USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 692 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 18 THR OG1 : rot -127:sc= 0 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -115:sc= -0.0509 (180deg=-1.22) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -1.14 K(o=-1.3,f=-0.74) USER MOD Set 2.2: A 68 TYR OH : rot 31:sc= -0.124 USER MOD Set 3.1: A 9 TYR OH : rot 178:sc= 0.445 USER MOD Set 3.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 8 SER OG : rot -110:sc= 0.0809 USER MOD Set 5.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 27:sc= 0.849 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 33:sc= 0.64 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 104:sc= 1.24 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 45 SER OG : rot -1:sc= 1.16 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.77 K(o=0.77,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00726 USER MOD Single : A 65 SER OG : rot 87:sc= 0.00478 USER MOD Single : A 71 ASN : amide:sc= 1.38 K(o=1.4,f=-4.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.436 K(o=-0.44,f=-4) USER MOD Single : A 88 SER OG : rot 152:sc= 1.08 USER MOD Single : A 91 THR OG1 : rot 38:sc= 0.114 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -2.35 K(o=-2.4,f=-5.2!) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 7 -23.452 1.525 -8.789 1.00 0.00 N ATOM 75 CA VAL A 7 -22.361 1.747 -7.852 1.00 0.00 C ATOM 76 C VAL A 7 -21.305 2.666 -8.482 1.00 0.00 C ATOM 77 O VAL A 7 -21.124 2.683 -9.702 1.00 0.00 O ATOM 78 CB VAL A 7 -21.807 0.384 -7.377 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.297 -0.511 -8.515 1.00 0.00 C ATOM 80 CG2 VAL A 7 -20.683 0.526 -6.343 1.00 0.00 C ATOM 0 HA VAL A 7 -22.715 2.266 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.672 -0.095 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.925 -1.448 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -22.112 -0.718 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.491 -0.003 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.334 -0.463 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.856 1.087 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.059 1.055 -5.467 1.00 0.00 H new ATOM 90 N SER A 8 -20.598 3.417 -7.640 1.00 0.00 N ATOM 91 CA SER A 8 -19.570 4.369 -8.015 1.00 0.00 C ATOM 92 C SER A 8 -18.397 4.161 -7.067 1.00 0.00 C ATOM 93 O SER A 8 -18.513 4.472 -5.878 1.00 0.00 O ATOM 94 CB SER A 8 -20.167 5.774 -7.906 1.00 0.00 C ATOM 95 OG SER A 8 -19.375 6.746 -8.554 1.00 0.00 O ATOM 0 H SER A 8 -20.738 3.371 -6.631 1.00 0.00 H new ATOM 0 HA SER A 8 -19.217 4.235 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.167 5.776 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.275 6.039 -6.854 1.00 0.00 H new ATOM 0 HG SER A 8 -18.963 7.332 -7.885 1.00 0.00 H new ATOM 101 N TYR A 9 -17.309 3.556 -7.546 1.00 0.00 N ATOM 102 CA TYR A 9 -16.071 3.453 -6.781 1.00 0.00 C ATOM 103 C TYR A 9 -15.260 4.731 -6.951 1.00 0.00 C ATOM 104 O TYR A 9 -15.341 5.403 -7.981 1.00 0.00 O ATOM 105 CB TYR A 9 -15.244 2.233 -7.211 1.00 0.00 C ATOM 106 CG TYR A 9 -15.644 0.937 -6.528 1.00 0.00 C ATOM 107 CD1 TYR A 9 -16.942 0.428 -6.679 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.725 0.245 -5.718 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.319 -0.770 -6.046 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.080 -0.975 -5.118 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.386 -1.496 -5.274 1.00 0.00 C ATOM 112 OH TYR A 9 -16.795 -2.638 -4.652 1.00 0.00 O ATOM 0 H TYR A 9 -17.263 3.127 -8.470 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.326 3.321 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.338 2.106 -8.289 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.192 2.430 -7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.658 0.961 -7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.739 0.655 -5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.329 -1.137 -6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.352 -1.518 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.036 -3.046 -4.185 1.00 0.00 H new ATOM 122 N TYR A 10 -14.432 5.019 -5.954 1.00 0.00 N ATOM 123 CA TYR A 10 -13.515 6.140 -5.894 1.00 0.00 C ATOM 124 C TYR A 10 -12.136 5.611 -5.493 1.00 0.00 C ATOM 125 O TYR A 10 -12.040 4.610 -4.771 1.00 0.00 O ATOM 126 CB TYR A 10 -14.083 7.155 -4.899 1.00 0.00 C ATOM 127 CG TYR A 10 -15.395 7.773 -5.356 1.00 0.00 C ATOM 128 CD1 TYR A 10 -15.366 8.833 -6.277 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.634 7.272 -4.904 1.00 0.00 C ATOM 130 CE1 TYR A 10 -16.562 9.423 -6.714 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.844 7.872 -5.318 1.00 0.00 C ATOM 132 CZ TYR A 10 -17.801 8.959 -6.225 1.00 0.00 C ATOM 133 OH TYR A 10 -18.927 9.608 -6.628 1.00 0.00 O ATOM 0 H TYR A 10 -14.384 4.438 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.402 6.643 -6.854 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.235 6.665 -3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.351 7.947 -4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.420 9.195 -6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.658 6.423 -4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.534 10.234 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.790 7.506 -4.947 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.712 9.187 -6.219 1.00 0.00 H new ATOM 143 N PHE A 11 -11.076 6.233 -6.015 1.00 0.00 N ATOM 144 CA PHE A 11 -9.735 5.650 -6.094 1.00 0.00 C ATOM 145 C PHE A 11 -8.674 6.702 -6.481 1.00 0.00 C ATOM 146 O PHE A 11 -7.806 6.436 -7.315 1.00 0.00 O ATOM 147 CB PHE A 11 -9.757 4.433 -7.053 1.00 0.00 C ATOM 148 CG PHE A 11 -10.555 4.607 -8.341 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.075 5.412 -9.393 1.00 0.00 C ATOM 150 CD2 PHE A 11 -11.816 3.992 -8.467 1.00 0.00 C ATOM 151 CE1 PHE A 11 -10.852 5.610 -10.547 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.593 4.186 -9.622 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.110 4.996 -10.664 1.00 0.00 C ATOM 0 H PHE A 11 -11.127 7.175 -6.402 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.441 5.294 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.729 4.186 -7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.161 3.577 -6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.105 5.879 -9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.189 3.366 -7.670 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.481 6.235 -11.346 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.560 3.713 -9.709 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.705 5.146 -11.553 1.00 0.00 H new ATOM 163 N SER A 12 -8.735 7.914 -5.921 1.00 0.00 N ATOM 164 CA SER A 12 -7.770 8.976 -6.214 1.00 0.00 C ATOM 165 C SER A 12 -7.451 9.790 -4.958 1.00 0.00 C ATOM 166 O SER A 12 -8.039 9.550 -3.899 1.00 0.00 O ATOM 167 CB SER A 12 -8.304 9.840 -7.370 1.00 0.00 C ATOM 168 OG SER A 12 -9.516 10.478 -7.029 1.00 0.00 O ATOM 0 H SER A 12 -9.455 8.186 -5.252 1.00 0.00 H new ATOM 0 HA SER A 12 -6.824 8.539 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.560 10.591 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.457 9.216 -8.250 1.00 0.00 H new ATOM 0 HG SER A 12 -9.825 11.019 -7.785 1.00 0.00 H new ATOM 174 N TYR A 13 -6.531 10.749 -5.076 1.00 0.00 N ATOM 175 CA TYR A 13 -6.339 11.801 -4.089 1.00 0.00 C ATOM 176 C TYR A 13 -7.330 12.924 -4.388 1.00 0.00 C ATOM 177 O TYR A 13 -7.805 13.065 -5.526 1.00 0.00 O ATOM 178 CB TYR A 13 -4.905 12.345 -4.153 1.00 0.00 C ATOM 179 CG TYR A 13 -3.835 11.314 -3.853 1.00 0.00 C ATOM 180 CD1 TYR A 13 -3.402 10.443 -4.866 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.290 11.202 -2.562 1.00 0.00 C ATOM 182 CE1 TYR A 13 -2.464 9.438 -4.587 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.348 10.196 -2.277 1.00 0.00 C ATOM 184 CZ TYR A 13 -1.935 9.300 -3.288 1.00 0.00 C ATOM 185 OH TYR A 13 -1.030 8.309 -3.043 1.00 0.00 O ATOM 0 H TYR A 13 -5.894 10.814 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.506 11.401 -3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.729 12.757 -5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.809 13.168 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.794 10.548 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.595 11.890 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.146 8.767 -5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.939 10.109 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.756 8.341 -2.103 1.00 0.00 H new ATOM 195 N ALA A 14 -7.613 13.753 -3.386 1.00 0.00 N ATOM 196 CA ALA A 14 -8.518 14.884 -3.536 1.00 0.00 C ATOM 197 C ALA A 14 -7.874 16.028 -4.325 1.00 0.00 C ATOM 198 O ALA A 14 -8.587 16.778 -4.995 1.00 0.00 O ATOM 199 CB ALA A 14 -8.981 15.367 -2.162 1.00 0.00 C ATOM 0 H ALA A 14 -7.221 13.658 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.384 14.548 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.658 16.213 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.500 14.558 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.116 15.675 -1.574 1.00 0.00 H new ATOM 205 N ASP A 15 -6.540 16.120 -4.302 1.00 0.00 N ATOM 206 CA ASP A 15 -5.758 17.205 -4.901 1.00 0.00 C ATOM 207 C ASP A 15 -5.833 17.231 -6.425 1.00 0.00 C ATOM 208 O ASP A 15 -5.385 18.193 -7.048 1.00 0.00 O ATOM 209 CB ASP A 15 -4.288 17.131 -4.469 1.00 0.00 C ATOM 210 CG ASP A 15 -3.466 16.089 -5.234 1.00 0.00 C ATOM 211 OD1 ASP A 15 -2.972 16.387 -6.346 1.00 0.00 O ATOM 212 OD2 ASP A 15 -3.276 14.976 -4.706 1.00 0.00 O ATOM 0 H ASP A 15 -5.956 15.417 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.207 18.127 -4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.830 18.111 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.244 16.903 -3.404 1.00 0.00 H new ATOM 217 N GLY A 16 -6.432 16.206 -7.026 1.00 0.00 N ATOM 218 CA GLY A 16 -6.714 16.141 -8.446 1.00 0.00 C ATOM 219 C GLY A 16 -5.950 15.032 -9.152 1.00 0.00 C ATOM 220 O GLY A 16 -6.076 14.904 -10.368 1.00 0.00 O ATOM 0 H GLY A 16 -6.741 15.377 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.783 15.988 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.463 17.097 -8.905 1.00 0.00 H new ATOM 224 N GLY A 17 -5.171 14.221 -8.437 1.00 0.00 N ATOM 225 CA GLY A 17 -4.302 13.230 -9.054 1.00 0.00 C ATOM 226 C GLY A 17 -4.547 11.837 -8.513 1.00 0.00 C ATOM 227 O GLY A 17 -5.333 11.631 -7.585 1.00 0.00 O ATOM 0 H GLY A 17 -5.127 14.235 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.460 13.232 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.261 13.506 -8.884 1.00 0.00 H new ATOM 231 N THR A 18 -3.826 10.872 -9.073 1.00 0.00 N ATOM 232 CA THR A 18 -3.783 9.497 -8.596 1.00 0.00 C ATOM 233 C THR A 18 -2.355 9.148 -8.158 1.00 0.00 C ATOM 234 O THR A 18 -1.975 7.981 -8.154 1.00 0.00 O ATOM 235 CB THR A 18 -4.424 8.546 -9.627 1.00 0.00 C ATOM 236 OG1 THR A 18 -4.004 8.776 -10.956 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.948 8.706 -9.612 1.00 0.00 C ATOM 0 H THR A 18 -3.240 11.030 -9.893 1.00 0.00 H new ATOM 0 HA THR A 18 -4.394 9.371 -7.702 1.00 0.00 H new ATOM 0 HB THR A 18 -4.106 7.547 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.789 8.888 -11.532 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.392 8.031 -10.343 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.329 8.467 -8.619 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.208 9.734 -9.863 1.00 0.00 H new ATOM 245 N SER A 19 -1.554 10.145 -7.766 1.00 0.00 N ATOM 246 CA SER A 19 -0.252 9.936 -7.164 1.00 0.00 C ATOM 247 C SER A 19 -0.006 11.013 -6.115 1.00 0.00 C ATOM 248 O SER A 19 -0.404 12.163 -6.305 1.00 0.00 O ATOM 249 CB SER A 19 0.798 10.008 -8.270 1.00 0.00 C ATOM 250 OG SER A 19 2.120 9.784 -7.829 1.00 0.00 O ATOM 0 H SER A 19 -1.804 11.129 -7.863 1.00 0.00 H new ATOM 0 HA SER A 19 -0.199 8.963 -6.675 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.553 9.273 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.746 10.989 -8.742 1.00 0.00 H new ATOM 0 HG SER A 19 2.106 9.219 -7.028 1.00 0.00 H new ATOM 256 N HIS A 20 0.730 10.648 -5.072 1.00 0.00 N ATOM 257 CA HIS A 20 1.335 11.544 -4.101 1.00 0.00 C ATOM 258 C HIS A 20 2.802 11.716 -4.484 1.00 0.00 C ATOM 259 O HIS A 20 3.453 10.727 -4.841 1.00 0.00 O ATOM 260 CB HIS A 20 1.248 10.859 -2.738 1.00 0.00 C ATOM 261 CG HIS A 20 1.923 11.544 -1.586 1.00 0.00 C ATOM 262 ND1 HIS A 20 2.017 12.893 -1.328 1.00 0.00 N ATOM 263 CD2 HIS A 20 2.400 10.882 -0.496 1.00 0.00 C ATOM 264 CE1 HIS A 20 2.539 13.022 -0.097 1.00 0.00 C ATOM 265 NE2 HIS A 20 2.797 11.820 0.452 1.00 0.00 N ATOM 0 H HIS A 20 0.930 9.668 -4.873 1.00 0.00 H new ATOM 0 HA HIS A 20 0.838 12.514 -4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.194 10.735 -2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.673 9.860 -2.834 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.742 13.651 -1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.460 9.809 -0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.727 13.968 0.389 1.00 0.00 H new ATOM 273 N THR A 21 3.340 12.925 -4.363 1.00 0.00 N ATOM 274 CA THR A 21 4.762 13.188 -4.461 1.00 0.00 C ATOM 275 C THR A 21 5.080 14.265 -3.427 1.00 0.00 C ATOM 276 O THR A 21 4.924 15.453 -3.720 1.00 0.00 O ATOM 277 CB THR A 21 5.156 13.612 -5.890 1.00 0.00 C ATOM 278 OG1 THR A 21 4.698 12.689 -6.861 1.00 0.00 O ATOM 279 CG2 THR A 21 6.676 13.724 -6.061 1.00 0.00 C ATOM 0 H THR A 21 2.784 13.763 -4.191 1.00 0.00 H new ATOM 0 HA THR A 21 5.344 12.289 -4.256 1.00 0.00 H new ATOM 0 HB THR A 21 4.687 14.585 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.966 12.993 -7.753 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.906 14.025 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.066 14.468 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.137 12.758 -5.855 1.00 0.00 H new ATOM 287 N GLU A 22 5.468 13.881 -2.205 1.00 0.00 N ATOM 288 CA GLU A 22 5.888 14.891 -1.246 1.00 0.00 C ATOM 289 C GLU A 22 7.292 15.384 -1.586 1.00 0.00 C ATOM 290 O GLU A 22 8.124 14.635 -2.117 1.00 0.00 O ATOM 291 CB GLU A 22 5.826 14.395 0.202 1.00 0.00 C ATOM 292 CG GLU A 22 6.732 13.211 0.552 1.00 0.00 C ATOM 293 CD GLU A 22 6.840 13.021 2.071 1.00 0.00 C ATOM 294 OE1 GLU A 22 7.146 14.019 2.767 1.00 0.00 O ATOM 295 OE2 GLU A 22 6.631 11.883 2.529 1.00 0.00 O ATOM 0 H GLU A 22 5.498 12.917 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 22 5.184 15.720 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.080 15.226 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.796 14.115 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.338 12.302 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.725 13.374 0.132 1.00 0.00 H new ATOM 302 N TYR A 23 7.564 16.626 -1.189 1.00 0.00 N ATOM 303 CA TYR A 23 8.889 17.212 -1.183 1.00 0.00 C ATOM 304 C TYR A 23 9.118 17.824 0.212 1.00 0.00 C ATOM 305 O TYR A 23 8.802 19.004 0.413 1.00 0.00 O ATOM 306 CB TYR A 23 9.025 18.227 -2.324 1.00 0.00 C ATOM 307 CG TYR A 23 8.883 17.640 -3.719 1.00 0.00 C ATOM 308 CD1 TYR A 23 7.617 17.528 -4.326 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.022 17.201 -4.416 1.00 0.00 C ATOM 310 CE1 TYR A 23 7.490 17.044 -5.638 1.00 0.00 C ATOM 311 CE2 TYR A 23 9.904 16.695 -5.723 1.00 0.00 C ATOM 312 CZ TYR A 23 8.638 16.625 -6.344 1.00 0.00 C ATOM 313 OH TYR A 23 8.525 16.129 -7.606 1.00 0.00 O ATOM 0 H TYR A 23 6.843 17.265 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 23 9.662 16.465 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.271 19.003 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.998 18.712 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.734 17.818 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.993 17.253 -3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.518 16.993 -6.105 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.783 16.359 -6.253 1.00 0.00 H new ATOM 0 HH TYR A 23 9.413 15.890 -7.944 1.00 0.00 H new ATOM 323 N PRO A 24 9.547 17.023 1.208 1.00 0.00 N ATOM 324 CA PRO A 24 9.962 17.511 2.517 1.00 0.00 C ATOM 325 C PRO A 24 11.367 18.107 2.444 1.00 0.00 C ATOM 326 O PRO A 24 12.098 17.917 1.469 1.00 0.00 O ATOM 327 CB PRO A 24 9.959 16.285 3.439 1.00 0.00 C ATOM 328 CG PRO A 24 10.342 15.167 2.483 1.00 0.00 C ATOM 329 CD PRO A 24 9.656 15.573 1.179 1.00 0.00 C ATOM 0 HA PRO A 24 9.296 18.294 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.675 16.387 4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.982 16.118 3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.423 15.092 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.993 14.197 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.235 15.244 0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.672 15.111 1.097 1.00 0.00 H new ATOM 337 N ASP A 25 11.770 18.757 3.531 1.00 0.00 N ATOM 338 CA ASP A 25 13.076 19.364 3.725 1.00 0.00 C ATOM 339 C ASP A 25 13.330 19.435 5.233 1.00 0.00 C ATOM 340 O ASP A 25 12.397 19.295 6.033 1.00 0.00 O ATOM 341 CB ASP A 25 13.059 20.763 3.081 1.00 0.00 C ATOM 342 CG ASP A 25 14.343 21.585 3.227 1.00 0.00 C ATOM 343 OD1 ASP A 25 15.462 21.030 3.283 1.00 0.00 O ATOM 344 OD2 ASP A 25 14.237 22.836 3.230 1.00 0.00 O ATOM 0 H ASP A 25 11.161 18.879 4.340 1.00 0.00 H new ATOM 0 HA ASP A 25 13.875 18.787 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.843 20.650 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.236 21.331 3.515 1.00 0.00 H new ATOM 349 N ASP A 26 14.578 19.684 5.618 1.00 0.00 N ATOM 350 CA ASP A 26 15.013 20.216 6.907 1.00 0.00 C ATOM 351 C ASP A 26 14.761 19.259 8.084 1.00 0.00 C ATOM 352 O ASP A 26 15.689 18.553 8.485 1.00 0.00 O ATOM 353 CB ASP A 26 14.447 21.629 7.084 1.00 0.00 C ATOM 354 CG ASP A 26 14.924 22.249 8.385 1.00 0.00 C ATOM 355 OD1 ASP A 26 14.252 22.014 9.409 1.00 0.00 O ATOM 356 OD2 ASP A 26 15.970 22.940 8.395 1.00 0.00 O ATOM 0 H ASP A 26 15.367 19.508 4.996 1.00 0.00 H new ATOM 0 HA ASP A 26 16.100 20.300 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.753 22.255 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.358 21.592 7.073 1.00 0.00 H new ATOM 361 N SER A 27 13.539 19.145 8.616 1.00 0.00 N ATOM 362 CA SER A 27 13.149 18.055 9.518 1.00 0.00 C ATOM 363 C SER A 27 12.908 16.731 8.783 1.00 0.00 C ATOM 364 O SER A 27 12.550 15.745 9.431 1.00 0.00 O ATOM 365 CB SER A 27 11.940 18.443 10.376 1.00 0.00 C ATOM 366 OG SER A 27 12.280 19.544 11.206 1.00 0.00 O ATOM 0 H SER A 27 12.788 19.810 8.432 1.00 0.00 H new ATOM 0 HA SER A 27 13.997 17.890 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.096 18.703 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.628 17.596 10.987 1.00 0.00 H new ATOM 0 HG SER A 27 11.506 19.793 11.753 1.00 0.00 H new ATOM 372 N SER A 28 13.178 16.676 7.472 1.00 0.00 N ATOM 373 CA SER A 28 13.037 15.492 6.630 1.00 0.00 C ATOM 374 C SER A 28 11.586 14.967 6.645 1.00 0.00 C ATOM 375 O SER A 28 10.660 15.728 6.947 1.00 0.00 O ATOM 376 CB SER A 28 14.172 14.481 6.921 1.00 0.00 C ATOM 377 OG SER A 28 14.516 14.311 8.290 1.00 0.00 O ATOM 0 H SER A 28 13.513 17.488 6.954 1.00 0.00 H new ATOM 0 HA SER A 28 13.187 15.739 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.881 13.512 6.516 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.063 14.798 6.379 1.00 0.00 H new ATOM 0 HG SER A 28 13.716 14.424 8.845 1.00 0.00 H new ATOM 383 N ALA A 29 11.353 13.725 6.205 1.00 0.00 N ATOM 384 CA ALA A 29 10.035 13.087 6.194 1.00 0.00 C ATOM 385 C ALA A 29 9.382 13.065 7.584 1.00 0.00 C ATOM 386 O ALA A 29 10.014 13.400 8.592 1.00 0.00 O ATOM 387 CB ALA A 29 10.158 11.667 5.637 1.00 0.00 C ATOM 0 H ALA A 29 12.092 13.124 5.839 1.00 0.00 H new ATOM 0 HA ALA A 29 9.385 13.680 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.177 11.193 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.549 11.708 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.836 11.088 6.264 1.00 0.00 H new ATOM 393 N GLY A 30 8.117 12.647 7.661 1.00 0.00 N ATOM 394 CA GLY A 30 7.378 12.665 8.901 1.00 0.00 C ATOM 395 C GLY A 30 6.097 11.869 8.783 1.00 0.00 C ATOM 396 O GLY A 30 5.964 10.993 7.923 1.00 0.00 O ATOM 0 H GLY A 30 7.589 12.291 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.993 12.253 9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.146 13.694 9.175 1.00 0.00 H new ATOM 400 N SER A 31 5.166 12.149 9.689 1.00 0.00 N ATOM 401 CA SER A 31 3.920 11.423 9.832 1.00 0.00 C ATOM 402 C SER A 31 2.773 12.423 9.677 1.00 0.00 C ATOM 403 O SER A 31 2.631 13.326 10.503 1.00 0.00 O ATOM 404 CB SER A 31 3.899 10.700 11.191 1.00 0.00 C ATOM 405 OG SER A 31 5.182 10.255 11.634 1.00 0.00 O ATOM 0 H SER A 31 5.265 12.910 10.361 1.00 0.00 H new ATOM 0 HA SER A 31 3.812 10.655 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.480 11.371 11.941 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.232 9.841 11.123 1.00 0.00 H new ATOM 0 HG SER A 31 5.092 9.808 12.501 1.00 0.00 H new ATOM 411 N PHE A 32 1.988 12.319 8.604 1.00 0.00 N ATOM 412 CA PHE A 32 0.833 13.177 8.312 1.00 0.00 C ATOM 413 C PHE A 32 -0.392 12.330 7.927 1.00 0.00 C ATOM 414 O PHE A 32 -0.403 11.119 8.157 1.00 0.00 O ATOM 415 CB PHE A 32 1.223 14.259 7.280 1.00 0.00 C ATOM 416 CG PHE A 32 2.019 13.796 6.069 1.00 0.00 C ATOM 417 CD1 PHE A 32 1.392 13.125 5.001 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.406 14.046 6.008 1.00 0.00 C ATOM 419 CE1 PHE A 32 2.149 12.699 3.892 1.00 0.00 C ATOM 420 CE2 PHE A 32 4.148 13.673 4.873 1.00 0.00 C ATOM 421 CZ PHE A 32 3.518 13.011 3.810 1.00 0.00 C ATOM 0 H PHE A 32 2.142 11.610 7.887 1.00 0.00 H new ATOM 0 HA PHE A 32 0.531 13.719 9.208 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.309 14.734 6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.802 15.026 7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.329 12.937 5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.901 14.527 6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.677 12.132 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.203 13.897 4.820 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.083 12.741 2.930 1.00 0.00 H new ATOM 431 N ILE A 33 -1.452 12.965 7.415 1.00 0.00 N ATOM 432 CA ILE A 33 -2.712 12.347 7.018 1.00 0.00 C ATOM 433 C ILE A 33 -3.089 12.927 5.654 1.00 0.00 C ATOM 434 O ILE A 33 -3.377 14.119 5.538 1.00 0.00 O ATOM 435 CB ILE A 33 -3.815 12.582 8.077 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.336 12.114 9.472 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.092 11.855 7.617 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.374 12.200 10.597 1.00 0.00 C ATOM 0 H ILE A 33 -1.449 13.973 7.261 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.604 11.265 6.944 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.037 13.645 8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.999 11.080 9.392 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.469 12.710 9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.883 12.009 8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.410 12.252 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.889 10.788 7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.931 11.847 11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.696 13.235 10.717 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.234 11.579 10.347 1.00 0.00 H new ATOM 450 N LEU A 34 -3.035 12.089 4.622 1.00 0.00 N ATOM 451 CA LEU A 34 -3.340 12.454 3.242 1.00 0.00 C ATOM 452 C LEU A 34 -4.844 12.420 2.991 1.00 0.00 C ATOM 453 O LEU A 34 -5.579 11.680 3.651 1.00 0.00 O ATOM 454 CB LEU A 34 -2.664 11.458 2.287 1.00 0.00 C ATOM 455 CG LEU A 34 -1.132 11.569 2.271 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.528 10.349 1.577 1.00 0.00 C ATOM 457 CD2 LEU A 34 -0.694 12.834 1.530 1.00 0.00 C ATOM 0 H LEU A 34 -2.770 11.109 4.726 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.970 13.464 3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.944 10.444 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.043 11.620 1.278 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.781 11.618 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.559 10.435 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.817 9.445 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.894 10.295 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.394 12.896 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.057 12.798 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.107 13.710 2.030 1.00 0.00 H new ATOM 469 N ASP A 35 -5.292 13.139 1.963 1.00 0.00 N ATOM 470 CA ASP A 35 -6.674 13.143 1.487 1.00 0.00 C ATOM 471 C ASP A 35 -6.779 12.103 0.368 1.00 0.00 C ATOM 472 O ASP A 35 -6.704 12.449 -0.815 1.00 0.00 O ATOM 473 CB ASP A 35 -7.101 14.543 0.995 1.00 0.00 C ATOM 474 CG ASP A 35 -7.425 15.542 2.106 1.00 0.00 C ATOM 475 OD1 ASP A 35 -6.901 15.408 3.232 1.00 0.00 O ATOM 476 OD2 ASP A 35 -8.171 16.513 1.833 1.00 0.00 O ATOM 0 H ASP A 35 -4.684 13.754 1.422 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.351 12.890 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.303 14.955 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.977 14.436 0.355 1.00 0.00 H new ATOM 481 N ILE A 36 -6.909 10.823 0.736 1.00 0.00 N ATOM 482 CA ILE A 36 -7.095 9.712 -0.196 1.00 0.00 C ATOM 483 C ILE A 36 -8.560 9.297 -0.125 1.00 0.00 C ATOM 484 O ILE A 36 -9.088 9.037 0.959 1.00 0.00 O ATOM 485 CB ILE A 36 -6.146 8.527 0.112 1.00 0.00 C ATOM 486 CG1 ILE A 36 -4.680 8.999 0.018 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.406 7.362 -0.868 1.00 0.00 C ATOM 488 CD1 ILE A 36 -3.621 7.892 0.114 1.00 0.00 C ATOM 0 H ILE A 36 -6.887 10.528 1.712 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.842 10.030 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.337 8.169 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.546 9.525 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.498 9.722 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.732 6.537 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.438 7.026 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.232 7.700 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.627 8.332 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.717 7.378 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.766 7.178 -0.697 1.00 0.00 H new ATOM 500 N THR A 37 -9.196 9.210 -1.290 1.00 0.00 N ATOM 501 CA THR A 37 -10.553 8.734 -1.453 1.00 0.00 C ATOM 502 C THR A 37 -10.513 7.249 -1.815 1.00 0.00 C ATOM 503 O THR A 37 -9.941 6.896 -2.851 1.00 0.00 O ATOM 504 CB THR A 37 -11.234 9.547 -2.563 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.906 10.925 -2.491 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.749 9.437 -2.467 1.00 0.00 C ATOM 0 H THR A 37 -8.760 9.480 -2.172 1.00 0.00 H new ATOM 0 HA THR A 37 -11.120 8.857 -0.530 1.00 0.00 H new ATOM 0 HB THR A 37 -10.874 9.131 -3.504 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.358 11.407 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.208 10.022 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.045 8.393 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.081 9.818 -1.501 1.00 0.00 H new ATOM 514 N SER A 38 -11.114 6.374 -1.008 1.00 0.00 N ATOM 515 CA SER A 38 -11.262 4.962 -1.356 1.00 0.00 C ATOM 516 C SER A 38 -12.560 4.431 -0.757 1.00 0.00 C ATOM 517 O SER A 38 -12.618 4.030 0.406 1.00 0.00 O ATOM 518 CB SER A 38 -10.020 4.146 -0.970 1.00 0.00 C ATOM 519 OG SER A 38 -9.666 4.277 0.385 1.00 0.00 O ATOM 0 H SER A 38 -11.509 6.622 -0.101 1.00 0.00 H new ATOM 0 HA SER A 38 -11.334 4.856 -2.438 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.202 3.094 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.180 4.461 -1.590 1.00 0.00 H new ATOM 0 HG SER A 38 -9.935 3.471 0.873 1.00 0.00 H new ATOM 525 N TYR A 39 -13.630 4.463 -1.545 1.00 0.00 N ATOM 526 CA TYR A 39 -14.928 3.929 -1.153 1.00 0.00 C ATOM 527 C TYR A 39 -15.736 3.602 -2.397 1.00 0.00 C ATOM 528 O TYR A 39 -15.382 4.011 -3.503 1.00 0.00 O ATOM 529 CB TYR A 39 -15.695 4.895 -0.227 1.00 0.00 C ATOM 530 CG TYR A 39 -16.061 6.253 -0.788 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.300 6.473 -1.419 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.192 7.331 -0.570 1.00 0.00 C ATOM 533 CE1 TYR A 39 -17.659 7.770 -1.837 1.00 0.00 C ATOM 534 CE2 TYR A 39 -15.563 8.629 -0.940 1.00 0.00 C ATOM 535 CZ TYR A 39 -16.783 8.855 -1.607 1.00 0.00 C ATOM 536 OH TYR A 39 -17.142 10.115 -1.968 1.00 0.00 O ATOM 0 H TYR A 39 -13.619 4.864 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.765 3.016 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.614 4.401 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.094 5.051 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -17.976 5.647 -1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.229 7.159 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.604 7.935 -2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.912 9.460 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.423 10.739 -1.736 1.00 0.00 H new ATOM 546 N LYS A 40 -16.849 2.901 -2.206 1.00 0.00 N ATOM 547 CA LYS A 40 -17.849 2.620 -3.218 1.00 0.00 C ATOM 548 C LYS A 40 -19.185 3.098 -2.683 1.00 0.00 C ATOM 549 O LYS A 40 -19.617 2.697 -1.600 1.00 0.00 O ATOM 550 CB LYS A 40 -17.802 1.151 -3.624 1.00 0.00 C ATOM 551 CG LYS A 40 -18.103 0.126 -2.531 1.00 0.00 C ATOM 552 CD LYS A 40 -19.583 -0.286 -2.546 1.00 0.00 C ATOM 553 CE LYS A 40 -19.784 -1.596 -3.306 1.00 0.00 C ATOM 554 NZ LYS A 40 -19.369 -2.774 -2.520 1.00 0.00 N ATOM 0 H LYS A 40 -17.085 2.497 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.659 3.158 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.512 1.000 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.810 0.940 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.476 -0.755 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.849 0.544 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.943 -0.397 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.178 0.501 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.835 -1.697 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.215 -1.564 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.525 -3.637 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.360 -2.694 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.929 -2.822 -1.645 1.00 0.00 H new ATOM 568 N LYS A 41 -19.803 4.027 -3.398 1.00 0.00 N ATOM 569 CA LYS A 41 -21.109 4.574 -3.088 1.00 0.00 C ATOM 570 C LYS A 41 -22.114 3.760 -3.866 1.00 0.00 C ATOM 571 O LYS A 41 -21.893 3.519 -5.052 1.00 0.00 O ATOM 572 CB LYS A 41 -21.127 6.032 -3.535 1.00 0.00 C ATOM 573 CG LYS A 41 -22.369 6.775 -3.048 1.00 0.00 C ATOM 574 CD LYS A 41 -22.300 8.230 -3.523 1.00 0.00 C ATOM 575 CE LYS A 41 -22.917 9.178 -2.492 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.825 10.579 -2.945 1.00 0.00 N ATOM 0 H LYS A 41 -19.391 4.432 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.341 4.533 -2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.236 6.535 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.084 6.076 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.269 6.296 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.428 6.737 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.261 8.508 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.825 8.330 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.961 8.913 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.405 9.066 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.250 11.204 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.826 10.835 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.334 10.687 -3.845 1.00 0.00 H new ATOM 590 N THR A 42 -23.182 3.324 -3.217 1.00 0.00 N ATOM 591 CA THR A 42 -24.246 2.573 -3.866 1.00 0.00 C ATOM 592 C THR A 42 -25.425 2.498 -2.909 1.00 0.00 C ATOM 593 O THR A 42 -25.237 2.549 -1.689 1.00 0.00 O ATOM 594 CB THR A 42 -23.747 1.177 -4.297 1.00 0.00 C ATOM 595 OG1 THR A 42 -24.775 0.428 -4.901 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.122 0.340 -3.181 1.00 0.00 C ATOM 0 H THR A 42 -23.336 3.482 -2.221 1.00 0.00 H new ATOM 0 HA THR A 42 -24.566 3.075 -4.779 1.00 0.00 H new ATOM 0 HB THR A 42 -22.953 1.393 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.428 -0.450 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.803 -0.622 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.260 0.866 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.857 0.178 -2.392 1.00 0.00 H new ATOM 604 N GLY A 43 -26.629 2.331 -3.459 1.00 0.00 N ATOM 605 CA GLY A 43 -27.863 2.164 -2.718 1.00 0.00 C ATOM 606 C GLY A 43 -28.039 3.311 -1.739 1.00 0.00 C ATOM 607 O GLY A 43 -28.395 4.416 -2.142 1.00 0.00 O ATOM 0 H GLY A 43 -26.768 2.309 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -28.708 2.129 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -27.849 1.215 -2.181 1.00 0.00 H new ATOM 611 N ASN A 44 -27.739 3.068 -0.467 1.00 0.00 N ATOM 612 CA ASN A 44 -27.752 4.085 0.570 1.00 0.00 C ATOM 613 C ASN A 44 -26.632 3.795 1.570 1.00 0.00 C ATOM 614 O ASN A 44 -26.846 3.593 2.765 1.00 0.00 O ATOM 615 CB ASN A 44 -29.133 4.111 1.218 1.00 0.00 C ATOM 616 CG ASN A 44 -29.404 5.427 1.906 1.00 0.00 C ATOM 617 OD1 ASN A 44 -28.600 5.937 2.681 1.00 0.00 O ATOM 618 ND2 ASN A 44 -30.555 6.010 1.650 1.00 0.00 N ATOM 0 H ASN A 44 -27.476 2.143 -0.126 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.566 5.076 0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -29.894 3.934 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.210 3.300 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -30.788 6.896 2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.214 5.576 1.004 1.00 0.00 H new ATOM 625 N SER A 45 -25.416 3.638 1.068 1.00 0.00 N ATOM 626 CA SER A 45 -24.203 3.519 1.862 1.00 0.00 C ATOM 627 C SER A 45 -22.978 3.953 1.054 1.00 0.00 C ATOM 628 O SER A 45 -23.010 4.058 -0.176 1.00 0.00 O ATOM 629 CB SER A 45 -24.029 2.063 2.314 1.00 0.00 C ATOM 630 OG SER A 45 -25.056 1.645 3.204 1.00 0.00 O ATOM 0 H SER A 45 -25.241 3.588 0.064 1.00 0.00 H new ATOM 0 HA SER A 45 -24.292 4.170 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.023 1.412 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 45 -23.061 1.950 2.802 1.00 0.00 H new ATOM 0 HG SER A 45 -25.671 2.391 3.368 1.00 0.00 H new ATOM 636 N THR A 46 -21.867 4.116 1.767 1.00 0.00 N ATOM 637 CA THR A 46 -20.535 4.302 1.219 1.00 0.00 C ATOM 638 C THR A 46 -19.602 3.323 1.918 1.00 0.00 C ATOM 639 O THR A 46 -19.025 3.638 2.955 1.00 0.00 O ATOM 640 CB THR A 46 -20.071 5.759 1.366 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.590 6.378 2.535 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.533 6.573 0.162 1.00 0.00 C ATOM 0 H THR A 46 -21.876 4.122 2.787 1.00 0.00 H new ATOM 0 HA THR A 46 -20.532 4.098 0.148 1.00 0.00 H new ATOM 0 HB THR A 46 -18.984 5.736 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.267 7.302 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.201 7.605 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.108 6.150 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.621 6.546 0.101 1.00 0.00 H new ATOM 650 N LYS A 47 -19.495 2.106 1.390 1.00 0.00 N ATOM 651 CA LYS A 47 -18.569 1.112 1.925 1.00 0.00 C ATOM 652 C LYS A 47 -17.171 1.649 1.633 1.00 0.00 C ATOM 653 O LYS A 47 -16.855 1.871 0.461 1.00 0.00 O ATOM 654 CB LYS A 47 -18.844 -0.244 1.253 1.00 0.00 C ATOM 655 CG LYS A 47 -18.146 -1.458 1.881 1.00 0.00 C ATOM 656 CD LYS A 47 -19.051 -2.212 2.859 1.00 0.00 C ATOM 657 CE LYS A 47 -19.177 -1.466 4.183 1.00 0.00 C ATOM 658 NZ LYS A 47 -19.790 -2.290 5.240 1.00 0.00 N ATOM 0 H LYS A 47 -20.040 1.784 0.590 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.680 0.949 2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.919 -0.422 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.543 -0.177 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.824 -2.137 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.248 -1.127 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.039 -2.343 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.647 -3.209 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.189 -1.140 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.776 -0.567 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.853 -1.737 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.744 -2.580 4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.206 -3.135 5.404 1.00 0.00 H new ATOM 672 N ALA A 48 -16.380 1.959 2.658 1.00 0.00 N ATOM 673 CA ALA A 48 -14.988 2.327 2.451 1.00 0.00 C ATOM 674 C ALA A 48 -14.238 1.095 1.957 1.00 0.00 C ATOM 675 O ALA A 48 -14.608 -0.032 2.294 1.00 0.00 O ATOM 676 CB ALA A 48 -14.369 2.858 3.745 1.00 0.00 C ATOM 0 H ALA A 48 -16.680 1.962 3.633 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.921 3.123 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.328 3.127 3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.919 3.738 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.418 2.088 4.515 1.00 0.00 H new ATOM 682 N LEU A 49 -13.161 1.309 1.209 1.00 0.00 N ATOM 683 CA LEU A 49 -12.201 0.289 0.854 1.00 0.00 C ATOM 684 C LEU A 49 -10.860 0.688 1.432 1.00 0.00 C ATOM 685 O LEU A 49 -10.474 1.861 1.339 1.00 0.00 O ATOM 686 CB LEU A 49 -12.066 0.201 -0.664 1.00 0.00 C ATOM 687 CG LEU A 49 -13.193 -0.521 -1.416 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.735 -1.780 -0.744 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.332 0.420 -1.793 1.00 0.00 C ATOM 0 H LEU A 49 -12.932 2.226 0.826 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.529 -0.675 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.989 1.214 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.127 -0.303 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.703 -0.871 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.526 -2.209 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.930 -2.506 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.137 -1.525 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.104 -0.138 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.756 0.858 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.951 1.213 -2.437 1.00 0.00 H new ATOM 701 N SER A 50 -10.139 -0.282 1.974 1.00 0.00 N ATOM 702 CA SER A 50 -8.745 -0.121 2.343 1.00 0.00 C ATOM 703 C SER A 50 -7.845 -0.362 1.120 1.00 0.00 C ATOM 704 O SER A 50 -8.325 -0.667 0.021 1.00 0.00 O ATOM 705 CB SER A 50 -8.448 -1.050 3.528 1.00 0.00 C ATOM 706 OG SER A 50 -9.338 -0.742 4.590 1.00 0.00 O ATOM 0 H SER A 50 -10.511 -1.211 2.171 1.00 0.00 H new ATOM 0 HA SER A 50 -8.533 0.898 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.565 -2.092 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.415 -0.926 3.854 1.00 0.00 H new ATOM 0 HG SER A 50 -9.156 -1.332 5.351 1.00 0.00 H new ATOM 712 N TRP A 51 -6.535 -0.191 1.287 1.00 0.00 N ATOM 713 CA TRP A 51 -5.512 -0.625 0.344 1.00 0.00 C ATOM 714 C TRP A 51 -4.425 -1.343 1.138 1.00 0.00 C ATOM 715 O TRP A 51 -4.384 -1.251 2.365 1.00 0.00 O ATOM 716 CB TRP A 51 -4.936 0.580 -0.423 1.00 0.00 C ATOM 717 CG TRP A 51 -4.330 1.648 0.435 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.081 1.624 0.953 1.00 0.00 C ATOM 719 CD2 TRP A 51 -4.963 2.849 0.972 1.00 0.00 C ATOM 720 NE1 TRP A 51 -2.898 2.720 1.766 1.00 0.00 N ATOM 721 CE2 TRP A 51 -4.045 3.477 1.865 1.00 0.00 C ATOM 722 CE3 TRP A 51 -6.236 3.445 0.838 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -4.393 4.601 2.629 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -6.589 4.583 1.589 1.00 0.00 C ATOM 725 CH2 TRP A 51 -5.684 5.143 2.502 1.00 0.00 C ATOM 0 H TRP A 51 -6.146 0.269 2.110 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.938 -1.300 -0.398 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.177 0.220 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.731 1.024 -1.021 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -2.341 0.862 0.759 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.021 2.944 2.237 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.951 3.021 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.678 5.044 3.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -7.565 5.028 1.461 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.978 5.989 3.106 1.00 0.00 H new ATOM 736 N ASN A 52 -3.494 -2.001 0.449 1.00 0.00 N ATOM 737 CA ASN A 52 -2.337 -2.649 1.068 1.00 0.00 C ATOM 738 C ASN A 52 -1.113 -2.199 0.298 1.00 0.00 C ATOM 739 O ASN A 52 -1.157 -2.171 -0.937 1.00 0.00 O ATOM 740 CB ASN A 52 -2.472 -4.178 1.065 1.00 0.00 C ATOM 741 CG ASN A 52 -3.710 -4.607 1.833 1.00 0.00 C ATOM 742 OD1 ASN A 52 -4.762 -4.811 1.240 1.00 0.00 O ATOM 743 ND2 ASN A 52 -3.640 -4.671 3.149 1.00 0.00 N ATOM 0 H ASN A 52 -3.521 -2.101 -0.566 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.258 -2.361 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.530 -4.541 0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.586 -4.628 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.473 -4.894 3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.753 -4.497 3.622 1.00 0.00 H new ATOM 750 N ALA A 53 -0.057 -1.817 1.016 1.00 0.00 N ATOM 751 CA ALA A 53 1.134 -1.184 0.464 1.00 0.00 C ATOM 752 C ALA A 53 2.347 -2.086 0.692 1.00 0.00 C ATOM 753 O ALA A 53 2.388 -2.807 1.694 1.00 0.00 O ATOM 754 CB ALA A 53 1.328 0.186 1.126 1.00 0.00 C ATOM 0 H ALA A 53 -0.008 -1.944 2.027 1.00 0.00 H new ATOM 0 HA ALA A 53 1.019 -1.037 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.218 0.665 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.457 0.811 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.447 0.057 2.202 1.00 0.00 H new ATOM 760 N SER A 54 3.336 -2.034 -0.204 1.00 0.00 N ATOM 761 CA SER A 54 4.525 -2.881 -0.108 1.00 0.00 C ATOM 762 C SER A 54 5.648 -2.395 -1.019 1.00 0.00 C ATOM 763 O SER A 54 5.414 -1.919 -2.137 1.00 0.00 O ATOM 764 CB SER A 54 4.164 -4.343 -0.417 1.00 0.00 C ATOM 765 OG SER A 54 3.396 -4.476 -1.603 1.00 0.00 O ATOM 0 H SER A 54 3.335 -1.409 -1.010 1.00 0.00 H new ATOM 0 HA SER A 54 4.894 -2.818 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.079 -4.927 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.607 -4.761 0.421 1.00 0.00 H new ATOM 0 HG SER A 54 3.194 -5.422 -1.757 1.00 0.00 H new ATOM 771 N GLY A 55 6.875 -2.557 -0.535 1.00 0.00 N ATOM 772 CA GLY A 55 8.109 -2.149 -1.163 1.00 0.00 C ATOM 773 C GLY A 55 9.048 -1.718 -0.044 1.00 0.00 C ATOM 774 O GLY A 55 9.338 -2.516 0.849 1.00 0.00 O ATOM 0 H GLY A 55 7.035 -3.007 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.541 -2.969 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.936 -1.329 -1.860 1.00 0.00 H new ATOM 778 N ASP A 56 9.473 -0.456 -0.061 1.00 0.00 N ATOM 779 CA ASP A 56 10.421 0.165 0.866 1.00 0.00 C ATOM 780 C ASP A 56 10.105 -0.119 2.341 1.00 0.00 C ATOM 781 O ASP A 56 8.943 -0.213 2.741 1.00 0.00 O ATOM 782 CB ASP A 56 10.410 1.681 0.630 1.00 0.00 C ATOM 783 CG ASP A 56 11.146 2.083 -0.647 1.00 0.00 C ATOM 784 OD1 ASP A 56 12.391 2.186 -0.601 1.00 0.00 O ATOM 785 OD2 ASP A 56 10.498 2.191 -1.714 1.00 0.00 O ATOM 0 H ASP A 56 9.144 0.203 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 56 11.402 -0.267 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.378 2.029 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.870 2.181 1.482 1.00 0.00 H new ATOM 790 N SER A 57 11.150 -0.212 3.169 1.00 0.00 N ATOM 791 CA SER A 57 11.060 -0.423 4.616 1.00 0.00 C ATOM 792 C SER A 57 10.630 0.818 5.410 1.00 0.00 C ATOM 793 O SER A 57 10.354 0.700 6.602 1.00 0.00 O ATOM 794 CB SER A 57 12.447 -0.829 5.128 1.00 0.00 C ATOM 795 OG SER A 57 12.784 -2.158 4.762 1.00 0.00 O ATOM 0 H SER A 57 12.113 -0.140 2.839 1.00 0.00 H new ATOM 0 HA SER A 57 10.298 -1.187 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.195 -0.143 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.474 -0.735 6.214 1.00 0.00 H new ATOM 0 HG SER A 57 13.675 -2.376 5.106 1.00 0.00 H new ATOM 801 N TRP A 58 10.634 2.000 4.798 1.00 0.00 N ATOM 802 CA TRP A 58 10.563 3.292 5.480 1.00 0.00 C ATOM 803 C TRP A 58 9.287 4.043 5.111 1.00 0.00 C ATOM 804 O TRP A 58 9.235 5.268 5.192 1.00 0.00 O ATOM 805 CB TRP A 58 11.827 4.088 5.132 1.00 0.00 C ATOM 806 CG TRP A 58 12.201 4.168 3.679 1.00 0.00 C ATOM 807 CD1 TRP A 58 12.886 3.239 2.973 1.00 0.00 C ATOM 808 CD2 TRP A 58 11.951 5.265 2.753 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.065 3.688 1.680 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.561 4.957 1.504 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.299 6.509 2.851 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.580 5.866 0.434 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.288 7.417 1.781 1.00 0.00 C ATOM 814 CH2 TRP A 58 11.951 7.114 0.583 1.00 0.00 C ATOM 0 H TRP A 58 10.688 2.089 3.783 1.00 0.00 H new ATOM 0 HA TRP A 58 10.521 3.144 6.559 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.702 5.104 5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.664 3.649 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.238 2.294 3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.516 3.145 0.944 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.796 6.770 3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.072 5.609 -0.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 10.765 8.357 1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.978 7.835 -0.220 1.00 0.00 H new ATOM 825 N ILE A 59 8.287 3.316 4.620 1.00 0.00 N ATOM 826 CA ILE A 59 7.088 3.863 4.020 1.00 0.00 C ATOM 827 C ILE A 59 5.959 3.070 4.644 1.00 0.00 C ATOM 828 O ILE A 59 5.790 1.887 4.336 1.00 0.00 O ATOM 829 CB ILE A 59 7.167 3.758 2.483 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.412 4.529 1.985 1.00 0.00 C ATOM 831 CG2 ILE A 59 5.837 4.247 1.881 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.499 4.702 0.473 1.00 0.00 C ATOM 0 H ILE A 59 8.296 2.296 4.633 1.00 0.00 H new ATOM 0 HA ILE A 59 6.941 4.927 4.206 1.00 0.00 H new ATOM 0 HB ILE A 59 7.295 2.727 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.420 5.515 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.305 4.007 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.882 4.177 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.020 3.627 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.666 5.284 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.405 5.254 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.527 3.722 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.628 5.254 0.119 1.00 0.00 H new ATOM 844 N HIS A 60 5.257 3.695 5.579 1.00 0.00 N ATOM 845 CA HIS A 60 4.347 3.030 6.484 1.00 0.00 C ATOM 846 C HIS A 60 2.953 3.569 6.221 1.00 0.00 C ATOM 847 O HIS A 60 2.797 4.754 5.897 1.00 0.00 O ATOM 848 CB HIS A 60 4.781 3.276 7.927 1.00 0.00 C ATOM 849 CG HIS A 60 6.259 3.094 8.166 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.940 1.900 8.245 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.174 4.102 8.285 1.00 0.00 C ATOM 852 CE1 HIS A 60 8.237 2.191 8.453 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.424 3.522 8.510 1.00 0.00 N ATOM 0 H HIS A 60 5.310 4.703 5.728 1.00 0.00 H new ATOM 0 HA HIS A 60 4.352 1.952 6.323 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.500 4.290 8.211 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.232 2.598 8.581 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.967 5.160 8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.021 1.456 8.560 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.303 4.010 8.683 1.00 0.00 H new ATOM 861 N VAL A 61 1.932 2.721 6.336 1.00 0.00 N ATOM 862 CA VAL A 61 0.573 3.155 6.040 1.00 0.00 C ATOM 863 C VAL A 61 -0.431 2.465 6.955 1.00 0.00 C ATOM 864 O VAL A 61 -0.327 1.265 7.237 1.00 0.00 O ATOM 865 CB VAL A 61 0.295 2.970 4.529 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.073 1.537 4.135 1.00 0.00 C ATOM 867 CG2 VAL A 61 -0.774 3.959 4.046 1.00 0.00 C ATOM 0 H VAL A 61 2.019 1.747 6.627 1.00 0.00 H new ATOM 0 HA VAL A 61 0.458 4.218 6.251 1.00 0.00 H new ATOM 0 HB VAL A 61 1.238 3.184 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.253 1.490 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.746 0.866 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.974 1.233 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.953 3.810 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.700 3.791 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.430 4.979 4.217 1.00 0.00 H new ATOM 877 N ASN A 62 -1.432 3.227 7.396 1.00 0.00 N ATOM 878 CA ASN A 62 -2.544 2.768 8.209 1.00 0.00 C ATOM 879 C ASN A 62 -3.721 3.694 7.911 1.00 0.00 C ATOM 880 O ASN A 62 -3.875 4.719 8.562 1.00 0.00 O ATOM 881 CB ASN A 62 -2.137 2.782 9.700 1.00 0.00 C ATOM 882 CG ASN A 62 -2.172 1.394 10.309 1.00 0.00 C ATOM 883 OD1 ASN A 62 -2.905 1.155 11.262 1.00 0.00 O ATOM 884 ND2 ASN A 62 -1.403 0.457 9.785 1.00 0.00 N ATOM 0 H ASN A 62 -1.487 4.223 7.184 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.829 1.741 7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.134 3.196 9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.809 3.438 10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.412 -0.486 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.800 0.676 8.992 1.00 0.00 H new ATOM 891 N GLY A 63 -4.528 3.377 6.900 1.00 0.00 N ATOM 892 CA GLY A 63 -5.728 4.119 6.524 1.00 0.00 C ATOM 893 C GLY A 63 -5.442 5.603 6.315 1.00 0.00 C ATOM 894 O GLY A 63 -4.588 5.976 5.504 1.00 0.00 O ATOM 0 H GLY A 63 -4.358 2.569 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.142 3.697 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.485 4.002 7.300 1.00 0.00 H new ATOM 898 N SER A 64 -6.148 6.464 7.042 1.00 0.00 N ATOM 899 CA SER A 64 -5.894 7.894 7.108 1.00 0.00 C ATOM 900 C SER A 64 -4.754 8.180 8.092 1.00 0.00 C ATOM 901 O SER A 64 -4.934 8.930 9.049 1.00 0.00 O ATOM 902 CB SER A 64 -7.199 8.618 7.458 1.00 0.00 C ATOM 903 OG SER A 64 -7.805 8.106 8.638 1.00 0.00 O ATOM 0 H SER A 64 -6.937 6.173 7.619 1.00 0.00 H new ATOM 0 HA SER A 64 -5.563 8.274 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.997 9.681 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.897 8.526 6.626 1.00 0.00 H new ATOM 0 HG SER A 64 -8.632 8.599 8.822 1.00 0.00 H new ATOM 909 N SER A 65 -3.596 7.568 7.861 1.00 0.00 N ATOM 910 CA SER A 65 -2.340 7.846 8.530 1.00 0.00 C ATOM 911 C SER A 65 -1.227 7.480 7.551 1.00 0.00 C ATOM 912 O SER A 65 -1.363 6.537 6.761 1.00 0.00 O ATOM 913 CB SER A 65 -2.188 6.985 9.793 1.00 0.00 C ATOM 914 OG SER A 65 -3.339 6.993 10.616 1.00 0.00 O ATOM 0 H SER A 65 -3.510 6.827 7.165 1.00 0.00 H new ATOM 0 HA SER A 65 -2.300 8.894 8.826 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.966 5.959 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.335 7.344 10.369 1.00 0.00 H new ATOM 0 HG SER A 65 -3.962 6.300 10.313 1.00 0.00 H new ATOM 920 N VAL A 66 -0.104 8.182 7.620 1.00 0.00 N ATOM 921 CA VAL A 66 1.162 7.764 7.038 1.00 0.00 C ATOM 922 C VAL A 66 2.246 7.989 8.070 1.00 0.00 C ATOM 923 O VAL A 66 2.118 8.852 8.943 1.00 0.00 O ATOM 924 CB VAL A 66 1.513 8.529 5.740 1.00 0.00 C ATOM 925 CG1 VAL A 66 1.081 7.753 4.507 1.00 0.00 C ATOM 926 CG2 VAL A 66 0.979 9.959 5.651 1.00 0.00 C ATOM 0 H VAL A 66 -0.048 9.083 8.096 1.00 0.00 H new ATOM 0 HA VAL A 66 1.080 6.712 6.763 1.00 0.00 H new ATOM 0 HB VAL A 66 2.599 8.617 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.342 8.318 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.588 6.788 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.003 7.596 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.282 10.402 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.109 9.946 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.383 10.550 6.473 1.00 0.00 H new ATOM 936 N SER A 67 3.354 7.286 7.882 1.00 0.00 N ATOM 937 CA SER A 67 4.641 7.805 8.268 1.00 0.00 C ATOM 938 C SER A 67 5.583 7.474 7.123 1.00 0.00 C ATOM 939 O SER A 67 5.404 6.434 6.477 1.00 0.00 O ATOM 940 CB SER A 67 5.127 7.166 9.568 1.00 0.00 C ATOM 941 OG SER A 67 4.205 7.213 10.645 1.00 0.00 O ATOM 0 H SER A 67 3.379 6.356 7.464 1.00 0.00 H new ATOM 0 HA SER A 67 4.593 8.878 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.378 6.124 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.047 7.662 9.876 1.00 0.00 H new ATOM 0 HG SER A 67 4.599 6.781 11.432 1.00 0.00 H new ATOM 947 N TYR A 68 6.603 8.298 6.919 1.00 0.00 N ATOM 948 CA TYR A 68 7.764 7.929 6.135 1.00 0.00 C ATOM 949 C TYR A 68 8.993 8.298 6.986 1.00 0.00 C ATOM 950 O TYR A 68 8.863 9.080 7.935 1.00 0.00 O ATOM 951 CB TYR A 68 7.763 8.600 4.751 1.00 0.00 C ATOM 952 CG TYR A 68 6.408 8.664 4.075 1.00 0.00 C ATOM 953 CD1 TYR A 68 5.489 9.655 4.465 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.065 7.773 3.044 1.00 0.00 C ATOM 955 CE1 TYR A 68 4.260 9.774 3.809 1.00 0.00 C ATOM 956 CE2 TYR A 68 4.835 7.887 2.385 1.00 0.00 C ATOM 957 CZ TYR A 68 3.955 8.932 2.727 1.00 0.00 C ATOM 958 OH TYR A 68 2.855 9.174 1.971 1.00 0.00 O ATOM 0 H TYR A 68 6.644 9.245 7.297 1.00 0.00 H new ATOM 0 HA TYR A 68 7.768 6.862 5.913 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.150 9.614 4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.452 8.061 4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.734 10.327 5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.756 6.994 2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.544 10.514 4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.562 7.177 1.618 1.00 0.00 H new ATOM 0 HH TYR A 68 2.677 10.138 1.951 1.00 0.00 H new ATOM 968 N ASP A 69 10.175 7.772 6.672 1.00 0.00 N ATOM 969 CA ASP A 69 11.440 8.058 7.367 1.00 0.00 C ATOM 970 C ASP A 69 12.465 8.553 6.343 1.00 0.00 C ATOM 971 O ASP A 69 12.245 8.420 5.137 1.00 0.00 O ATOM 972 CB ASP A 69 11.950 6.784 8.065 1.00 0.00 C ATOM 973 CG ASP A 69 13.220 6.976 8.902 1.00 0.00 C ATOM 974 OD1 ASP A 69 13.424 8.056 9.502 1.00 0.00 O ATOM 975 OD2 ASP A 69 14.032 6.025 8.956 1.00 0.00 O ATOM 0 H ASP A 69 10.288 7.113 5.902 1.00 0.00 H new ATOM 0 HA ASP A 69 11.285 8.827 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.161 6.399 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.142 6.023 7.308 1.00 0.00 H new ATOM 980 N GLU A 70 13.597 9.088 6.799 1.00 0.00 N ATOM 981 CA GLU A 70 14.663 9.587 5.936 1.00 0.00 C ATOM 982 C GLU A 70 15.960 8.838 6.212 1.00 0.00 C ATOM 983 O GLU A 70 16.120 8.162 7.234 1.00 0.00 O ATOM 984 CB GLU A 70 14.773 11.111 6.059 1.00 0.00 C ATOM 985 CG GLU A 70 15.381 11.798 4.820 1.00 0.00 C ATOM 986 CD GLU A 70 16.859 12.144 4.943 1.00 0.00 C ATOM 987 OE1 GLU A 70 17.181 13.108 5.669 1.00 0.00 O ATOM 988 OE2 GLU A 70 17.670 11.425 4.321 1.00 0.00 O ATOM 0 H GLU A 70 13.801 9.188 7.793 1.00 0.00 H new ATOM 0 HA GLU A 70 14.426 9.390 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.780 11.523 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.382 11.352 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.245 11.146 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.824 12.713 4.619 1.00 0.00 H new ATOM 995 N ASN A 71 16.886 8.917 5.269 1.00 0.00 N ATOM 996 CA ASN A 71 18.021 8.021 5.139 1.00 0.00 C ATOM 997 C ASN A 71 19.242 8.543 5.901 1.00 0.00 C ATOM 998 O ASN A 71 19.241 9.680 6.366 1.00 0.00 O ATOM 999 CB ASN A 71 18.258 7.745 3.645 1.00 0.00 C ATOM 1000 CG ASN A 71 19.426 8.496 3.020 1.00 0.00 C ATOM 1001 OD1 ASN A 71 20.414 7.876 2.628 1.00 0.00 O ATOM 1002 ND2 ASN A 71 19.316 9.792 2.845 1.00 0.00 N ATOM 0 H ASN A 71 16.865 9.636 4.546 1.00 0.00 H new ATOM 0 HA ASN A 71 17.812 7.062 5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.422 6.676 3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.350 7.998 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.060 10.308 2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.487 10.283 3.179 1.00 0.00 H new ATOM 1009 N PRO A 72 20.255 7.692 6.122 1.00 0.00 N ATOM 1010 CA PRO A 72 21.395 8.047 6.945 1.00 0.00 C ATOM 1011 C PRO A 72 22.414 8.873 6.170 1.00 0.00 C ATOM 1012 O PRO A 72 23.080 9.723 6.760 1.00 0.00 O ATOM 1013 CB PRO A 72 21.982 6.706 7.389 1.00 0.00 C ATOM 1014 CG PRO A 72 21.655 5.766 6.232 1.00 0.00 C ATOM 1015 CD PRO A 72 20.336 6.303 5.701 1.00 0.00 C ATOM 0 HA PRO A 72 21.108 8.671 7.791 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.057 6.775 7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 72 21.535 6.363 8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.432 5.784 5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.562 4.733 6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.294 6.224 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 72 19.497 5.729 6.095 1.00 0.00 H new ATOM 1023 N ALA A 73 22.575 8.598 4.873 1.00 0.00 N ATOM 1024 CA ALA A 73 23.591 9.237 4.068 1.00 0.00 C ATOM 1025 C ALA A 73 23.056 10.555 3.530 1.00 0.00 C ATOM 1026 O ALA A 73 21.852 10.750 3.370 1.00 0.00 O ATOM 1027 CB ALA A 73 24.009 8.296 2.928 1.00 0.00 C ATOM 0 H ALA A 73 22.001 7.927 4.363 1.00 0.00 H new ATOM 0 HA ALA A 73 24.472 9.449 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.775 8.778 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.406 7.371 3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.143 8.070 2.306 1.00 0.00 H new ATOM 1033 N LYS A 74 23.959 11.421 3.078 1.00 0.00 N ATOM 1034 CA LYS A 74 23.568 12.615 2.338 1.00 0.00 C ATOM 1035 C LYS A 74 23.326 12.275 0.866 1.00 0.00 C ATOM 1036 O LYS A 74 23.265 13.172 0.023 1.00 0.00 O ATOM 1037 CB LYS A 74 24.567 13.754 2.571 1.00 0.00 C ATOM 1038 CG LYS A 74 26.001 13.344 2.218 1.00 0.00 C ATOM 1039 CD LYS A 74 26.754 14.498 1.562 1.00 0.00 C ATOM 1040 CE LYS A 74 28.059 13.954 0.992 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.548 14.767 -0.137 1.00 0.00 N ATOM 0 H LYS A 74 24.965 11.318 3.211 1.00 0.00 H new ATOM 0 HA LYS A 74 22.616 12.987 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.279 14.617 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.526 14.064 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.525 13.029 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 74 25.983 12.487 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.151 14.944 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.956 15.283 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.815 13.930 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.910 12.926 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.437 14.364 -0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 27.837 14.769 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.715 15.742 0.184 1.00 0.00 H new ATOM 1055 N GLU A 75 23.234 10.990 0.521 1.00 0.00 N ATOM 1056 CA GLU A 75 22.643 10.562 -0.733 1.00 0.00 C ATOM 1057 C GLU A 75 21.137 10.850 -0.679 1.00 0.00 C ATOM 1058 O GLU A 75 20.591 11.098 0.396 1.00 0.00 O ATOM 1059 CB GLU A 75 22.942 9.078 -0.983 1.00 0.00 C ATOM 1060 CG GLU A 75 24.433 8.845 -1.278 1.00 0.00 C ATOM 1061 CD GLU A 75 24.751 7.365 -1.488 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.670 6.586 -0.511 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.086 6.932 -2.613 1.00 0.00 O ATOM 0 H GLU A 75 23.568 10.224 1.106 1.00 0.00 H new ATOM 0 HA GLU A 75 23.074 11.112 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.647 8.495 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.344 8.722 -1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.719 9.407 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.031 9.230 -0.452 1.00 0.00 H new ATOM 1070 N ARG A 76 20.450 10.833 -1.825 1.00 0.00 N ATOM 1071 CA ARG A 76 19.068 11.293 -1.939 1.00 0.00 C ATOM 1072 C ARG A 76 18.206 10.170 -2.517 1.00 0.00 C ATOM 1073 O ARG A 76 18.615 9.531 -3.494 1.00 0.00 O ATOM 1074 CB ARG A 76 19.048 12.581 -2.784 1.00 0.00 C ATOM 1075 CG ARG A 76 17.777 13.353 -2.454 1.00 0.00 C ATOM 1076 CD ARG A 76 17.466 14.615 -3.263 1.00 0.00 C ATOM 1077 NE ARG A 76 17.508 14.361 -4.707 1.00 0.00 N ATOM 1078 CZ ARG A 76 17.089 15.196 -5.659 1.00 0.00 C ATOM 1079 NH1 ARG A 76 16.621 16.403 -5.376 1.00 0.00 N ATOM 1080 NH2 ARG A 76 17.126 14.793 -6.922 1.00 0.00 N ATOM 0 H ARG A 76 20.842 10.497 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 76 18.644 11.538 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 76 19.927 13.189 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.079 12.338 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.935 12.670 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.822 13.635 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.480 14.989 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 76 18.184 15.395 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 76 17.892 13.466 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.573 16.717 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.308 17.018 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.470 13.860 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.810 15.416 -7.666 1.00 0.00 H new ATOM 1094 N ARG A 77 17.043 9.888 -1.925 1.00 0.00 N ATOM 1095 CA ARG A 77 16.405 8.569 -2.006 1.00 0.00 C ATOM 1096 C ARG A 77 14.933 8.685 -2.418 1.00 0.00 C ATOM 1097 O ARG A 77 14.056 8.773 -1.561 1.00 0.00 O ATOM 1098 CB ARG A 77 16.538 7.865 -0.636 1.00 0.00 C ATOM 1099 CG ARG A 77 17.964 7.718 -0.075 1.00 0.00 C ATOM 1100 CD ARG A 77 18.804 6.613 -0.721 1.00 0.00 C ATOM 1101 NE ARG A 77 18.444 5.279 -0.202 1.00 0.00 N ATOM 1102 CZ ARG A 77 18.917 4.688 0.908 1.00 0.00 C ATOM 1103 NH1 ARG A 77 19.834 5.261 1.680 1.00 0.00 N ATOM 1104 NH2 ARG A 77 18.442 3.495 1.239 1.00 0.00 N ATOM 0 H ARG A 77 16.516 10.567 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 77 16.906 7.977 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.941 8.416 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.100 6.870 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.485 8.668 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.899 7.525 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.663 6.633 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.861 6.803 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 77 17.762 4.748 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.203 6.181 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.169 4.781 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.735 3.048 0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.784 3.024 2.077 1.00 0.00 H new ATOM 1118 N THR A 78 14.647 8.637 -3.720 1.00 0.00 N ATOM 1119 CA THR A 78 13.272 8.554 -4.203 1.00 0.00 C ATOM 1120 C THR A 78 12.709 7.159 -3.862 1.00 0.00 C ATOM 1121 O THR A 78 13.089 6.182 -4.516 1.00 0.00 O ATOM 1122 CB THR A 78 13.226 8.830 -5.717 1.00 0.00 C ATOM 1123 OG1 THR A 78 13.916 10.024 -6.055 1.00 0.00 O ATOM 1124 CG2 THR A 78 11.784 8.970 -6.222 1.00 0.00 C ATOM 0 H THR A 78 15.351 8.654 -4.458 1.00 0.00 H new ATOM 0 HA THR A 78 12.654 9.309 -3.716 1.00 0.00 H new ATOM 0 HB THR A 78 13.708 7.974 -6.190 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.868 10.167 -7.023 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.791 9.164 -7.295 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.238 8.048 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.297 9.798 -5.707 1.00 0.00 H new ATOM 1132 N GLY A 79 11.835 7.038 -2.857 1.00 0.00 N ATOM 1133 CA GLY A 79 11.117 5.793 -2.545 1.00 0.00 C ATOM 1134 C GLY A 79 9.913 5.600 -3.467 1.00 0.00 C ATOM 1135 O GLY A 79 9.465 6.578 -4.075 1.00 0.00 O ATOM 0 H GLY A 79 11.602 7.808 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.794 4.945 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.784 5.813 -1.507 1.00 0.00 H new ATOM 1139 N LEU A 80 9.389 4.368 -3.586 1.00 0.00 N ATOM 1140 CA LEU A 80 8.396 4.060 -4.624 1.00 0.00 C ATOM 1141 C LEU A 80 7.564 2.800 -4.321 1.00 0.00 C ATOM 1142 O LEU A 80 7.710 1.748 -4.956 1.00 0.00 O ATOM 1143 CB LEU A 80 9.130 3.885 -5.960 1.00 0.00 C ATOM 1144 CG LEU A 80 8.180 3.989 -7.163 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.754 5.433 -7.454 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.905 3.452 -8.396 1.00 0.00 C ATOM 0 H LEU A 80 9.633 3.581 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 80 7.691 4.890 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.908 4.644 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.627 2.915 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 80 7.284 3.415 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.084 5.448 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.239 5.843 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.636 6.036 -7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.247 3.517 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.802 4.044 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.184 2.412 -8.230 1.00 0.00 H new ATOM 1158 N VAL A 81 6.651 2.882 -3.368 1.00 0.00 N ATOM 1159 CA VAL A 81 5.757 1.791 -3.004 1.00 0.00 C ATOM 1160 C VAL A 81 4.492 1.840 -3.870 1.00 0.00 C ATOM 1161 O VAL A 81 4.073 2.909 -4.313 1.00 0.00 O ATOM 1162 CB VAL A 81 5.498 1.894 -1.484 1.00 0.00 C ATOM 1163 CG1 VAL A 81 4.316 1.098 -0.948 1.00 0.00 C ATOM 1164 CG2 VAL A 81 6.748 1.412 -0.736 1.00 0.00 C ATOM 0 H VAL A 81 6.506 3.725 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 81 6.194 0.812 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 81 5.259 2.944 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.234 1.248 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.400 1.436 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.466 0.039 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.578 1.480 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.957 0.377 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.599 2.037 -1.009 1.00 0.00 H new ATOM 1174 N THR A 82 3.879 0.684 -4.135 1.00 0.00 N ATOM 1175 CA THR A 82 2.548 0.590 -4.735 1.00 0.00 C ATOM 1176 C THR A 82 1.516 0.532 -3.607 1.00 0.00 C ATOM 1177 O THR A 82 1.800 -0.040 -2.553 1.00 0.00 O ATOM 1178 CB THR A 82 2.465 -0.700 -5.569 1.00 0.00 C ATOM 1179 OG1 THR A 82 3.502 -0.743 -6.536 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.131 -0.879 -6.310 1.00 0.00 C ATOM 0 H THR A 82 4.299 -0.224 -3.936 1.00 0.00 H new ATOM 0 HA THR A 82 2.356 1.450 -5.376 1.00 0.00 H new ATOM 0 HB THR A 82 2.562 -1.507 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.432 -1.572 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.151 -1.811 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.315 -0.910 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.980 -0.044 -6.994 1.00 0.00 H new ATOM 1188 N LEU A 83 0.303 1.042 -3.847 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.876 0.750 -3.040 1.00 0.00 C ATOM 1190 C LEU A 83 -2.088 0.586 -3.958 1.00 0.00 C ATOM 1191 O LEU A 83 -2.599 1.564 -4.511 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.152 1.789 -1.937 1.00 0.00 C ATOM 1193 CG LEU A 83 -0.991 3.276 -2.296 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -1.889 4.145 -1.407 1.00 0.00 C ATOM 1195 CD2 LEU A 83 0.447 3.772 -2.114 1.00 0.00 C ATOM 0 H LEU A 83 0.115 1.679 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.678 -0.181 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.172 1.639 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.488 1.573 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.271 3.362 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.761 5.194 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.931 3.858 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.614 4.002 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.504 4.827 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.747 3.644 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.114 3.198 -2.757 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.536 -0.655 -4.146 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.790 -1.009 -4.812 1.00 0.00 C ATOM 1209 C LYS A 84 -4.884 -1.201 -3.756 1.00 0.00 C ATOM 1210 O LYS A 84 -4.587 -1.733 -2.678 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.546 -2.304 -5.599 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.648 -2.611 -6.618 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.317 -3.932 -7.317 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.256 -4.234 -8.488 1.00 0.00 C ATOM 1215 NZ LYS A 84 -4.946 -5.552 -9.072 1.00 0.00 N ATOM 0 H LYS A 84 -2.016 -1.472 -3.827 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.116 -0.224 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.591 -2.231 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.465 -3.136 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.615 -2.679 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.722 -1.805 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.290 -3.898 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.373 -4.745 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.291 -4.215 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.158 -3.460 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.592 -5.741 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.965 -5.557 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.062 -6.289 -8.347 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.108 -0.765 -4.056 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.284 -0.910 -3.198 1.00 0.00 C ATOM 1231 C GLN A 85 -7.644 -2.391 -3.012 1.00 0.00 C ATOM 1232 O GLN A 85 -7.250 -3.232 -3.815 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.445 -0.136 -3.852 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.669 0.139 -2.973 1.00 0.00 C ATOM 1235 CD GLN A 85 -10.709 1.021 -3.658 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -11.749 0.536 -4.076 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.469 2.311 -3.786 1.00 0.00 N ATOM 0 H GLN A 85 -6.315 -0.285 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.079 -0.505 -2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.060 0.820 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.774 -0.693 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.130 -0.809 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.346 0.619 -2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.597 2.705 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.155 2.915 -4.238 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.465 -2.688 -2.001 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.063 -4.007 -1.762 1.00 0.00 C ATOM 1248 C ASP A 86 -9.865 -4.525 -2.962 1.00 0.00 C ATOM 1249 O ASP A 86 -9.856 -5.730 -3.232 1.00 0.00 O ATOM 1250 CB ASP A 86 -9.984 -3.940 -0.531 1.00 0.00 C ATOM 1251 CG ASP A 86 -10.793 -5.224 -0.274 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.204 -6.318 -0.109 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.036 -5.148 -0.160 1.00 0.00 O ATOM 0 H ASP A 86 -8.741 -1.997 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.241 -4.703 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.379 -3.724 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.676 -3.107 -0.655 1.00 0.00 H new ATOM 1258 N GLU A 87 -10.564 -3.621 -3.659 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.573 -3.968 -4.660 1.00 0.00 C ATOM 1260 C GLU A 87 -11.497 -3.161 -5.953 1.00 0.00 C ATOM 1261 O GLU A 87 -11.933 -3.656 -6.993 1.00 0.00 O ATOM 1262 CB GLU A 87 -12.961 -3.765 -4.057 1.00 0.00 C ATOM 1263 CG GLU A 87 -13.355 -4.837 -3.045 1.00 0.00 C ATOM 1264 CD GLU A 87 -14.729 -5.383 -3.387 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -15.750 -4.722 -3.074 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -14.823 -6.433 -4.056 1.00 0.00 O ATOM 0 H GLU A 87 -10.441 -2.615 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.377 -5.006 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.997 -2.790 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.697 -3.749 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.621 -5.643 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.360 -4.417 -2.039 1.00 0.00 H new ATOM 1273 N SER A 88 -10.997 -1.925 -5.908 1.00 0.00 N ATOM 1274 CA SER A 88 -10.621 -1.204 -7.119 1.00 0.00 C ATOM 1275 C SER A 88 -9.252 -1.734 -7.570 1.00 0.00 C ATOM 1276 O SER A 88 -8.885 -2.880 -7.298 1.00 0.00 O ATOM 1277 CB SER A 88 -10.691 0.318 -6.895 1.00 0.00 C ATOM 1278 OG SER A 88 -10.491 1.066 -8.078 1.00 0.00 O ATOM 0 H SER A 88 -10.844 -1.405 -5.044 1.00 0.00 H new ATOM 0 HA SER A 88 -11.323 -1.382 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.663 0.572 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.939 0.605 -6.160 1.00 0.00 H new ATOM 0 HG SER A 88 -10.969 1.919 -8.011 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.510 -0.936 -8.327 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.273 -1.386 -8.938 1.00 0.00 C ATOM 1286 C GLY A 89 -6.297 -0.274 -9.274 1.00 0.00 C ATOM 1287 O GLY A 89 -5.148 -0.580 -9.579 1.00 0.00 O ATOM 0 H GLY A 89 -8.749 0.034 -8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.785 -2.090 -8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.511 -1.932 -9.851 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.708 0.998 -9.221 1.00 0.00 N ATOM 1292 CA LYS A 90 -5.839 2.123 -9.488 1.00 0.00 C ATOM 1293 C LYS A 90 -4.665 2.129 -8.517 1.00 0.00 C ATOM 1294 O LYS A 90 -4.837 2.368 -7.320 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.665 3.408 -9.417 1.00 0.00 C ATOM 1296 CG LYS A 90 -6.615 4.180 -10.736 1.00 0.00 C ATOM 1297 CD LYS A 90 -5.434 5.158 -10.687 1.00 0.00 C ATOM 1298 CE LYS A 90 -5.007 5.765 -12.029 1.00 0.00 C ATOM 1299 NZ LYS A 90 -5.999 6.676 -12.645 1.00 0.00 N ATOM 0 H LYS A 90 -7.664 1.266 -8.988 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.412 2.046 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.700 3.164 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.290 4.039 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.501 3.491 -11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.548 4.721 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.690 5.971 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.577 4.640 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.075 6.311 -11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.797 4.955 -12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.342 6.264 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.800 6.808 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.553 7.596 -12.837 1.00 0.00 H new ATOM 1313 N THR A 91 -3.477 1.852 -9.021 1.00 0.00 N ATOM 1314 CA THR A 91 -2.268 1.850 -8.220 1.00 0.00 C ATOM 1315 C THR A 91 -1.888 3.305 -7.982 1.00 0.00 C ATOM 1316 O THR A 91 -1.640 4.045 -8.945 1.00 0.00 O ATOM 1317 CB THR A 91 -1.168 1.049 -8.927 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.009 1.447 -10.274 1.00 0.00 O ATOM 1319 CG2 THR A 91 -1.503 -0.447 -8.896 1.00 0.00 C ATOM 0 H THR A 91 -3.323 1.621 -10.003 1.00 0.00 H new ATOM 0 HA THR A 91 -2.418 1.362 -7.257 1.00 0.00 H new ATOM 0 HB THR A 91 -0.237 1.243 -8.394 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.120 2.418 -10.343 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.716 -1.007 -9.401 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.580 -0.781 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.452 -0.618 -9.404 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.894 3.754 -6.725 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.490 5.126 -6.447 1.00 0.00 C ATOM 1329 C LEU A 92 0.029 5.116 -6.376 1.00 0.00 C ATOM 1330 O LEU A 92 0.588 4.377 -5.561 1.00 0.00 O ATOM 1331 CB LEU A 92 -2.129 5.688 -5.171 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.669 5.637 -5.129 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -4.172 6.219 -3.805 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -4.333 6.398 -6.284 1.00 0.00 C ATOM 0 H LEU A 92 -2.166 3.205 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.840 5.793 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.740 5.136 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.813 6.724 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.944 4.587 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.261 6.180 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.770 5.637 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.844 7.254 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.417 6.322 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.038 7.447 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.016 5.967 -7.234 1.00 0.00 H new ATOM 1346 N SER A 93 0.699 5.855 -7.265 1.00 0.00 N ATOM 1347 CA SER A 93 2.148 5.998 -7.172 1.00 0.00 C ATOM 1348 C SER A 93 2.453 6.977 -6.032 1.00 0.00 C ATOM 1349 O SER A 93 1.716 7.949 -5.840 1.00 0.00 O ATOM 1350 CB SER A 93 2.766 6.484 -8.491 1.00 0.00 C ATOM 1351 OG SER A 93 2.240 5.817 -9.632 1.00 0.00 O ATOM 0 H SER A 93 0.267 6.354 -8.043 1.00 0.00 H new ATOM 0 HA SER A 93 2.593 5.024 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.595 7.556 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.845 6.336 -8.456 1.00 0.00 H new ATOM 0 HG SER A 93 2.667 6.167 -10.441 1.00 0.00 H new ATOM 1357 N LEU A 94 3.539 6.765 -5.300 1.00 0.00 N ATOM 1358 CA LEU A 94 3.854 7.481 -4.075 1.00 0.00 C ATOM 1359 C LEU A 94 5.345 7.792 -4.128 1.00 0.00 C ATOM 1360 O LEU A 94 6.160 6.879 -4.011 1.00 0.00 O ATOM 1361 CB LEU A 94 3.447 6.599 -2.881 1.00 0.00 C ATOM 1362 CG LEU A 94 3.298 7.351 -1.548 1.00 0.00 C ATOM 1363 CD1 LEU A 94 2.948 6.338 -0.452 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.521 8.175 -1.128 1.00 0.00 C ATOM 0 H LEU A 94 4.243 6.071 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 94 3.312 8.420 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.501 6.109 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.191 5.812 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 94 2.503 8.082 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.839 6.856 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.012 5.839 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.744 5.598 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.319 8.667 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.383 7.517 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.731 8.927 -1.888 1.00 0.00 H new ATOM 1376 N LYS A 95 5.717 9.048 -4.370 1.00 0.00 N ATOM 1377 CA LYS A 95 7.095 9.443 -4.651 1.00 0.00 C ATOM 1378 C LYS A 95 7.562 10.460 -3.629 1.00 0.00 C ATOM 1379 O LYS A 95 7.460 11.661 -3.844 1.00 0.00 O ATOM 1380 CB LYS A 95 7.188 9.993 -6.079 1.00 0.00 C ATOM 1381 CG LYS A 95 7.210 8.832 -7.061 1.00 0.00 C ATOM 1382 CD LYS A 95 7.245 9.293 -8.517 1.00 0.00 C ATOM 1383 CE LYS A 95 8.671 9.632 -8.969 1.00 0.00 C ATOM 1384 NZ LYS A 95 8.653 10.357 -10.251 1.00 0.00 N ATOM 0 H LYS A 95 5.061 9.829 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 95 7.751 8.576 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.339 10.645 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.088 10.597 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.081 8.208 -6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.329 8.210 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.837 8.511 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.607 10.169 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.164 10.239 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.253 8.716 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.628 10.577 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.202 9.766 -10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.116 11.241 -10.142 1.00 0.00 H new ATOM 1398 N ILE A 96 8.095 9.996 -2.510 1.00 0.00 N ATOM 1399 CA ILE A 96 8.808 10.899 -1.610 1.00 0.00 C ATOM 1400 C ILE A 96 10.056 11.322 -2.378 1.00 0.00 C ATOM 1401 O ILE A 96 10.816 10.451 -2.806 1.00 0.00 O ATOM 1402 CB ILE A 96 9.162 10.186 -0.289 1.00 0.00 C ATOM 1403 CG1 ILE A 96 7.884 9.606 0.353 1.00 0.00 C ATOM 1404 CG2 ILE A 96 9.905 11.100 0.698 1.00 0.00 C ATOM 1405 CD1 ILE A 96 7.889 8.086 0.223 1.00 0.00 C ATOM 0 H ILE A 96 8.052 9.024 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 96 8.206 11.763 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 96 9.847 9.373 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.832 9.891 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.001 10.020 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.129 10.546 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.835 11.445 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.279 11.959 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.986 7.679 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.921 7.811 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.764 7.680 0.730 1.00 0.00 H new ATOM 1417 N VAL A 97 10.272 12.622 -2.561 1.00 0.00 N ATOM 1418 CA VAL A 97 11.559 13.155 -2.963 1.00 0.00 C ATOM 1419 C VAL A 97 12.018 13.998 -1.787 1.00 0.00 C ATOM 1420 O VAL A 97 11.662 15.169 -1.679 1.00 0.00 O ATOM 1421 CB VAL A 97 11.449 13.910 -4.296 1.00 0.00 C ATOM 1422 CG1 VAL A 97 12.708 14.730 -4.619 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.271 12.918 -5.449 1.00 0.00 C ATOM 0 H VAL A 97 9.553 13.334 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 97 12.303 12.386 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 97 10.594 14.578 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.574 15.242 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.875 15.465 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.569 14.065 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.194 13.463 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.129 12.247 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.363 12.336 -5.292 1.00 0.00 H new ATOM 1433 N GLN A 98 12.789 13.387 -0.896 1.00 0.00 N ATOM 1434 CA GLN A 98 13.364 14.041 0.268 1.00 0.00 C ATOM 1435 C GLN A 98 14.864 14.258 0.048 1.00 0.00 C ATOM 1436 O GLN A 98 15.434 13.533 -0.777 1.00 0.00 O ATOM 1437 CB GLN A 98 13.060 13.188 1.502 1.00 0.00 C ATOM 1438 CG GLN A 98 13.613 11.754 1.504 1.00 0.00 C ATOM 1439 CD GLN A 98 13.044 10.980 2.691 1.00 0.00 C ATOM 1440 OE1 GLN A 98 12.496 11.559 3.619 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.173 9.668 2.711 1.00 0.00 N ATOM 0 H GLN A 98 13.036 12.400 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 98 12.925 15.026 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.452 13.705 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.978 13.135 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.351 11.253 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.701 11.775 1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.630 9.189 1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.815 9.132 3.502 1.00 0.00 H new ATOM 1450 N PRO A 99 15.494 15.217 0.752 1.00 0.00 N ATOM 1451 CA PRO A 99 16.944 15.438 0.779 1.00 0.00 C ATOM 1452 C PRO A 99 17.670 14.306 1.527 1.00 0.00 C ATOM 1453 O PRO A 99 17.120 13.215 1.677 1.00 0.00 O ATOM 1454 CB PRO A 99 17.117 16.829 1.402 1.00 0.00 C ATOM 1455 CG PRO A 99 15.933 16.905 2.355 1.00 0.00 C ATOM 1456 CD PRO A 99 14.829 16.238 1.554 1.00 0.00 C ATOM 0 HA PRO A 99 17.401 15.415 -0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.068 16.925 1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.086 17.618 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.130 16.381 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.684 17.934 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.080 15.795 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.312 16.959 0.921 1.00 0.00 H new ATOM 1464 N GLY A 100 18.935 14.527 1.901 1.00 0.00 N ATOM 1465 CA GLY A 100 19.778 13.533 2.550 1.00 0.00 C ATOM 1466 C GLY A 100 20.493 14.111 3.772 1.00 0.00 C ATOM 1467 O GLY A 100 20.926 15.274 3.753 1.00 0.00 O ATOM 0 H GLY A 100 19.405 15.421 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.169 12.681 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.515 13.161 1.839 1.00 0.00 H new ATOM 1471 N LYS A 101 20.639 13.279 4.805 1.00 0.00 N ATOM 1472 CA LYS A 101 21.059 13.619 6.169 1.00 0.00 C ATOM 1473 C LYS A 101 22.568 13.439 6.346 1.00 0.00 C ATOM 1474 O LYS A 101 23.188 12.693 5.594 1.00 0.00 O ATOM 1475 CB LYS A 101 20.285 12.676 7.119 1.00 0.00 C ATOM 1476 CG LYS A 101 19.717 13.365 8.368 1.00 0.00 C ATOM 1477 CD LYS A 101 18.821 12.446 9.221 1.00 0.00 C ATOM 1478 CE LYS A 101 17.625 11.840 8.471 1.00 0.00 C ATOM 1479 NZ LYS A 101 16.642 11.218 9.394 1.00 0.00 N ATOM 0 H LYS A 101 20.455 12.281 4.705 1.00 0.00 H new ATOM 0 HA LYS A 101 20.842 14.665 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 101 19.465 12.216 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.949 11.871 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.542 13.726 8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.141 14.239 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.431 11.635 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.448 13.014 10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.132 12.618 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.983 11.091 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.005 10.596 8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.146 10.659 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.086 11.962 9.861 1.00 0.00 H new