 -6.314 -3.296 -13.201 1.00 0.00 C ATOM 790 CD PRO A 50 -6.561 -4.771 -13.551 1.00 0.00 C ATOM 0 HA PRO A 50 -6.843 -4.719 -10.298 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.544 -2.290 -11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.948 -2.730 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.862 -2.645 -13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.257 -3.051 -13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.274 -4.866 -14.370 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.640 -5.258 -13.872 1.00 0.00 H new ATOM 798 N GLU A 51 -9.669 -4.984 -11.516 1.00 0.00 N ATOM 799 CA GLU A 51 -11.145 -4.902 -11.274 1.00 0.00 C ATOM 800 C GLU A 51 -11.523 -5.576 -9.947 1.00 0.00 C ATOM 801 O GLU A 51 -12.318 -5.053 -9.190 1.00 0.00 O ATOM 802 CB GLU A 51 -11.877 -5.595 -12.438 1.00 0.00 C ATOM 803 CG GLU A 51 -11.674 -4.809 -13.752 1.00 0.00 C ATOM 804 CD GLU A 51 -12.577 -3.559 -13.770 1.00 0.00 C ATOM 805 OE1 GLU A 51 -13.732 -3.729 -14.131 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.064 -2.506 -13.422 1.00 0.00 O ATOM 0 H GLU A 51 -9.397 -5.626 -12.261 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.438 -3.854 -11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.504 -6.612 -12.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.941 -5.669 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.629 -4.513 -13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.906 -5.446 -14.605 1.00 0.00 H new ATOM 813 N GLU A 52 -10.937 -6.723 -9.713 1.00 0.00 N ATOM 814 CA GLU A 52 -11.246 -7.512 -8.476 1.00 0.00 C ATOM 815 C GLU A 52 -10.317 -7.123 -7.317 1.00 0.00 C ATOM 816 O GLU A 52 -10.672 -7.293 -6.167 1.00 0.00 O ATOM 817 CB GLU A 52 -11.095 -9.013 -8.800 1.00 0.00 C ATOM 818 CG GLU A 52 -9.693 -9.306 -9.385 1.00 0.00 C ATOM 819 CD GLU A 52 -9.438 -10.822 -9.399 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.087 -11.324 -8.343 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.606 -11.395 -10.464 1.00 0.00 O ATOM 0 H GLU A 52 -10.250 -7.153 -10.332 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.267 -7.295 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.248 -9.603 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.863 -9.316 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.621 -8.907 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.929 -8.805 -8.790 1.00 0.00 H new ATOM 828 N ILE A 53 -9.158 -6.612 -7.655 1.00 0.00 N ATOM 829 CA ILE A 53 -8.174 -6.201 -6.603 1.00 0.00 C ATOM 830 C ILE A 53 -8.646 -4.876 -5.981 1.00 0.00 C ATOM 831 O ILE A 53 -9.174 -4.026 -6.675 1.00 0.00 O ATOM 832 CB ILE A 53 -6.773 -6.013 -7.246 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.395 -7.291 -8.055 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.723 -5.771 -6.117 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.073 -7.090 -8.828 1.00 0.00 C ATOM 0 H ILE A 53 -8.850 -6.461 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.107 -6.968 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.787 -5.157 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.298 -8.139 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.196 -7.532 -8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.736 -5.638 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.992 -4.876 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.706 -6.629 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.834 -7.997 -9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.181 -6.257 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.269 -6.873 -8.124 1.00 0.00 H new ATOM 847 N GLY A 54 -8.439 -4.749 -4.694 1.00 0.00 N ATOM 848 CA GLY A 54 -8.820 -3.491 -3.987 1.00 0.00 C ATOM 849 C GLY A 54 -7.640 -2.527 -4.028 1.00 0.00 C ATOM 850 O GLY A 54 -7.492 -1.749 -4.951 1.00 0.00 O ATOM 0 H GLY A 54 -8.021 -5.466 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.692 -3.041 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.095 -3.707 -2.955 1.00 0.00 H new ATOM 854 N TRP A 55 -6.840 -2.634 -3.008 1.00 0.00 N ATOM 855 CA TRP A 55 -5.656 -1.740 -2.844 1.00 0.00 C ATOM 856 C TRP A 55 -4.397 -2.408 -3.412 1.00 0.00 C ATOM 857 O TRP A 55 -4.038 -3.498 -3.012 1.00 0.00 O ATOM 858 CB TRP A 55 -5.514 -1.447 -1.347 1.00 0.00 C ATOM 859 CG TRP A 55 -6.549 -0.373 -0.991 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.771 -0.596 -0.429 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.398 0.950 -1.195 1.00 0.00 C ATOM 862 NE1 TRP A 55 -8.275 0.615 -0.335 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.527 1.615 -0.767 1.00 0.00 C ATOM 864 CE3 TRP A 55 -5.341 1.657 -1.729 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.603 2.986 -0.877 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.418 3.022 -1.835 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.546 3.688 -1.411 1.00 0.00 C ATOM 0 H TRP A 55 -6.957 -3.319 -2.262 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.789 -0.808 -3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.681 -2.351 -0.761 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.506 -1.100 -1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.215 -1.535 -0.134 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.204 0.776 0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.455 1.137 -2.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.488 3.508 -0.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.591 3.577 -2.253 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.602 4.763 -1.497 1.00 0.00 H new ATOM 878 N LEU A 56 -3.767 -1.726 -4.335 1.00 0.00 N ATOM 879 CA LEU A 56 -2.429 -2.160 -4.850 1.00 0.00 C ATOM 880 C LEU A 56 -1.298 -1.429 -4.111 1.00 0.00 C ATOM 881 O LEU A 56 -1.538 -0.524 -3.336 1.00 0.00 O ATOM 882 CB LEU A 56 -2.339 -1.848 -6.351 1.00 0.00 C ATOM 883 CG LEU A 56 -3.484 -2.558 -7.133 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.683 -1.589 -7.324 1.00 0.00 C ATOM 885 CD2 LEU A 56 -2.981 -3.082 -8.516 1.00 0.00 C ATOM 0 H LEU A 56 -4.128 -0.873 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.320 -3.231 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.399 -0.771 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.373 -2.173 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.813 -3.417 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.477 -2.096 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.057 -1.276 -6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.357 -0.713 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.801 -3.573 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.619 -2.245 -9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.171 -3.795 -8.362 1.00 0.00 H new ATOM 897 N ASN A 57 -0.100 -1.866 -4.401 1.00 0.00 N ATOM 898 CA ASN A 57 1.126 -1.356 -3.715 1.00 0.00 C ATOM 899 C ASN A 57 2.254 -1.341 -4.756 1.00 0.00 C ATOM 900 O ASN A 57 2.757 -2.382 -5.138 1.00 0.00 O ATOM 901 CB ASN A 57 1.496 -2.300 -2.546 1.00 0.00 C ATOM 902 CG ASN A 57 1.037 -1.724 -1.199 1.00 0.00 C ATOM 903 OD1 ASN A 57 1.817 -1.557 -0.283 1.00 0.00 O ATOM 904 ND2 ASN A 57 -0.217 -1.403 -1.035 1.00 0.00 N ATOM 0 H ASN A 57 0.085 -2.578 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 57 0.963 -0.357 -3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.035 -3.275 -2.703 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.575 -2.456 -2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.532 -1.017 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.882 -1.538 -1.797 1.00 0.00 H new ATOM 911 N GLY A 58 2.618 -0.161 -5.184 1.00 0.00 N ATOM 912 CA GLY A 58 3.655 -0.037 -6.257 1.00 0.00 C ATOM 913 C GLY A 58 4.445 1.264 -6.125 1.00 0.00 C ATOM 914 O GLY A 58 4.249 2.028 -5.198 1.00 0.00 O ATOM 0 H GLY A 58 2.244 0.723 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.338 -0.885 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.175 -0.075 -7.235 1.00 0.00 H new ATOM 918 N TYR A 59 5.324 1.460 -7.077 1.00 0.00 N ATOM 919 CA TYR A 59 6.176 2.688 -7.109 1.00 0.00 C ATOM 920 C TYR A 59 5.702 3.635 -8.223 1.00 0.00 C ATOM 921 O TYR A 59 5.129 3.213 -9.208 1.00 0.00 O ATOM 922 CB TYR A 59 7.641 2.267 -7.360 1.00 0.00 C ATOM 923 CG TYR A 59 8.369 2.025 -6.027 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.980 1.000 -5.186 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.428 2.829 -5.652 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.638 0.782 -3.994 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.086 2.612 -4.461 1.00 0.00 C ATOM 928 CZ TYR A 59 9.695 1.586 -3.623 1.00 0.00 C ATOM 929 OH TYR A 59 10.353 1.363 -2.429 1.00 0.00 O ATOM 0 H TYR A 59 5.489 0.810 -7.845 1.00 0.00 H new ATOM 0 HA TYR A 59 6.099 3.213 -6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.666 1.360 -7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.156 3.043 -7.927 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.153 0.364 -5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.743 3.635 -6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.324 -0.023 -3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.913 3.248 -4.181 1.00 0.00 H new ATOM 0 HH TYR A 59 11.073 2.020 -2.324 1.00 0.00 H new ATOM 939 N ASN A 60 5.975 4.892 -7.999 1.00 0.00 N ATOM 940 CA ASN A 60 5.570 6.005 -8.909 1.00 0.00 C ATOM 941 C ASN A 60 6.852 6.776 -9.299 1.00 0.00 C ATOM 942 O ASN A 60 6.994 7.953 -9.025 1.00 0.00 O ATOM 943 CB ASN A 60 4.564 6.873 -8.118 1.00 0.00 C ATOM 944 CG ASN A 60 3.675 7.718 -9.039 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.114 8.646 -9.685 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.406 7.425 -9.116 1.00 0.00 N ATOM 0 H ASN A 60 6.490 5.208 -7.177 1.00 0.00 H new ATOM 0 HA ASN A 60 5.093 5.671 -9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.937 6.228 -7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.109 7.530 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.791 7.975 -9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.029 6.646 -8.576 1.00 0.00 H new ATOM 953 N GLU A 61 7.743 6.045 -9.934 1.00 0.00 N ATOM 954 CA GLU A 61 9.059 6.582 -10.441 1.00 0.00 C ATOM 955 C GLU A 61 8.926 7.959 -11.113 1.00 0.00 C ATOM 956 O GLU A 61 9.800 8.796 -10.993 1.00 0.00 O ATOM 957 CB GLU A 61 9.652 5.584 -11.463 1.00 0.00 C ATOM 958 CG GLU A 61 9.912 4.212 -10.803 1.00 0.00 C ATOM 959 CD GLU A 61 10.269 3.170 -11.884 1.00 0.00 C ATOM 960 OE1 GLU A 61 9.332 2.597 -12.420 1.00 0.00 O ATOM 961 OE2 GLU A 61 11.458 3.004 -12.112 1.00 0.00 O ATOM 0 H GLU A 61 7.607 5.054 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 61 9.712 6.702 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.966 5.465 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.583 5.981 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.725 4.294 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.028 3.890 -10.252 1.00 0.00 H new ATOM 968 N THR A 62 7.827 8.129 -11.800 1.00 0.00 N ATOM 969 CA THR A 62 7.468 9.441 -12.430 1.00 0.00 C ATOM 970 C THR A 62 7.576 10.638 -11.472 1.00 0.00 C ATOM 971 O THR A 62 8.259 11.595 -11.780 1.00 0.00 O ATOM 972 CB THR A 62 6.022 9.344 -12.983 1.00 0.00 C ATOM 973 OG1 THR A 62 5.282 8.577 -12.037 1.00 0.00 O ATOM 974 CG2 THR A 62 5.990 8.511 -14.282 1.00 0.00 C ATOM 0 H THR A 62 7.140 7.391 -11.957 1.00 0.00 H new ATOM 0 HA THR A 62 8.189 9.625 -13.226 1.00 0.00 H new ATOM 0 HB THR A 62 5.634 10.347 -13.160 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.967 9.162 -11.316 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.967 8.455 -14.653 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.623 8.983 -15.033 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.357 7.505 -14.078 1.00 0.00 H new ATOM 982 N THR A 63 6.907 10.556 -10.350 1.00 0.00 N ATOM 983 CA THR A 63 7.074 11.595 -9.282 1.00 0.00 C ATOM 984 C THR A 63 8.137 11.172 -8.252 1.00 0.00 C ATOM 985 O THR A 63 8.365 11.866 -7.279 1.00 0.00 O ATOM 986 CB THR A 63 5.714 11.812 -8.582 1.00 0.00 C ATOM 987 OG1 THR A 63 5.353 10.541 -8.059 1.00 0.00 O ATOM 988 CG2 THR A 63 4.589 12.164 -9.587 1.00 0.00 C ATOM 0 H THR A 63 6.248 9.811 -10.124 1.00 0.00 H new ATOM 0 HA THR A 63 7.412 12.524 -9.742 1.00 0.00 H new ATOM 0 HB THR A 63 5.813 12.615 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.873 10.030 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.652 12.307 -9.049 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.848 13.081 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.475 11.351 -10.304 1.00 0.00 H new ATOM 996 N GLY A 64 8.752 10.042 -8.503 1.00 0.00 N ATOM 997 CA GLY A 64 9.724 9.450 -7.532 1.00 0.00 C ATOM 998 C GLY A 64 9.064 9.097 -6.192 1.00 0.00 C ATOM 999 O GLY A 64 9.743 8.908 -5.201 1.00 0.00 O ATOM 0 H GLY A 64 8.619 9.496 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.166 8.553 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.537 10.155 -7.360 1.00 0.00 H new ATOM 1003 N GLU A 65 7.758 9.019 -6.210 1.00 0.00 N ATOM 1004 CA GLU A 65 6.980 8.733 -4.966 1.00 0.00 C ATOM 1005 C GLU A 65 6.675 7.230 -4.918 1.00 0.00 C ATOM 1006 O GLU A 65 6.866 6.539 -5.899 1.00 0.00 O ATOM 1007 CB GLU A 65 5.684 9.560 -5.008 1.00 0.00 C ATOM 1008 CG GLU A 65 6.009 11.046 -4.711 1.00 0.00 C ATOM 1009 CD GLU A 65 5.701 11.348 -3.233 1.00 0.00 C ATOM 1010 OE1 GLU A 65 6.556 11.023 -2.425 1.00 0.00 O ATOM 1011 OE2 GLU A 65 4.632 11.885 -2.993 1.00 0.00 O ATOM 0 H GLU A 65 7.189 9.143 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 65 7.542 9.003 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.213 9.468 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.973 9.179 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.058 11.251 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.419 11.696 -5.358 1.00 0.00 H new ATOM 1018 N ARG A 66 6.215 6.764 -3.784 1.00 0.00 N ATOM 1019 CA ARG A 66 5.785 5.334 -3.662 1.00 0.00 C ATOM 1020 C ARG A 66 4.674 5.202 -2.616 1.00 0.00 C ATOM 1021 O ARG A 66 4.623 5.943 -1.654 1.00 0.00 O ATOM 1022 CB ARG A 66 6.992 4.461 -3.238 1.00 0.00 C ATOM 1023 CG ARG A 66 7.582 5.033 -1.936 1.00 0.00 C ATOM 1024 CD ARG A 66 8.574 4.057 -1.287 1.00 0.00 C ATOM 1025 NE ARG A 66 7.824 3.253 -0.275 1.00 0.00 N ATOM 1026 CZ ARG A 66 8.073 1.982 -0.116 1.00 0.00 C ATOM 1027 NH1 ARG A 66 9.248 1.612 0.314 1.00 0.00 N ATOM 1028 NH2 ARG A 66 7.133 1.123 -0.394 1.00 0.00 N ATOM 0 H ARG A 66 6.118 7.315 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 66 5.409 4.998 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.677 3.428 -3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.747 4.453 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.085 5.976 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.776 5.252 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.018 3.406 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.392 4.601 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 66 7.110 3.703 0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.959 2.313 0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.455 0.622 0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.226 1.450 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.304 0.124 -0.278 1.00 0.00 H new ATOM 1042 N GLY A 67 3.819 4.246 -2.848 1.00 0.00 N ATOM 1043 CA GLY A 67 2.704 3.975 -1.888 1.00 0.00 C ATOM 1044 C GLY A 67 1.586 3.145 -2.519 1.00 0.00 C ATOM 1045 O GLY A 67 1.797 2.429 -3.478 1.00 0.00 O ATOM 0 H GLY A 67 3.842 3.635 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.096 3.450 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.295 4.921 -1.532 1.00 0.00 H new ATOM 1049 N ASP A 68 0.419 3.281 -1.940 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.727 2.379 -2.280 1.00 0.00 C ATOM 1051 C ASP A 68 -1.745 3.187 -3.094 1.00 0.00 C ATOM 1052 O ASP A 68 -1.730 4.400 -3.069 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.403 1.855 -0.975 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.402 1.650 0.187 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.723 1.253 -0.085 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.827 1.908 1.301 1.00 0.00 O ATOM 0 H ASP A 68 0.208 3.988 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.369 1.524 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.173 2.561 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.904 0.910 -1.186 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.601 2.489 -3.796 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.613 3.175 -4.661 1.00 0.00 C ATOM 1063 C PHE A 69 -4.787 2.226 -4.975 1.00 0.00 C ATOM 1064 O PHE A 69 -4.588 1.028 -5.032 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.930 3.637 -5.972 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.206 2.482 -6.694 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.941 2.078 -6.303 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.815 1.845 -7.759 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.299 1.053 -6.965 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.175 0.821 -8.422 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.915 0.424 -8.028 1.00 0.00 C ATOM 0 H PHE A 69 -2.644 1.470 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.010 4.042 -4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.679 4.066 -6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.214 4.427 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.454 2.569 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.801 2.153 -8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.687 0.742 -6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.661 0.329 -9.251 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.412 -0.377 -8.549 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.977 2.761 -5.169 1.00 0.00 N ATOM 1082 CA PRO A 70 -7.141 1.954 -5.621 1.00 0.00 C ATOM 1083 C PRO A 70 -6.934 1.384 -7.038 1.00 0.00 C ATOM 1084 O PRO A 70 -6.311 2.015 -7.870 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.354 2.895 -5.560 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.832 4.294 -5.134 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.304 4.198 -4.964 1.00 0.00 C ATOM 0 HA PRO A 70 -7.283 1.082 -4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.848 2.948 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.091 2.526 -4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.086 5.041 -5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.301 4.608 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.787 4.827 -5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.996 4.534 -3.974 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.465 0.206 -7.262 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.369 -0.443 -8.609 1.00 0.00 C ATOM 1097 C GLY A 71 -8.533 -0.045 -9.533 1.00 0.00 C ATOM 1098 O GLY A 71 -8.665 -0.593 -10.608 1.00 0.00 O ATOM 0 H GLY A 71 -7.966 -0.340 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.425 -0.165 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.358 -1.526 -8.488 1.00 0.00 H new ATOM 1102 N THR A 72 -9.344 0.889 -9.095 1.00 0.00 N ATOM 1103 CA THR A 72 -10.458 1.411 -9.948 1.00 0.00 C ATOM 1104 C THR A 72 -10.031 2.723 -10.625 1.00 0.00 C ATOM 1105 O THR A 72 -10.561 3.093 -11.654 1.00 0.00 O ATOM 1106 CB THR A 72 -11.707 1.578 -9.003 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.757 0.872 -9.656 1.00 0.00 O ATOM 1108 CG2 THR A 72 -12.255 3.027 -8.821 1.00 0.00 C ATOM 0 H THR A 72 -9.280 1.317 -8.171 1.00 0.00 H new ATOM 0 HA THR A 72 -10.713 0.730 -10.760 1.00 0.00 H new ATOM 0 HB THR A 72 -11.397 1.235 -8.016 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.575 0.932 -9.119 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.113 3.010 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.475 3.660 -8.397 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.560 3.425 -9.789 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.082 3.379 -10.013 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.642 4.739 -10.463 1.00 0.00 C ATOM 1118 C TYR A 73 -7.513 4.621 -11.493 1.00 0.00 C ATOM 1119 O TYR A 73 -7.133 5.599 -12.109 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.150 5.529 -9.238 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.261 6.460 -8.744 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.370 7.745 -9.240 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.165 6.024 -7.800 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.370 8.581 -8.794 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.165 6.859 -7.354 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.274 8.143 -7.848 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.279 8.976 -7.398 1.00 0.00 O ATOM 0 H TYR A 73 -8.579 3.023 -9.200 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.480 5.257 -10.930 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.858 4.842 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.265 6.109 -9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.667 8.096 -9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.089 5.021 -7.407 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.447 9.584 -9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.868 6.507 -6.613 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.823 8.503 -6.735 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.019 3.418 -11.635 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.914 3.125 -12.596 1.00 0.00 C ATOM 1139 C VAL A 74 -6.394 2.030 -13.567 1.00 0.00 C ATOM 1140 O VAL A 74 -7.522 1.579 -13.489 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.665 2.660 -11.783 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.267 3.755 -10.743 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -4.951 1.309 -11.058 1.00 0.00 C ATOM 0 H VAL A 74 -7.345 2.606 -11.111 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.641 4.007 -13.175 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.837 2.509 -12.476 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.395 3.422 -10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.031 4.683 -11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.098 3.925 -10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.068 1.003 -10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.790 1.434 -10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.195 0.545 -11.796 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.514 1.641 -14.452 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.802 0.509 -15.385 1.00 0.00 C ATOM 1155 C GLU A 75 -4.460 -0.163 -15.692 1.00 0.00 C ATOM 1156 O GLU A 75 -3.564 0.478 -16.208 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.445 1.081 -16.668 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.270 0.008 -17.410 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.717 -0.002 -16.875 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.931 -0.679 -15.881 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -9.529 0.672 -17.491 1.00 0.00 O ATOM 0 H GLU A 75 -4.594 2.066 -14.570 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.491 -0.218 -14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.088 1.923 -16.411 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.666 1.464 -17.328 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.270 0.212 -18.481 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.815 -0.973 -17.273 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.353 -1.428 -15.374 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.228 -2.261 -15.911 1.00 0.00 C ATOM 1170 C TYR A 76 -3.116 -2.056 -17.430 1.00 0.00 C ATOM 1171 O TYR A 76 -4.093 -2.198 -18.142 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.516 -3.747 -15.566 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.685 -4.703 -16.439 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.391 -5.041 -16.096 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.237 -5.243 -17.586 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.665 -5.905 -16.888 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.510 -6.106 -18.377 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.219 -6.444 -18.031 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.494 -7.312 -18.822 1.00 0.00 O ATOM 0 H TYR A 76 -5.000 -1.925 -14.762 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.279 -1.966 -15.462 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.292 -3.927 -14.514 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.577 -3.955 -15.706 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.946 -4.627 -15.204 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.248 -4.986 -17.865 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.347 -6.162 -16.611 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.953 -6.519 -19.271 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.041 -7.594 -19.585 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.928 -1.730 -17.868 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.675 -1.595 -19.336 1.00 0.00 C ATOM 1191 C ILE A 77 -1.127 -2.920 -19.884 1.00 0.00 C ATOM 1192 O ILE A 77 -1.752 -3.539 -20.724 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.648 -0.431 -19.602 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.345 -0.225 -18.416 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.413 0.897 -19.858 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.644 0.434 -18.926 1.00 0.00 C ATOM 0 H ILE A 77 -1.120 -1.551 -17.272 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.610 -1.356 -19.843 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.065 -0.715 -20.478 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.114 0.401 -17.651 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.572 -1.184 -17.950 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.698 1.699 -20.041 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.061 0.782 -20.727 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.018 1.143 -18.985 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.332 0.575 -18.092 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.108 -0.208 -19.675 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.411 1.401 -19.371 1.00 0.00 H new ATOM 1208 N GLY A 78 0.021 -3.310 -19.391 1.00 0.00 N ATOM 1209 CA GLY A 78 0.799 -4.396 -20.059 1.00 0.00 C ATOM 1210 C GLY A 78 1.771 -5.042 -19.076 1.00 0.00 C ATOM 1211 O GLY A 78 2.141 -4.452 -18.077 1.00 0.00 O ATOM 0 H GLY A 78 0.454 -2.922 -18.553 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.117 -5.150 -20.453 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.348 -3.988 -20.907 1.00 0.00 H new ATOM 1215 N ARG A 79 2.150 -6.249 -19.411 1.00 0.00 N ATOM 1216 CA ARG A 79 3.267 -6.939 -18.694 1.00 0.00 C ATOM 1217 C ARG A 79 4.631 -6.525 -19.282 1.00 0.00 C ATOM 1218 O ARG A 79 5.464 -7.355 -19.598 1.00 0.00 O ATOM 1219 CB ARG A 79 3.041 -8.469 -18.807 1.00 0.00 C ATOM 1220 CG ARG A 79 3.072 -8.929 -20.288 1.00 0.00 C ATOM 1221 CD ARG A 79 1.698 -9.457 -20.694 1.00 0.00 C ATOM 1222 NE ARG A 79 1.812 -9.949 -22.105 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.124 -10.976 -22.530 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.209 -12.119 -21.903 1.00 0.00 N ATOM 1225 NH2 ARG A 79 0.369 -10.827 -23.582 1.00 0.00 N ATOM 0 H ARG A 79 1.727 -6.794 -20.162 1.00 0.00 H new ATOM 0 HA ARG A 79 3.276 -6.650 -17.643 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.810 -8.996 -18.243 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.082 -8.732 -18.361 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.356 -8.096 -20.931 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.824 -9.706 -20.421 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.384 -10.262 -20.030 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.946 -8.671 -20.620 1.00 0.00 H new ATOM 0 HE ARG A 79 2.442 -9.471 -22.749 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.811 -12.208 -21.084 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.673 -12.922 -22.232 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.325 -9.924 -24.054 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.177 -11.613 -23.933 1.00 0.00 H new