USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=35 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 38 SER OG : rot -98:sc= 0.0459 USER MOD Set 1.2: A 85 GLN : amide:sc= -2.23! C(o=-2.2!,f=-6.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 168:sc= 0 USER MOD Single : 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= -0.111 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -52:sc= 1.21 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 37:sc= 0.0113 USER MOD Single : A 37 THR OG1 : rot 75:sc= 0.0297 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.285) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -140:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00139 USER MOD Single : A 46 THR OG1 : rot 42:sc= 0.182 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= 0.079 (180deg=0.0223) USER MOD Single : A 50 SER OG : rot 180:sc= 0.201 USER MOD Single : A 52 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.18) USER MOD Single : A 54 SER OG : rot 43:sc= 0.0858 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 60 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0504 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.127 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.278 USER MOD Single : A 71 ASN : amide:sc= 0.975 K(o=0.98,f=-5.1!) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0203) 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 88 SER OG : rot 180:sc= 0.232 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= -0.732 (180deg=-0.836) USER MOD Single : A 91 THR OG1 : rot 37:sc= 0.0642 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=-0.00437 K(o=-0.0044,f=-0.99) USER MOD Single : A 101 LYS NZ :NH3+ -153:sc= 1.2 (180deg=0.846) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 7 -23.416 0.844 -8.648 1.00 0.00 N ATOM 75 CA VAL A 7 -22.500 0.939 -7.528 1.00 0.00 C ATOM 76 C VAL A 7 -21.282 1.743 -7.970 1.00 0.00 C ATOM 77 O VAL A 7 -20.408 1.244 -8.683 1.00 0.00 O ATOM 78 CB VAL A 7 -22.147 -0.457 -6.984 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.275 -0.260 -5.745 1.00 0.00 C ATOM 80 CG2 VAL A 7 -23.371 -1.282 -6.575 1.00 0.00 C ATOM 0 HA VAL A 7 -22.966 1.463 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.643 -1.004 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -21.005 -1.232 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.370 0.282 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -21.827 0.311 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -23.047 -2.253 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -23.919 -0.757 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -24.020 -1.424 -7.440 1.00 0.00 H new ATOM 90 N SER A 8 -21.239 2.999 -7.546 1.00 0.00 N ATOM 91 CA SER A 8 -20.212 3.956 -7.912 1.00 0.00 C ATOM 92 C SER A 8 -19.043 3.753 -6.961 1.00 0.00 C ATOM 93 O SER A 8 -19.217 3.823 -5.743 1.00 0.00 O ATOM 94 CB SER A 8 -20.787 5.371 -7.821 1.00 0.00 C ATOM 95 OG SER A 8 -21.939 5.456 -8.642 1.00 0.00 O ATOM 0 H SER A 8 -21.942 3.389 -6.918 1.00 0.00 H new ATOM 0 HA SER A 8 -19.868 3.812 -8.936 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.043 5.607 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.043 6.101 -8.140 1.00 0.00 H new ATOM 0 HG SER A 8 -22.314 6.360 -8.587 1.00 0.00 H new ATOM 101 N TYR A 9 -17.874 3.430 -7.501 1.00 0.00 N ATOM 102 CA TYR A 9 -16.641 3.339 -6.739 1.00 0.00 C ATOM 103 C TYR A 9 -15.903 4.658 -6.904 1.00 0.00 C ATOM 104 O TYR A 9 -15.753 5.145 -8.025 1.00 0.00 O ATOM 105 CB TYR A 9 -15.810 2.140 -7.217 1.00 0.00 C ATOM 106 CG TYR A 9 -16.046 0.885 -6.398 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.348 0.406 -6.162 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.950 0.230 -5.810 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.560 -0.710 -5.335 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.150 -0.879 -4.975 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.457 -1.346 -4.717 1.00 0.00 C ATOM 112 OH TYR A 9 -16.626 -2.359 -3.826 1.00 0.00 O ATOM 0 H TYR A 9 -17.757 3.222 -8.493 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.840 3.172 -5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -16.047 1.935 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.752 2.400 -7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.192 0.900 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.948 0.583 -6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.561 -1.081 -5.172 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.302 -1.377 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.763 -2.791 -3.654 1.00 0.00 H new ATOM 122 N TYR A 10 -15.428 5.213 -5.795 1.00 0.00 N ATOM 123 CA TYR A 10 -14.554 6.372 -5.753 1.00 0.00 C ATOM 124 C TYR A 10 -13.154 5.829 -5.493 1.00 0.00 C ATOM 125 O TYR A 10 -12.968 5.049 -4.551 1.00 0.00 O ATOM 126 CB TYR A 10 -15.009 7.328 -4.648 1.00 0.00 C ATOM 127 CG TYR A 10 -16.381 7.943 -4.864 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.549 7.231 -4.525 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.488 9.239 -5.403 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.818 7.806 -4.727 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.750 9.820 -5.607 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.924 9.108 -5.272 1.00 0.00 C ATOM 133 OH TYR A 10 -20.150 9.674 -5.475 1.00 0.00 O ATOM 0 H TYR A 10 -15.651 4.852 -4.867 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.575 6.942 -6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -15.012 6.790 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.277 8.130 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.470 6.238 -4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.595 9.789 -5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.709 7.255 -4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.824 10.815 -6.021 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.038 10.571 -5.854 1.00 0.00 H new ATOM 143 N PHE A 11 -12.204 6.139 -6.373 1.00 0.00 N ATOM 144 CA PHE A 11 -10.869 5.561 -6.361 1.00 0.00 C ATOM 145 C PHE A 11 -9.888 6.528 -7.028 1.00 0.00 C ATOM 146 O PHE A 11 -9.294 6.228 -8.061 1.00 0.00 O ATOM 147 CB PHE A 11 -10.879 4.142 -6.982 1.00 0.00 C ATOM 148 CG PHE A 11 -11.408 3.981 -8.394 1.00 0.00 C ATOM 149 CD1 PHE A 11 -12.791 3.923 -8.615 1.00 0.00 C ATOM 150 CD2 PHE A 11 -10.529 3.811 -9.480 1.00 0.00 C ATOM 151 CE1 PHE A 11 -13.305 3.682 -9.897 1.00 0.00 C ATOM 152 CE2 PHE A 11 -11.042 3.568 -10.764 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.426 3.479 -10.975 1.00 0.00 C ATOM 0 H PHE A 11 -12.347 6.811 -7.127 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.525 5.424 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.857 3.764 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.469 3.498 -6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.469 4.066 -7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.462 3.867 -9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.373 3.652 -10.056 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.365 3.448 -11.597 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.813 3.256 -11.958 1.00 0.00 H new ATOM 163 N SER A 12 -9.649 7.673 -6.389 1.00 0.00 N ATOM 164 CA SER A 12 -8.418 8.437 -6.565 1.00 0.00 C ATOM 165 C SER A 12 -8.169 9.310 -5.322 1.00 0.00 C ATOM 166 O SER A 12 -8.616 8.922 -4.241 1.00 0.00 O ATOM 167 CB SER A 12 -8.424 9.159 -7.920 1.00 0.00 C ATOM 168 OG SER A 12 -9.654 9.804 -8.184 1.00 0.00 O ATOM 0 H SER A 12 -10.306 8.096 -5.734 1.00 0.00 H new ATOM 0 HA SER A 12 -7.547 7.784 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.620 9.895 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.217 8.440 -8.712 1.00 0.00 H new ATOM 0 HG SER A 12 -9.609 10.250 -9.055 1.00 0.00 H new ATOM 174 N TYR A 13 -7.400 10.398 -5.419 1.00 0.00 N ATOM 175 CA TYR A 13 -7.318 11.431 -4.398 1.00 0.00 C ATOM 176 C TYR A 13 -8.483 12.399 -4.603 1.00 0.00 C ATOM 177 O TYR A 13 -8.926 12.616 -5.734 1.00 0.00 O ATOM 178 CB TYR A 13 -6.007 12.210 -4.550 1.00 0.00 C ATOM 179 CG TYR A 13 -4.741 11.562 -4.006 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.387 11.800 -2.667 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.842 10.865 -4.844 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.150 11.362 -2.174 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.583 10.447 -4.363 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.244 10.681 -3.015 1.00 0.00 C ATOM 185 OH TYR A 13 -1.036 10.278 -2.534 1.00 0.00 O ATOM 0 H TYR A 13 -6.807 10.584 -6.228 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.357 10.975 -3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.855 12.409 -5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.130 13.175 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.071 12.323 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.122 10.650 -5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.888 11.547 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.885 9.952 -5.022 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.536 9.824 -3.244 1.00 0.00 H new ATOM 195 N ALA A 14 -8.927 13.037 -3.520 1.00 0.00 N ATOM 196 CA ALA A 14 -9.988 14.036 -3.549 1.00 0.00 C ATOM 197 C ALA A 14 -9.478 15.379 -4.055 1.00 0.00 C ATOM 198 O ALA A 14 -10.254 16.145 -4.620 1.00 0.00 O ATOM 199 CB ALA A 14 -10.587 14.190 -2.152 1.00 0.00 C ATOM 0 H ALA A 14 -8.552 12.870 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.758 13.695 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.380 14.937 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.998 13.235 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.810 14.508 -1.456 1.00 0.00 H new ATOM 205 N ASP A 15 -8.163 15.623 -3.948 1.00 0.00 N ATOM 206 CA ASP A 15 -7.482 16.690 -4.682 1.00 0.00 C ATOM 207 C ASP A 15 -7.599 16.506 -6.200 1.00 0.00 C ATOM 208 O ASP A 15 -7.259 17.419 -6.949 1.00 0.00 O ATOM 209 CB ASP A 15 -6.018 16.868 -4.229 1.00 0.00 C ATOM 210 CG ASP A 15 -5.104 15.662 -4.451 1.00 0.00 C ATOM 211 OD1 ASP A 15 -4.970 15.149 -5.585 1.00 0.00 O ATOM 212 OD2 ASP A 15 -4.459 15.244 -3.455 1.00 0.00 O ATOM 0 H ASP A 15 -7.543 15.081 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.997 17.618 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.595 17.723 -4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.013 17.114 -3.167 1.00 0.00 H new ATOM 217 N GLY A 16 -8.154 15.385 -6.668 1.00 0.00 N ATOM 218 CA GLY A 16 -8.546 15.204 -8.050 1.00 0.00 C ATOM 219 C GLY A 16 -7.397 14.696 -8.906 1.00 0.00 C ATOM 220 O GLY A 16 -7.536 14.665 -10.131 1.00 0.00 O ATOM 0 H GLY A 16 -8.342 14.572 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.376 14.499 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.906 16.151 -8.452 1.00 0.00 H new ATOM 224 N GLY A 17 -6.283 14.288 -8.298 1.00 0.00 N ATOM 225 CA GLY A 17 -5.126 13.758 -9.001 1.00 0.00 C ATOM 226 C GLY A 17 -5.010 12.244 -8.844 1.00 0.00 C ATOM 227 O GLY A 17 -5.907 11.579 -8.300 1.00 0.00 O ATOM 0 H GLY A 17 -6.162 14.319 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.198 14.009 -10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.221 14.233 -8.621 1.00 0.00 H new ATOM 231 N THR A 18 -3.915 11.683 -9.358 1.00 0.00 N ATOM 232 CA THR A 18 -3.592 10.265 -9.249 1.00 0.00 C ATOM 233 C THR A 18 -2.180 10.025 -8.725 1.00 0.00 C ATOM 234 O THR A 18 -1.641 8.943 -8.956 1.00 0.00 O ATOM 235 CB THR A 18 -3.940 9.490 -10.542 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.426 10.096 -11.713 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.457 9.360 -10.701 1.00 0.00 C ATOM 0 H THR A 18 -3.214 12.216 -9.873 1.00 0.00 H new ATOM 0 HA THR A 18 -4.240 9.840 -8.482 1.00 0.00 H new ATOM 0 HB THR A 18 -3.473 8.511 -10.431 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.676 9.561 -12.495 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.681 8.812 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.868 8.822 -9.846 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.904 10.353 -10.754 1.00 0.00 H new ATOM 245 N SER A 19 -1.542 10.985 -8.045 1.00 0.00 N ATOM 246 CA SER A 19 -0.201 10.771 -7.506 1.00 0.00 C ATOM 247 C SER A 19 0.157 11.762 -6.402 1.00 0.00 C ATOM 248 O SER A 19 -0.615 12.663 -6.085 1.00 0.00 O ATOM 249 CB SER A 19 0.820 10.888 -8.647 1.00 0.00 C ATOM 250 OG SER A 19 1.918 10.033 -8.389 1.00 0.00 O ATOM 0 H SER A 19 -1.932 11.909 -7.858 1.00 0.00 H new ATOM 0 HA SER A 19 -0.180 9.776 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.353 10.622 -9.595 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.162 11.919 -8.739 1.00 0.00 H new ATOM 0 HG SER A 19 2.568 10.107 -9.118 1.00 0.00 H new ATOM 256 N HIS A 20 1.355 11.589 -5.841 1.00 0.00 N ATOM 257 CA HIS A 20 1.988 12.582 -4.978 1.00 0.00 C ATOM 258 C HIS A 20 3.513 12.504 -5.146 1.00 0.00 C ATOM 259 O HIS A 20 4.057 11.391 -5.110 1.00 0.00 O ATOM 260 CB HIS A 20 1.559 12.308 -3.528 1.00 0.00 C ATOM 261 CG HIS A 20 1.525 13.523 -2.641 1.00 0.00 C ATOM 262 ND1 HIS A 20 0.571 14.523 -2.674 1.00 0.00 N ATOM 263 CD2 HIS A 20 2.362 13.777 -1.585 1.00 0.00 C ATOM 264 CE1 HIS A 20 0.842 15.364 -1.662 1.00 0.00 C ATOM 265 NE2 HIS A 20 1.914 14.944 -0.968 1.00 0.00 N ATOM 0 H HIS A 20 1.916 10.748 -5.975 1.00 0.00 H new ATOM 0 HA HIS A 20 1.677 13.591 -5.248 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.568 11.854 -3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.241 11.577 -3.094 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.212 13.182 -1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.276 16.256 -1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.321 15.393 -0.148 1.00 0.00 H new ATOM 273 N THR A 21 4.211 13.640 -5.267 1.00 0.00 N ATOM 274 CA THR A 21 5.675 13.723 -5.258 1.00 0.00 C ATOM 275 C THR A 21 6.115 14.931 -4.432 1.00 0.00 C ATOM 276 O THR A 21 5.963 16.069 -4.873 1.00 0.00 O ATOM 277 CB THR A 21 6.294 13.815 -6.660 1.00 0.00 C ATOM 278 OG1 THR A 21 5.688 12.921 -7.575 1.00 0.00 O ATOM 279 CG2 THR A 21 7.805 13.539 -6.582 1.00 0.00 C ATOM 0 H THR A 21 3.761 14.549 -5.377 1.00 0.00 H new ATOM 0 HA THR A 21 6.034 12.794 -4.815 1.00 0.00 H new ATOM 0 HB THR A 21 6.119 14.826 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.112 13.015 -8.454 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.239 13.606 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.276 14.276 -5.931 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.972 12.540 -6.180 1.00 0.00 H new ATOM 287 N GLU A 22 6.679 14.690 -3.253 1.00 0.00 N ATOM 288 CA GLU A 22 7.233 15.752 -2.424 1.00 0.00 C ATOM 289 C GLU A 22 8.763 15.776 -2.526 1.00 0.00 C ATOM 290 O GLU A 22 9.397 14.759 -2.841 1.00 0.00 O ATOM 291 CB GLU A 22 6.772 15.560 -0.975 1.00 0.00 C ATOM 292 CG GLU A 22 6.703 16.876 -0.201 1.00 0.00 C ATOM 293 CD GLU A 22 5.516 17.724 -0.644 1.00 0.00 C ATOM 294 OE1 GLU A 22 5.675 18.462 -1.643 1.00 0.00 O ATOM 295 OE2 GLU A 22 4.461 17.674 0.037 1.00 0.00 O ATOM 0 H GLU A 22 6.764 13.758 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 22 6.869 16.716 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.790 15.088 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.456 14.880 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.625 16.668 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.627 17.435 -0.350 1.00 0.00 H new ATOM 302 N TYR A 23 9.330 16.935 -2.199 1.00 0.00 N ATOM 303 CA TYR A 23 10.748 17.250 -2.281 1.00 0.00 C ATOM 304 C TYR A 23 11.199 18.016 -1.012 1.00 0.00 C ATOM 305 O TYR A 23 11.663 19.157 -1.129 1.00 0.00 O ATOM 306 CB TYR A 23 10.964 18.074 -3.561 1.00 0.00 C ATOM 307 CG TYR A 23 10.658 17.373 -4.872 1.00 0.00 C ATOM 308 CD1 TYR A 23 9.362 17.401 -5.425 1.00 0.00 C ATOM 309 CD2 TYR A 23 11.690 16.715 -5.562 1.00 0.00 C ATOM 310 CE1 TYR A 23 9.108 16.819 -6.679 1.00 0.00 C ATOM 311 CE2 TYR A 23 11.442 16.115 -6.808 1.00 0.00 C ATOM 312 CZ TYR A 23 10.155 16.187 -7.383 1.00 0.00 C ATOM 313 OH TYR A 23 9.924 15.649 -8.613 1.00 0.00 O ATOM 0 H TYR A 23 8.779 17.720 -1.851 1.00 0.00 H new ATOM 0 HA TYR A 23 11.352 16.344 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.346 18.970 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.002 18.404 -3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.558 17.873 -4.881 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.680 16.670 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.115 16.855 -7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.236 15.598 -7.326 1.00 0.00 H new ATOM 0 HH TYR A 23 10.752 15.254 -8.958 1.00 0.00 H new ATOM 323 N PRO A 24 11.002 17.477 0.208 1.00 0.00 N ATOM 324 CA PRO A 24 11.361 18.168 1.452 1.00 0.00 C ATOM 325 C PRO A 24 12.884 18.200 1.643 1.00 0.00 C ATOM 326 O PRO A 24 13.613 17.648 0.815 1.00 0.00 O ATOM 327 CB PRO A 24 10.639 17.388 2.555 1.00 0.00 C ATOM 328 CG PRO A 24 10.631 15.964 2.013 1.00 0.00 C ATOM 329 CD PRO A 24 10.480 16.152 0.507 1.00 0.00 C ATOM 0 HA PRO A 24 11.060 19.215 1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.164 17.455 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.629 17.763 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.552 15.436 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.808 15.382 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.030 15.385 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.435 16.069 0.207 1.00 0.00 H new ATOM 337 N ASP A 25 13.380 18.837 2.713 1.00 0.00 N ATOM 338 CA ASP A 25 14.774 18.816 3.127 1.00 0.00 C ATOM 339 C ASP A 25 14.931 19.140 4.614 1.00 0.00 C ATOM 340 O ASP A 25 13.959 19.472 5.297 1.00 0.00 O ATOM 341 CB ASP A 25 15.618 19.765 2.257 1.00 0.00 C ATOM 342 CG ASP A 25 15.551 21.246 2.612 1.00 0.00 C ATOM 343 OD1 ASP A 25 14.639 21.929 2.090 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.525 21.744 3.232 1.00 0.00 O ATOM 0 H ASP A 25 12.794 19.399 3.330 1.00 0.00 H new ATOM 0 HA ASP A 25 15.144 17.801 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.659 19.446 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.305 19.647 1.220 1.00 0.00 H new ATOM 349 N ASP A 26 16.178 19.055 5.090 1.00 0.00 N ATOM 350 CA ASP A 26 16.638 19.190 6.472 1.00 0.00 C ATOM 351 C ASP A 26 16.136 18.068 7.389 1.00 0.00 C ATOM 352 O ASP A 26 16.907 17.140 7.646 1.00 0.00 O ATOM 353 CB ASP A 26 16.420 20.601 7.032 1.00 0.00 C ATOM 354 CG ASP A 26 16.739 20.616 8.521 1.00 0.00 C ATOM 355 OD1 ASP A 26 17.928 20.444 8.879 1.00 0.00 O ATOM 356 OD2 ASP A 26 15.783 20.757 9.314 1.00 0.00 O ATOM 0 H ASP A 26 16.959 18.874 4.459 1.00 0.00 H new ATOM 0 HA ASP A 26 17.720 19.057 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.056 21.314 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.389 20.913 6.868 1.00 0.00 H new ATOM 361 N SER A 27 14.903 18.154 7.896 1.00 0.00 N ATOM 362 CA SER A 27 14.341 17.223 8.861 1.00 0.00 C ATOM 363 C SER A 27 12.817 17.038 8.725 1.00 0.00 C ATOM 364 O SER A 27 12.190 16.420 9.594 1.00 0.00 O ATOM 365 CB SER A 27 14.754 17.710 10.252 1.00 0.00 C ATOM 366 OG SER A 27 14.295 19.018 10.562 1.00 0.00 O ATOM 0 H SER A 27 14.255 18.897 7.635 1.00 0.00 H new ATOM 0 HA SER A 27 14.737 16.225 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.371 17.014 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.841 17.690 10.326 1.00 0.00 H new ATOM 0 HG SER A 27 14.547 19.632 9.841 1.00 0.00 H new ATOM 372 N SER A 28 12.188 17.609 7.690 1.00 0.00 N ATOM 373 CA SER A 28 10.743 17.561 7.519 1.00 0.00 C ATOM 374 C SER A 28 10.290 16.205 6.959 1.00 0.00 C ATOM 375 O SER A 28 10.061 16.044 5.754 1.00 0.00 O ATOM 376 CB SER A 28 10.277 18.713 6.634 1.00 0.00 C ATOM 377 OG SER A 28 10.732 19.968 7.121 1.00 0.00 O ATOM 0 H SER A 28 12.674 18.116 6.950 1.00 0.00 H new ATOM 0 HA SER A 28 10.279 17.674 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.643 18.563 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.188 18.715 6.583 1.00 0.00 H new ATOM 0 HG SER A 28 10.417 20.682 6.529 1.00 0.00 H new ATOM 383 N ALA A 29 10.077 15.252 7.857 1.00 0.00 N ATOM 384 CA ALA A 29 9.463 13.956 7.619 1.00 0.00 C ATOM 385 C ALA A 29 8.640 13.577 8.846 1.00 0.00 C ATOM 386 O ALA A 29 8.960 14.016 9.952 1.00 0.00 O ATOM 387 CB ALA A 29 10.559 12.921 7.365 1.00 0.00 C ATOM 0 H ALA A 29 10.347 15.373 8.833 1.00 0.00 H new ATOM 0 HA ALA A 29 8.811 13.993 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.105 11.947 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.142 13.215 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.213 12.862 8.235 1.00 0.00 H new ATOM 393 N GLY A 30 7.607 12.746 8.678 1.00 0.00 N ATOM 394 CA GLY A 30 6.793 12.304 9.791 1.00 0.00 C ATOM 395 C GLY A 30 5.375 12.015 9.341 1.00 0.00 C ATOM 396 O GLY A 30 4.955 12.474 8.272 1.00 0.00 O ATOM 0 H GLY A 30 7.322 12.370 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.229 11.408 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.784 13.069 10.567 1.00 0.00 H new ATOM 400 N SER A 31 4.652 11.245 10.147 1.00 0.00 N ATOM 401 CA SER A 31 3.398 10.632 9.747 1.00 0.00 C ATOM 402 C SER A 31 2.313 11.671 9.493 1.00 0.00 C ATOM 403 O SER A 31 2.036 12.518 10.350 1.00 0.00 O ATOM 404 CB SER A 31 2.964 9.603 10.801 1.00 0.00 C ATOM 405 OG SER A 31 2.972 10.143 12.116 1.00 0.00 O ATOM 0 H SER A 31 4.926 11.029 11.105 1.00 0.00 H new ATOM 0 HA SER A 31 3.554 10.115 8.800 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.963 9.244 10.564 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.630 8.741 10.760 1.00 0.00 H new ATOM 0 HG SER A 31 2.675 11.076 12.088 1.00 0.00 H new ATOM 411 N PHE A 32 1.643 11.577 8.352 1.00 0.00 N ATOM 412 CA PHE A 32 0.449 12.361 8.053 1.00 0.00 C ATOM 413 C PHE A 32 -0.707 11.484 7.568 1.00 0.00 C ATOM 414 O PHE A 32 -0.671 10.255 7.661 1.00 0.00 O ATOM 415 CB PHE A 32 0.802 13.533 7.125 1.00 0.00 C ATOM 416 CG PHE A 32 1.554 13.220 5.847 1.00 0.00 C ATOM 417 CD1 PHE A 32 0.899 12.720 4.707 1.00 0.00 C ATOM 418 CD2 PHE A 32 2.916 13.550 5.767 1.00 0.00 C ATOM 419 CE1 PHE A 32 1.603 12.582 3.499 1.00 0.00 C ATOM 420 CE2 PHE A 32 3.597 13.486 4.543 1.00 0.00 C ATOM 421 CZ PHE A 32 2.933 13.019 3.401 1.00 0.00 C ATOM 0 H PHE A 32 1.916 10.947 7.598 1.00 0.00 H new ATOM 0 HA PHE A 32 0.073 12.808 8.974 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.126 14.036 6.853 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.396 14.246 7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.143 12.443 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.445 13.856 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.119 12.138 2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.630 13.796 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.443 12.995 2.449 1.00 0.00 H new ATOM 431 N ILE A 33 -1.777 12.131 7.112 1.00 0.00 N ATOM 432 CA ILE A 33 -2.943 11.550 6.474 1.00 0.00 C ATOM 433 C ILE A 33 -3.090 12.299 5.145 1.00 0.00 C ATOM 434 O ILE A 33 -2.515 13.376 4.961 1.00 0.00 O ATOM 435 CB ILE A 33 -4.173 11.670 7.412 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.835 11.074 8.802 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.406 10.979 6.794 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.983 11.112 9.810 1.00 0.00 C ATOM 0 H ILE A 33 -1.852 13.146 7.187 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.849 10.482 6.278 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.418 12.725 7.537 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.519 10.039 8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.986 11.617 9.218 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.255 11.077 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.646 11.448 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.189 9.923 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.654 10.674 10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.287 12.145 9.976 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.828 10.543 9.421 1.00 0.00 H new ATOM 450 N LEU A 34 -3.816 11.725 4.189 1.00 0.00 N ATOM 451 CA LEU A 34 -4.063 12.322 2.888 1.00 0.00 C ATOM 452 C LEU A 34 -5.542 12.167 2.557 1.00 0.00 C ATOM 453 O LEU A 34 -6.218 11.260 3.057 1.00 0.00 O ATOM 454 CB LEU A 34 -3.208 11.605 1.835 1.00 0.00 C ATOM 455 CG LEU A 34 -1.697 11.886 1.904 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.946 10.842 1.065 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.370 13.300 1.414 1.00 0.00 C ATOM 0 H LEU A 34 -4.257 10.812 4.304 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.800 13.380 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.365 10.531 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.568 11.889 0.846 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.378 11.817 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.125 11.039 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.149 9.846 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.280 10.899 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.295 13.467 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.696 13.411 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.887 14.030 2.038 1.00 0.00 H new ATOM 469 N ASP A 35 -6.034 13.001 1.645 1.00 0.00 N ATOM 470 CA ASP A 35 -7.447 13.095 1.270 1.00 0.00 C ATOM 471 C ASP A 35 -7.810 12.028 0.237 1.00 0.00 C ATOM 472 O ASP A 35 -8.478 12.277 -0.767 1.00 0.00 O ATOM 473 CB ASP A 35 -7.771 14.520 0.809 1.00 0.00 C ATOM 474 CG ASP A 35 -7.657 15.491 1.971 1.00 0.00 C ATOM 475 OD1 ASP A 35 -8.678 15.673 2.679 1.00 0.00 O ATOM 476 OD2 ASP A 35 -6.550 16.048 2.157 1.00 0.00 O ATOM 0 H ASP A 35 -5.443 13.652 1.128 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.070 12.892 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.089 14.815 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.779 14.555 0.395 1.00 0.00 H new ATOM 481 N ILE A 36 -7.331 10.810 0.458 1.00 0.00 N ATOM 482 CA ILE A 36 -7.482 9.674 -0.432 1.00 0.00 C ATOM 483 C ILE A 36 -8.941 9.221 -0.399 1.00 0.00 C ATOM 484 O ILE A 36 -9.580 9.243 0.661 1.00 0.00 O ATOM 485 CB ILE A 36 -6.492 8.576 0.009 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.048 9.102 -0.153 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.676 7.323 -0.846 1.00 0.00 C ATOM 488 CD1 ILE A 36 -3.970 8.186 0.421 1.00 0.00 C ATOM 0 H ILE A 36 -6.804 10.581 1.301 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.247 9.927 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.681 8.321 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.848 9.256 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.974 10.076 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.971 6.556 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.694 6.951 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.494 7.567 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.989 8.634 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.139 8.051 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.011 7.218 -0.078 1.00 0.00 H new ATOM 500 N THR A 37 -9.473 8.806 -1.543 1.00 0.00 N ATOM 501 CA THR A 37 -10.867 8.447 -1.736 1.00 0.00 C ATOM 502 C THR A 37 -10.939 6.938 -2.001 1.00 0.00 C ATOM 503 O THR A 37 -10.538 6.467 -3.068 1.00 0.00 O ATOM 504 CB THR A 37 -11.463 9.299 -2.876 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.892 10.594 -2.949 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.955 9.496 -2.643 1.00 0.00 C ATOM 0 H THR A 37 -8.920 8.708 -2.394 1.00 0.00 H new ATOM 0 HA THR A 37 -11.466 8.657 -0.850 1.00 0.00 H new ATOM 0 HB THR A 37 -11.254 8.759 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.993 10.534 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.373 10.098 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.451 8.526 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.111 10.005 -1.692 1.00 0.00 H new ATOM 514 N SER A 38 -11.404 6.174 -1.011 1.00 0.00 N ATOM 515 CA SER A 38 -11.355 4.717 -1.014 1.00 0.00 C ATOM 516 C SER A 38 -12.690 4.145 -0.537 1.00 0.00 C ATOM 517 O SER A 38 -12.774 3.538 0.531 1.00 0.00 O ATOM 518 CB SER A 38 -10.189 4.257 -0.127 1.00 0.00 C ATOM 519 OG SER A 38 -8.951 4.771 -0.575 1.00 0.00 O ATOM 0 H SER A 38 -11.833 6.561 -0.170 1.00 0.00 H new ATOM 0 HA SER A 38 -11.188 4.347 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.365 4.578 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.148 3.168 -0.118 1.00 0.00 H new ATOM 0 HG SER A 38 -8.487 4.090 -1.106 1.00 0.00 H new ATOM 525 N TYR A 39 -13.764 4.345 -1.307 1.00 0.00 N ATOM 526 CA TYR A 39 -15.087 3.864 -0.908 1.00 0.00 C ATOM 527 C TYR A 39 -15.971 3.535 -2.116 1.00 0.00 C ATOM 528 O TYR A 39 -15.607 3.817 -3.263 1.00 0.00 O ATOM 529 CB TYR A 39 -15.743 4.881 0.054 1.00 0.00 C ATOM 530 CG TYR A 39 -16.087 6.266 -0.493 1.00 0.00 C ATOM 531 CD1 TYR A 39 -15.154 7.324 -0.455 1.00 0.00 C ATOM 532 CD2 TYR A 39 -17.396 6.538 -0.933 1.00 0.00 C ATOM 533 CE1 TYR A 39 -15.537 8.625 -0.833 1.00 0.00 C ATOM 534 CE2 TYR A 39 -17.769 7.823 -1.362 1.00 0.00 C ATOM 535 CZ TYR A 39 -16.833 8.876 -1.327 1.00 0.00 C ATOM 536 OH TYR A 39 -17.205 10.120 -1.742 1.00 0.00 O ATOM 0 H TYR A 39 -13.743 4.833 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.969 2.922 -0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.661 4.435 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.075 5.014 0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.140 7.135 -0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -18.128 5.744 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -14.832 9.438 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.772 8.004 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 39 -18.135 10.097 -2.050 1.00 0.00 H new ATOM 546 N LYS A 40 -17.129 2.914 -1.870 1.00 0.00 N ATOM 547 CA LYS A 40 -18.232 2.819 -2.826 1.00 0.00 C ATOM 548 C LYS A 40 -19.373 3.674 -2.319 1.00 0.00 C ATOM 549 O LYS A 40 -19.457 3.888 -1.114 1.00 0.00 O ATOM 550 CB LYS A 40 -18.697 1.362 -3.015 1.00 0.00 C ATOM 551 CG LYS A 40 -19.479 0.743 -1.833 1.00 0.00 C ATOM 552 CD LYS A 40 -20.478 -0.327 -2.290 1.00 0.00 C ATOM 553 CE LYS A 40 -21.380 -0.705 -1.109 1.00 0.00 C ATOM 554 NZ LYS A 40 -22.391 -1.740 -1.400 1.00 0.00 N ATOM 0 H LYS A 40 -17.328 2.454 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.893 3.174 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.324 1.314 -3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.821 0.744 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.776 0.302 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.012 1.531 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.079 0.049 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.947 -1.206 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.752 -1.053 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.891 0.192 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.150 -1.693 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.791 -1.578 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.945 -2.679 -1.369 1.00 0.00 H new ATOM 568 N LYS A 41 -20.318 4.059 -3.169 1.00 0.00 N ATOM 569 CA LYS A 41 -21.590 4.632 -2.750 1.00 0.00 C ATOM 570 C LYS A 41 -22.687 4.002 -3.582 1.00 0.00 C ATOM 571 O LYS A 41 -22.533 3.867 -4.802 1.00 0.00 O ATOM 572 CB LYS A 41 -21.549 6.146 -2.938 1.00 0.00 C ATOM 573 CG LYS A 41 -22.690 6.860 -2.209 1.00 0.00 C ATOM 574 CD LYS A 41 -22.484 8.381 -2.237 1.00 0.00 C ATOM 575 CE LYS A 41 -22.752 8.982 -0.846 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.987 10.436 -0.904 1.00 0.00 N ATOM 0 H LYS A 41 -20.220 3.981 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.783 4.432 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.595 6.528 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.601 6.378 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.641 6.608 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.742 6.514 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.466 8.611 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.152 8.832 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.619 8.493 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.902 8.779 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.163 10.798 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.150 10.907 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.814 10.630 -1.504 1.00 0.00 H new ATOM 590 N THR A 42 -23.761 3.586 -2.921 1.00 0.00 N ATOM 591 CA THR A 42 -24.944 3.018 -3.543 1.00 0.00 C ATOM 592 C THR A 42 -26.025 2.866 -2.476 1.00 0.00 C ATOM 593 O THR A 42 -25.716 2.714 -1.285 1.00 0.00 O ATOM 594 CB THR A 42 -24.588 1.673 -4.210 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.674 1.127 -4.926 1.00 0.00 O ATOM 596 CG2 THR A 42 -24.077 0.628 -3.217 1.00 0.00 C ATOM 0 H THR A 42 -23.831 3.638 -1.905 1.00 0.00 H new ATOM 0 HA THR A 42 -25.324 3.673 -4.327 1.00 0.00 H new ATOM 0 HB THR A 42 -23.782 1.913 -4.904 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.702 0.157 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.844 -0.295 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.178 1.001 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.844 0.432 -2.468 1.00 0.00 H new ATOM 604 N GLY A 43 -27.281 2.813 -2.923 1.00 0.00 N ATOM 605 CA GLY A 43 -28.447 2.615 -2.086 1.00 0.00 C ATOM 606 C GLY A 43 -28.563 3.774 -1.111 1.00 0.00 C ATOM 607 O GLY A 43 -29.131 4.808 -1.462 1.00 0.00 O ATOM 0 H GLY A 43 -27.513 2.911 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.345 2.550 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.364 1.674 -1.543 1.00 0.00 H new ATOM 611 N ASN A 44 -28.025 3.611 0.098 1.00 0.00 N ATOM 612 CA ASN A 44 -28.017 4.654 1.115 1.00 0.00 C ATOM 613 C ASN A 44 -26.833 4.496 2.078 1.00 0.00 C ATOM 614 O ASN A 44 -26.977 4.705 3.282 1.00 0.00 O ATOM 615 CB ASN A 44 -29.363 4.650 1.858 1.00 0.00 C ATOM 616 CG ASN A 44 -29.666 6.045 2.382 1.00 0.00 C ATOM 617 OD1 ASN A 44 -29.468 6.358 3.550 1.00 0.00 O ATOM 618 ND2 ASN A 44 -30.117 6.929 1.509 1.00 0.00 N ATOM 0 H ASN A 44 -27.580 2.744 0.398 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.888 5.621 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.158 4.323 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.331 3.940 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -30.305 7.887 1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -30.277 6.653 0.540 1.00 0.00 H new ATOM 625 N SER A 45 -25.676 4.039 1.593 1.00 0.00 N ATOM 626 CA SER A 45 -24.458 3.976 2.399 1.00 0.00 C ATOM 627 C SER A 45 -23.216 4.203 1.538 1.00 0.00 C ATOM 628 O SER A 45 -23.272 4.121 0.303 1.00 0.00 O ATOM 629 CB SER A 45 -24.379 2.622 3.130 1.00 0.00 C ATOM 630 OG SER A 45 -23.421 2.630 4.173 1.00 0.00 O ATOM 0 H SER A 45 -25.559 3.705 0.637 1.00 0.00 H new ATOM 0 HA SER A 45 -24.494 4.773 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 45 -25.358 2.376 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.127 1.839 2.414 1.00 0.00 H new ATOM 0 HG SER A 45 -23.406 1.753 4.610 1.00 0.00 H new ATOM 636 N THR A 46 -22.081 4.366 2.221 1.00 0.00 N ATOM 637 CA THR A 46 -20.748 4.277 1.658 1.00 0.00 C ATOM 638 C THR A 46 -19.973 3.186 2.381 1.00 0.00 C ATOM 639 O THR A 46 -19.439 3.443 3.455 1.00 0.00 O ATOM 640 CB THR A 46 -19.999 5.628 1.678 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.002 6.244 2.957 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.593 6.597 0.661 1.00 0.00 C ATOM 0 H THR A 46 -22.074 4.571 3.220 1.00 0.00 H new ATOM 0 HA THR A 46 -20.838 4.014 0.604 1.00 0.00 H new ATOM 0 HB THR A 46 -18.966 5.398 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.835 5.568 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.048 7.540 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.515 6.169 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.642 6.776 0.898 1.00 0.00 H new ATOM 650 N LYS A 47 -19.916 1.968 1.832 1.00 0.00 N ATOM 651 CA LYS A 47 -19.017 0.945 2.359 1.00 0.00 C ATOM 652 C LYS A 47 -17.607 1.378 1.960 1.00 0.00 C ATOM 653 O LYS A 47 -17.356 1.582 0.764 1.00 0.00 O ATOM 654 CB LYS A 47 -19.408 -0.454 1.843 1.00 0.00 C ATOM 655 CG LYS A 47 -19.270 -1.584 2.881 1.00 0.00 C ATOM 656 CD LYS A 47 -17.848 -2.045 3.228 1.00 0.00 C ATOM 657 CE LYS A 47 -17.171 -2.781 2.060 1.00 0.00 C ATOM 658 NZ LYS A 47 -15.891 -3.403 2.464 1.00 0.00 N ATOM 0 H LYS A 47 -20.476 1.672 1.032 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.078 0.858 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.441 -0.423 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.788 -0.694 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.754 -1.258 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -19.826 -2.448 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.246 -1.180 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.884 -2.702 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.843 -3.550 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.992 -2.080 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.621 -4.126 1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.151 -2.674 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.000 -3.847 3.398 1.00 0.00 H new ATOM 672 N ALA A 48 -16.721 1.588 2.931 1.00 0.00 N ATOM 673 CA ALA A 48 -15.324 1.888 2.643 1.00 0.00 C ATOM 674 C ALA A 48 -14.654 0.663 2.010 1.00 0.00 C ATOM 675 O ALA A 48 -15.158 -0.461 2.099 1.00 0.00 O ATOM 676 CB ALA A 48 -14.589 2.295 3.926 1.00 0.00 C ATOM 0 H ALA A 48 -16.948 1.555 3.925 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.276 2.722 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.547 2.516 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.062 3.181 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.635 1.478 4.646 1.00 0.00 H new ATOM 682 N LEU A 49 -13.479 0.868 1.424 1.00 0.00 N ATOM 683 CA LEU A 49 -12.580 -0.179 0.989 1.00 0.00 C ATOM 684 C LEU A 49 -11.273 -0.006 1.747 1.00 0.00 C ATOM 685 O LEU A 49 -10.736 1.101 1.804 1.00 0.00 O ATOM 686 CB LEU A 49 -12.334 -0.065 -0.520 1.00 0.00 C ATOM 687 CG LEU A 49 -13.442 -0.569 -1.456 1.00 0.00 C ATOM 688 CD1 LEU A 49 -14.038 -1.926 -1.074 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.570 0.441 -1.649 1.00 0.00 C ATOM 0 H LEU A 49 -13.120 1.804 1.235 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.009 -1.161 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.147 0.983 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.420 -0.611 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.917 -0.702 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.812 -2.199 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.254 -2.683 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.474 -1.864 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.321 0.024 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.029 0.663 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.168 1.358 -2.079 1.00 0.00 H new ATOM 701 N SER A 50 -10.775 -1.102 2.306 1.00 0.00 N ATOM 702 CA SER A 50 -9.475 -1.253 2.945 1.00 0.00 C ATOM 703 C SER A 50 -8.337 -1.068 1.919 1.00 0.00 C ATOM 704 O SER A 50 -8.580 -0.988 0.710 1.00 0.00 O ATOM 705 CB SER A 50 -9.450 -2.639 3.643 1.00 0.00 C ATOM 706 OG SER A 50 -10.531 -3.472 3.238 1.00 0.00 O ATOM 0 H SER A 50 -11.308 -1.971 2.326 1.00 0.00 H new ATOM 0 HA SER A 50 -9.315 -0.482 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.507 -3.138 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.488 -2.499 4.723 1.00 0.00 H new ATOM 0 HG SER A 50 -10.472 -4.333 3.702 1.00 0.00 H new ATOM 712 N TRP A 51 -7.084 -0.980 2.380 1.00 0.00 N ATOM 713 CA TRP A 51 -5.887 -1.075 1.542 1.00 0.00 C ATOM 714 C TRP A 51 -4.628 -1.289 2.381 1.00 0.00 C ATOM 715 O TRP A 51 -4.625 -1.061 3.595 1.00 0.00 O ATOM 716 CB TRP A 51 -5.694 0.182 0.674 1.00 0.00 C ATOM 717 CG TRP A 51 -5.420 1.496 1.356 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.202 2.071 1.489 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.372 2.468 1.894 1.00 0.00 C ATOM 720 NE1 TRP A 51 -4.336 3.325 2.057 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.661 3.652 2.249 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.769 2.499 2.064 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -6.306 4.814 2.703 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.420 3.637 2.578 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.699 4.808 2.874 1.00 0.00 C ATOM 0 H TRP A 51 -6.871 -0.838 3.367 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.040 -1.937 0.893 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.869 -0.013 -0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.591 0.305 0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.266 1.619 1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.553 3.931 2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.354 1.632 1.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.735 5.705 2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.486 3.610 2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -8.211 5.691 3.228 1.00 0.00 H new ATOM 736 N ASN A 52 -3.534 -1.635 1.697 1.00 0.00 N ATOM 737 CA ASN A 52 -2.158 -1.607 2.191 1.00 0.00 C ATOM 738 C ASN A 52 -1.202 -1.468 1.002 1.00 0.00 C ATOM 739 O ASN A 52 -1.580 -1.810 -0.122 1.00 0.00 O ATOM 740 CB ASN A 52 -1.850 -2.878 2.999 1.00 0.00 C ATOM 741 CG ASN A 52 -1.638 -2.535 4.463 1.00 0.00 C ATOM 742 OD1 ASN A 52 -0.825 -1.669 4.784 1.00 0.00 O ATOM 743 ND2 ASN A 52 -2.359 -3.175 5.367 1.00 0.00 N ATOM 0 H ASN A 52 -3.589 -1.959 0.732 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.026 -0.753 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.672 -3.588 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.960 -3.364 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.248 -2.955 6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.026 -3.889 5.075 1.00 0.00 H new ATOM 750 N ALA A 53 0.003 -0.924 1.214 1.00 0.00 N ATOM 751 CA ALA A 53 0.987 -0.575 0.174 1.00 0.00 C ATOM 752 C ALA A 53 2.100 -1.625 0.087 1.00 0.00 C ATOM 753 O ALA A 53 2.102 -2.576 0.875 1.00 0.00 O ATOM 754 CB ALA A 53 1.548 0.815 0.478 1.00 0.00 C ATOM 0 H ALA A 53 0.336 -0.705 2.153 1.00 0.00 H new ATOM 0 HA ALA A 53 0.498 -0.560 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.278 1.087 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.736 1.543 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.030 0.807 1.456 1.00 0.00 H new ATOM 760 N SER A 54 3.043 -1.451 -0.847 1.00 0.00 N ATOM 761 CA SER A 54 4.277 -2.234 -0.906 1.00 0.00 C ATOM 762 C SER A 54 5.372 -1.511 -1.698 1.00 0.00 C ATOM 763 O SER A 54 5.151 -1.136 -2.855 1.00 0.00 O ATOM 764 CB SER A 54 3.998 -3.595 -1.541 1.00 0.00 C ATOM 765 OG SER A 54 3.282 -3.460 -2.761 1.00 0.00 O ATOM 0 H SER A 54 2.967 -0.755 -1.589 1.00 0.00 H new ATOM 0 HA SER A 54 4.634 -2.367 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.940 -4.112 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.426 -4.211 -0.848 1.00 0.00 H new ATOM 0 HG SER A 54 3.659 -2.720 -3.282 1.00 0.00 H new ATOM 771 N GLY A 55 6.559 -1.359 -1.114 1.00 0.00 N ATOM 772 CA GLY A 55 7.748 -0.822 -1.756 1.00 0.00 C ATOM 773 C GLY A 55 8.861 -0.616 -0.727 1.00 0.00 C ATOM 774 O GLY A 55 9.132 -1.522 0.065 1.00 0.00 O ATOM 0 H GLY A 55 6.721 -1.618 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.087 -1.503 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.511 0.125 -2.240 1.00 0.00 H new ATOM 778 N ASP A 56 9.531 0.534 -0.782 1.00 0.00 N ATOM 779 CA ASP A 56 10.703 0.897 0.015 1.00 0.00 C ATOM 780 C ASP A 56 10.476 0.725 1.519 1.00 0.00 C ATOM 781 O ASP A 56 9.394 0.983 2.042 1.00 0.00 O ATOM 782 CB ASP A 56 11.112 2.352 -0.263 1.00 0.00 C ATOM 783 CG ASP A 56 12.025 2.579 -1.471 1.00 0.00 C ATOM 784 OD1 ASP A 56 11.546 2.474 -2.620 1.00 0.00 O ATOM 785 OD2 ASP A 56 13.210 2.965 -1.310 1.00 0.00 O ATOM 0 H ASP A 56 9.255 1.280 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 56 11.498 0.214 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.206 2.942 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.613 2.742 0.623 1.00 0.00 H new ATOM 790 N SER A 57 11.551 0.368 2.223 1.00 0.00 N ATOM 791 CA SER A 57 11.612 -0.014 3.632 1.00 0.00 C ATOM 792 C SER A 57 11.379 1.142 4.625 1.00 0.00 C ATOM 793 O SER A 57 11.610 0.982 5.828 1.00 0.00 O ATOM 794 CB SER A 57 12.990 -0.645 3.904 1.00 0.00 C ATOM 795 OG SER A 57 13.569 -1.301 2.785 1.00 0.00 O ATOM 0 H SER A 57 12.473 0.336 1.788 1.00 0.00 H new ATOM 0 HA SER A 57 10.794 -0.715 3.799 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.671 0.134 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.893 -1.362 4.719 1.00 0.00 H new ATOM 0 HG SER A 57 14.440 -1.672 3.038 1.00 0.00 H new ATOM 801 N TRP A 58 11.027 2.327 4.133 1.00 0.00 N ATOM 802 CA TRP A 58 10.885 3.565 4.891 1.00 0.00 C ATOM 803 C TRP A 58 9.584 4.287 4.549 1.00 0.00 C ATOM 804 O TRP A 58 9.408 5.433 4.956 1.00 0.00 O ATOM 805 CB TRP A 58 12.124 4.446 4.665 1.00 0.00 C ATOM 806 CG TRP A 58 12.498 4.721 3.240 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.123 3.849 2.418 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.290 5.933 2.450 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.330 4.439 1.189 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.911 5.749 1.182 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.641 7.169 2.659 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.976 6.765 0.221 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.684 8.194 1.693 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.379 8.006 0.485 1.00 0.00 C ATOM 0 H TRP A 58 10.822 2.455 3.142 1.00 0.00 H new ATOM 0 HA TRP A 58 10.824 3.330 5.954 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.960 5.401 5.165 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.974 3.972 5.155 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.416 2.844 2.683 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.742 3.964 0.386 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.100 7.333 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.483 6.594 -0.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.180 9.130 1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.452 8.810 -0.233 1.00 0.00 H new ATOM 825 N ILE A 59 8.671 3.647 3.816 1.00 0.00 N ATOM 826 CA ILE A 59 7.412 4.233 3.386 1.00 0.00 C ATOM 827 C ILE A 59 6.326 3.323 3.953 1.00 0.00 C ATOM 828 O ILE A 59 6.186 2.172 3.537 1.00 0.00 O ATOM 829 CB ILE A 59 7.395 4.395 1.851 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.455 5.443 1.429 1.00 0.00 C ATOM 831 CG2 ILE A 59 5.972 4.751 1.364 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.695 5.525 -0.083 1.00 0.00 C ATOM 0 H ILE A 59 8.795 2.685 3.501 1.00 0.00 H new ATOM 0 HA ILE A 59 7.250 5.245 3.756 1.00 0.00 H new ATOM 0 HB ILE A 59 7.660 3.452 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.143 6.423 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.398 5.208 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.976 4.862 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.282 3.956 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.654 5.687 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.451 6.282 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.040 4.558 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.765 5.793 -0.585 1.00 0.00 H new ATOM 844 N HIS A 60 5.607 3.818 4.953 1.00 0.00 N ATOM 845 CA HIS A 60 4.601 3.116 5.730 1.00 0.00 C ATOM 846 C HIS A 60 3.226 3.621 5.299 1.00 0.00 C ATOM 847 O HIS A 60 3.054 4.812 5.029 1.00 0.00 O ATOM 848 CB HIS A 60 4.832 3.401 7.224 1.00 0.00 C ATOM 849 CG HIS A 60 6.138 2.859 7.760 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.270 1.793 8.620 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.400 3.306 7.462 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.580 1.586 8.817 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.315 2.460 8.102 1.00 0.00 N ATOM 0 H HIS A 60 5.721 4.784 5.260 1.00 0.00 H new ATOM 0 HA HIS A 60 4.663 2.040 5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.804 4.479 7.386 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.010 2.971 7.796 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.645 4.158 6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.990 0.822 9.461 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.332 2.498 8.039 1.00 0.00 H new ATOM 861 N VAL A 61 2.235 2.731 5.276 1.00 0.00 N ATOM 862 CA VAL A 61 0.834 3.052 5.039 1.00 0.00 C ATOM 863 C VAL A 61 0.041 2.152 5.976 1.00 0.00 C ATOM 864 O VAL A 61 0.289 0.948 6.041 1.00 0.00 O ATOM 865 CB VAL A 61 0.442 2.832 3.559 1.00 0.00 C ATOM 866 CG1 VAL A 61 -1.001 3.291 3.288 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.368 3.588 2.596 1.00 0.00 C ATOM 0 H VAL A 61 2.394 1.735 5.427 1.00 0.00 H new ATOM 0 HA VAL A 61 0.627 4.104 5.236 1.00 0.00 H new ATOM 0 HB VAL A 61 0.535 1.760 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.245 3.123 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.687 2.723 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.094 4.353 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.054 3.403 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.316 4.657 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.393 3.242 2.730 1.00 0.00 H new ATOM 877 N ASN A 62 -0.895 2.716 6.728 1.00 0.00 N ATOM 878 CA ASN A 62 -1.778 2.034 7.652 1.00 0.00 C ATOM 879 C ASN A 62 -3.178 2.514 7.292 1.00 0.00 C ATOM 880 O ASN A 62 -3.778 3.330 7.989 1.00 0.00 O ATOM 881 CB ASN A 62 -1.352 2.361 9.092 1.00 0.00 C ATOM 882 CG ASN A 62 -0.343 1.389 9.704 1.00 0.00 C ATOM 883 OD1 ASN A 62 -0.278 1.246 10.924 1.00 0.00 O ATOM 884 ND2 ASN A 62 0.462 0.713 8.898 1.00 0.00 N ATOM 0 H ASN A 62 -1.064 3.722 6.704 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.743 0.947 7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.925 3.364 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.241 2.382 9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.146 0.064 9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.398 0.841 7.888 1.00 0.00 H new ATOM 891 N GLY A 63 -3.650 2.064 6.126 1.00 0.00 N ATOM 892 CA GLY A 63 -4.861 2.560 5.498 1.00 0.00 C ATOM 893 C GLY A 63 -4.845 4.083 5.446 1.00 0.00 C ATOM 894 O GLY A 63 -3.947 4.667 4.835 1.00 0.00 O ATOM 0 H GLY A 63 -3.187 1.331 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.947 2.156 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.734 2.218 6.054 1.00 0.00 H new ATOM 898 N SER A 64 -5.805 4.724 6.110 1.00 0.00 N ATOM 899 CA SER A 64 -5.933 6.171 6.233 1.00 0.00 C ATOM 900 C SER A 64 -4.872 6.827 7.143 1.00 0.00 C ATOM 901 O SER A 64 -5.154 7.824 7.803 1.00 0.00 O ATOM 902 CB SER A 64 -7.376 6.484 6.652 1.00 0.00 C ATOM 903 OG SER A 64 -7.860 5.624 7.674 1.00 0.00 O ATOM 0 H SER A 64 -6.548 4.224 6.599 1.00 0.00 H new ATOM 0 HA SER A 64 -5.727 6.624 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.431 7.516 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.026 6.404 5.781 1.00 0.00 H new ATOM 0 HG SER A 64 -8.781 5.871 7.901 1.00 0.00 H new ATOM 909 N SER A 65 -3.638 6.329 7.166 1.00 0.00 N ATOM 910 CA SER A 65 -2.486 6.939 7.815 1.00 0.00 C ATOM 911 C SER A 65 -1.266 6.558 6.977 1.00 0.00 C ATOM 912 O SER A 65 -1.258 5.494 6.349 1.00 0.00 O ATOM 913 CB SER A 65 -2.415 6.422 9.255 1.00 0.00 C ATOM 914 OG SER A 65 -1.316 6.956 9.971 1.00 0.00 O ATOM 0 H SER A 65 -3.406 5.447 6.710 1.00 0.00 H new ATOM 0 HA SER A 65 -2.544 8.026 7.873 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.340 6.675 9.774 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.343 5.334 9.244 1.00 0.00 H new ATOM 0 HG SER A 65 -1.315 6.598 10.883 1.00 0.00 H new ATOM 920 N VAL A 66 -0.256 7.421 6.919 1.00 0.00 N ATOM 921 CA VAL A 66 0.887 7.275 6.027 1.00 0.00 C ATOM 922 C VAL A 66 2.118 7.910 6.703 1.00 0.00 C ATOM 923 O VAL A 66 1.970 8.729 7.613 1.00 0.00 O ATOM 924 CB VAL A 66 0.466 7.851 4.648 1.00 0.00 C ATOM 925 CG1 VAL A 66 -0.032 9.303 4.695 1.00 0.00 C ATOM 926 CG2 VAL A 66 1.537 7.739 3.569 1.00 0.00 C ATOM 0 H VAL A 66 -0.209 8.257 7.502 1.00 0.00 H new ATOM 0 HA VAL A 66 1.187 6.244 5.837 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.370 7.206 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.305 9.627 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.903 9.368 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.759 9.946 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.162 8.164 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.428 8.283 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.788 6.690 3.413 1.00 0.00 H new ATOM 936 N SER A 67 3.332 7.483 6.340 1.00 0.00 N ATOM 937 CA SER A 67 4.592 8.033 6.835 1.00 0.00 C ATOM 938 C SER A 67 5.688 7.716 5.820 1.00 0.00 C ATOM 939 O SER A 67 5.754 6.576 5.358 1.00 0.00 O ATOM 940 CB SER A 67 4.950 7.370 8.176 1.00 0.00 C ATOM 941 OG SER A 67 5.414 8.288 9.142 1.00 0.00 O ATOM 0 H SER A 67 3.466 6.722 5.674 1.00 0.00 H new ATOM 0 HA SER A 67 4.498 9.110 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.072 6.855 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.715 6.612 8.007 1.00 0.00 H new ATOM 0 HG SER A 67 5.624 7.811 9.972 1.00 0.00 H new ATOM 947 N TYR A 68 6.584 8.660 5.541 1.00 0.00 N ATOM 948 CA TYR A 68 7.838 8.433 4.828 1.00 0.00 C ATOM 949 C TYR A 68 8.928 8.903 5.774 1.00 0.00 C ATOM 950 O TYR A 68 8.834 9.996 6.334 1.00 0.00 O ATOM 951 CB TYR A 68 7.898 9.159 3.471 1.00 0.00 C ATOM 952 CG TYR A 68 6.583 9.224 2.722 1.00 0.00 C ATOM 953 CD1 TYR A 68 5.781 8.081 2.608 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.117 10.443 2.213 1.00 0.00 C ATOM 955 CE1 TYR A 68 4.468 8.173 2.128 1.00 0.00 C ATOM 956 CE2 TYR A 68 4.813 10.550 1.716 1.00 0.00 C ATOM 957 CZ TYR A 68 3.963 9.432 1.737 1.00 0.00 C ATOM 958 OH TYR A 68 2.672 9.577 1.346 1.00 0.00 O ATOM 0 H TYR A 68 6.453 9.634 5.814 1.00 0.00 H new ATOM 0 HA TYR A 68 7.952 7.380 4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.256 10.175 3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.634 8.659 2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.179 7.118 2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.768 11.305 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.849 7.291 2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.461 11.490 1.317 1.00 0.00 H new ATOM 0 HH TYR A 68 2.504 10.514 1.114 1.00 0.00 H new ATOM 968 N ASP A 69 9.908 8.052 6.048 1.00 0.00 N ATOM 969 CA ASP A 69 10.894 8.276 7.101 1.00 0.00 C ATOM 970 C ASP A 69 12.196 8.782 6.501 1.00 0.00 C ATOM 971 O ASP A 69 12.560 8.406 5.382 1.00 0.00 O ATOM 972 CB ASP A 69 11.115 6.976 7.888 1.00 0.00 C ATOM 973 CG ASP A 69 10.820 7.182 9.367 1.00 0.00 C ATOM 974 OD1 ASP A 69 9.700 7.636 9.706 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.679 6.833 10.205 1.00 0.00 O ATOM 0 H ASP A 69 10.043 7.177 5.541 1.00 0.00 H new ATOM 0 HA ASP A 69 10.524 9.036 7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.472 6.191 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.144 6.639 7.761 1.00 0.00 H new ATOM 980 N GLU A 70 12.922 9.619 7.234 1.00 0.00 N ATOM 981 CA GLU A 70 14.244 10.033 6.797 1.00 0.00 C ATOM 982 C GLU A 70 15.238 8.891 6.958 1.00 0.00 C ATOM 983 O GLU A 70 15.042 7.940 7.719 1.00 0.00 O ATOM 984 CB GLU A 70 14.677 11.305 7.521 1.00 0.00 C ATOM 985 CG GLU A 70 14.118 12.512 6.751 1.00 0.00 C ATOM 986 CD GLU A 70 13.957 13.779 7.587 1.00 0.00 C ATOM 987 OE1 GLU A 70 14.157 13.721 8.827 1.00 0.00 O ATOM 988 OE2 GLU A 70 13.581 14.805 6.995 1.00 0.00 O ATOM 0 H GLU A 70 12.620 10.018 8.123 1.00 0.00 H new ATOM 0 HA GLU A 70 14.212 10.276 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.306 11.304 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.764 11.360 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.778 12.728 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.148 12.242 6.333 1.00 0.00 H new ATOM 995 N ASN A 71 16.317 9.003 6.193 1.00 0.00 N ATOM 996 CA ASN A 71 17.387 8.033 6.056 1.00 0.00 C ATOM 997 C ASN A 71 18.609 8.510 6.846 1.00 0.00 C ATOM 998 O ASN A 71 18.871 9.712 6.911 1.00 0.00 O ATOM 999 CB ASN A 71 17.725 7.782 4.568 1.00 0.00 C ATOM 1000 CG ASN A 71 17.942 9.057 3.746 1.00 0.00 C ATOM 1001 OD1 ASN A 71 17.119 9.966 3.776 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.985 9.129 2.940 1.00 0.00 N ATOM 0 H ASN A 71 16.474 9.829 5.616 1.00 0.00 H new ATOM 0 HA ASN A 71 17.061 7.078 6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.625 7.169 4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.917 7.206 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.109 9.943 2.338 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.667 8.370 2.919 1.00 0.00 H new ATOM 1009 N PRO A 72 19.386 7.568 7.406 1.00 0.00 N ATOM 1010 CA PRO A 72 20.374 7.823 8.453 1.00 0.00 C ATOM 1011 C PRO A 72 21.730 8.279 7.906 1.00 0.00 C ATOM 1012 O PRO A 72 22.677 8.473 8.666 1.00 0.00 O ATOM 1013 CB PRO A 72 20.508 6.486 9.185 1.00 0.00 C ATOM 1014 CG PRO A 72 20.390 5.505 8.022 1.00 0.00 C ATOM 1015 CD PRO A 72 19.268 6.127 7.203 1.00 0.00 C ATOM 0 HA PRO A 72 20.051 8.639 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.461 6.395 9.706 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.723 6.342 9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.318 5.430 7.454 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.141 4.499 8.359 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.364 5.871 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.295 5.763 7.532 1.00 0.00 H new ATOM 1023 N ALA A 73 21.900 8.312 6.587 1.00 0.00 N ATOM 1024 CA ALA A 73 23.027 8.979 5.954 1.00 0.00 C ATOM 1025 C ALA A 73 22.510 10.261 5.320 1.00 0.00 C ATOM 1026 O ALA A 73 21.366 10.307 4.879 1.00 0.00 O ATOM 1027 CB ALA A 73 23.671 8.059 4.910 1.00 0.00 C ATOM 0 H ALA A 73 21.256 7.875 5.928 1.00 0.00 H new ATOM 0 HA ALA A 73 23.797 9.218 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.513 8.571 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.023 7.149 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.935 7.803 4.148 1.00 0.00 H new ATOM 1033 N LYS A 74 23.380 11.260 5.171 1.00 0.00 N ATOM 1034 CA LYS A 74 23.061 12.540 4.544 1.00 0.00 C ATOM 1035 C LYS A 74 23.033 12.445 3.017 1.00 0.00 C ATOM 1036 O LYS A 74 22.907 13.464 2.346 1.00 0.00 O ATOM 1037 CB LYS A 74 24.020 13.633 5.040 1.00 0.00 C ATOM 1038 CG LYS A 74 25.491 13.352 4.700 1.00 0.00 C ATOM 1039 CD LYS A 74 26.079 14.386 3.730 1.00 0.00 C ATOM 1040 CE LYS A 74 27.437 13.967 3.149 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.426 13.608 4.192 1.00 0.00 N ATOM 0 H LYS A 74 24.347 11.199 5.490 1.00 0.00 H new ATOM 0 HA LYS A 74 22.051 12.818 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.729 14.588 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.917 13.734 6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.078 13.346 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 74 25.575 12.358 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 74 25.376 14.549 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.191 15.338 4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 74 27.294 13.116 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.834 14.782 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.354 13.449 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.499 14.382 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.120 12.740 4.677 1.00 0.00 H new ATOM 1055 N GLU A 75 23.191 11.256 2.440 1.00 0.00 N ATOM 1056 CA GLU A 75 22.994 11.085 1.011 1.00 0.00 C ATOM 1057 C GLU A 75 21.509 11.206 0.684 1.00 0.00 C ATOM 1058 O GLU A 75 20.667 10.867 1.510 1.00 0.00 O ATOM 1059 CB GLU A 75 23.460 9.704 0.559 1.00 0.00 C ATOM 1060 CG GLU A 75 24.979 9.573 0.468 1.00 0.00 C ATOM 1061 CD GLU A 75 25.394 8.309 -0.297 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.630 7.318 -0.342 1.00 0.00 O ATOM 1063 OE2 GLU A 75 26.455 8.328 -0.963 1.00 0.00 O ATOM 0 H GLU A 75 23.453 10.406 2.939 1.00 0.00 H new ATOM 0 HA GLU A 75 23.572 11.853 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.080 8.955 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.025 9.484 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.391 10.451 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.403 9.547 1.472 1.00 0.00 H new ATOM 1070 N ARG A 76 21.176 11.594 -0.546 1.00 0.00 N ATOM 1071 CA ARG A 76 19.804 11.493 -1.037 1.00 0.00 C ATOM 1072 C ARG A 76 19.505 10.046 -1.408 1.00 0.00 C ATOM 1073 O ARG A 76 20.376 9.358 -1.955 1.00 0.00 O ATOM 1074 CB ARG A 76 19.626 12.406 -2.274 1.00 0.00 C ATOM 1075 CG ARG A 76 18.148 12.646 -2.631 1.00 0.00 C ATOM 1076 CD ARG A 76 17.825 13.243 -4.008 1.00 0.00 C ATOM 1077 NE ARG A 76 17.732 14.710 -3.946 1.00 0.00 N ATOM 1078 CZ ARG A 76 18.783 15.517 -3.807 1.00 0.00 C ATOM 1079 NH1 ARG A 76 20.000 15.100 -4.132 1.00 0.00 N ATOM 1080 NH2 ARG A 76 18.618 16.753 -3.372 1.00 0.00 N ATOM 0 H ARG A 76 21.837 11.981 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 76 19.112 11.813 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.110 13.364 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 76 20.133 11.956 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.626 11.692 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.725 13.306 -1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 76 18.597 12.955 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.884 12.832 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 76 16.807 15.135 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 76 20.136 14.155 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.799 15.724 -4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.684 17.092 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.425 17.368 -3.267 1.00 0.00 H new ATOM 1094 N ARG A 77 18.254 9.624 -1.258 1.00 0.00 N ATOM 1095 CA ARG A 77 17.674 8.518 -2.000 1.00 0.00 C ATOM 1096 C ARG A 77 16.338 9.009 -2.546 1.00 0.00 C ATOM 1097 O ARG A 77 15.662 9.813 -1.904 1.00 0.00 O ATOM 1098 CB ARG A 77 17.535 7.288 -1.083 1.00 0.00 C ATOM 1099 CG ARG A 77 16.470 7.476 0.014 1.00 0.00 C ATOM 1100 CD ARG A 77 16.543 6.449 1.143 1.00 0.00 C ATOM 1101 NE ARG A 77 16.397 5.052 0.690 1.00 0.00 N ATOM 1102 CZ ARG A 77 16.485 3.991 1.502 1.00 0.00 C ATOM 1103 NH1 ARG A 77 16.710 4.178 2.799 1.00 0.00 N ATOM 1104 NH2 ARG A 77 16.361 2.768 1.006 1.00 0.00 N ATOM 0 H ARG A 77 17.603 10.054 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 77 18.304 8.201 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.278 6.418 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.497 7.078 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.575 8.474 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.482 7.427 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.498 6.556 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.762 6.668 1.871 1.00 0.00 H new ATOM 0 HE ARG A 77 16.218 4.885 -0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.814 5.123 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.779 3.376 3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.199 2.637 0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.428 1.958 1.623 1.00 0.00 H new ATOM 1118 N THR A 78 15.950 8.528 -3.716 1.00 0.00 N ATOM 1119 CA THR A 78 14.555 8.508 -4.111 1.00 0.00 C ATOM 1120 C THR A 78 13.927 7.252 -3.485 1.00 0.00 C ATOM 1121 O THR A 78 14.611 6.233 -3.338 1.00 0.00 O ATOM 1122 CB THR A 78 14.498 8.534 -5.646 1.00 0.00 C ATOM 1123 OG1 THR A 78 15.121 9.718 -6.124 1.00 0.00 O ATOM 1124 CG2 THR A 78 13.071 8.506 -6.201 1.00 0.00 C ATOM 0 H THR A 78 16.589 8.144 -4.412 1.00 0.00 H new ATOM 0 HA THR A 78 13.988 9.371 -3.760 1.00 0.00 H new ATOM 0 HB THR A 78 15.012 7.634 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.086 9.734 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.104 8.526 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.570 7.596 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.522 9.375 -5.838 1.00 0.00 H new ATOM 1132 N GLY A 79 12.640 7.308 -3.138 1.00 0.00 N ATOM 1133 CA GLY A 79 11.825 6.160 -2.742 1.00 0.00 C ATOM 1134 C GLY A 79 10.662 6.001 -3.702 1.00 0.00 C ATOM 1135 O GLY A 79 10.282 6.984 -4.347 1.00 0.00 O ATOM 0 H GLY A 79 12.119 8.185 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.432 5.255 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.454 6.299 -1.726 1.00 0.00 H new ATOM 1139 N LEU A 80 10.096 4.795 -3.794 1.00 0.00 N ATOM 1140 CA LEU A 80 8.951 4.504 -4.648 1.00 0.00 C ATOM 1141 C LEU A 80 8.171 3.330 -4.054 1.00 0.00 C ATOM 1142 O LEU A 80 8.772 2.279 -3.815 1.00 0.00 O ATOM 1143 CB LEU A 80 9.460 4.177 -6.064 1.00 0.00 C ATOM 1144 CG LEU A 80 8.360 4.179 -7.139 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.837 5.598 -7.409 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.949 3.616 -8.438 1.00 0.00 C ATOM 0 H LEU A 80 10.427 3.986 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 80 8.283 5.364 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.225 4.902 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.939 3.198 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 80 7.528 3.570 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.061 5.560 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.422 6.014 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.657 6.228 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.182 3.610 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.784 4.239 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.300 2.598 -8.267 1.00 0.00 H new ATOM 1158 N VAL A 81 6.858 3.459 -3.827 1.00 0.00 N ATOM 1159 CA VAL A 81 6.017 2.305 -3.520 1.00 0.00 C ATOM 1160 C VAL A 81 4.816 2.289 -4.451 1.00 0.00 C ATOM 1161 O VAL A 81 4.391 3.335 -4.946 1.00 0.00 O ATOM 1162 CB VAL A 81 5.579 2.252 -2.038 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.727 2.570 -1.084 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.318 3.028 -1.639 1.00 0.00 C ATOM 0 H VAL A 81 6.360 4.349 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 81 6.616 1.409 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 81 5.282 1.208 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.370 2.520 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.529 1.845 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.104 3.572 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.134 2.899 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.458 4.087 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.465 2.650 -2.203 1.00 0.00 H new ATOM 1174 N THR A 82 4.232 1.105 -4.598 1.00 0.00 N ATOM 1175 CA THR A 82 2.978 0.882 -5.286 1.00 0.00 C ATOM 1176 C THR A 82 1.896 0.745 -4.217 1.00 0.00 C ATOM 1177 O THR A 82 2.162 0.378 -3.064 1.00 0.00 O ATOM 1178 CB THR A 82 3.081 -0.388 -6.147 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.341 -0.436 -6.798 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.943 -0.505 -7.175 1.00 0.00 C ATOM 0 H THR A 82 4.638 0.247 -4.226 1.00 0.00 H new ATOM 0 HA THR A 82 2.734 1.708 -5.954 1.00 0.00 H new ATOM 0 HB THR A 82 2.985 -1.239 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.397 -1.249 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.068 -1.420 -7.754 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.985 -0.532 -6.656 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.968 0.354 -7.845 1.00 0.00 H new ATOM 1188 N LEU A 83 0.664 1.037 -4.615 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.539 0.919 -3.823 1.00 0.00 C ATOM 1190 C LEU A 83 -1.614 0.202 -4.643 1.00 0.00 C ATOM 1191 O LEU A 83 -1.472 0.057 -5.859 1.00 0.00 O ATOM 1192 CB LEU A 83 -0.980 2.324 -3.387 1.00 0.00 C ATOM 1193 CG LEU A 83 -0.035 2.961 -2.350 1.00 0.00 C ATOM 1194 CD1 LEU A 83 1.016 3.920 -2.920 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.822 3.710 -1.275 1.00 0.00 C ATOM 0 H LEU A 83 0.474 1.382 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.363 0.326 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.035 2.969 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.985 2.269 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 83 0.502 2.108 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.629 4.313 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.650 3.386 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.518 4.744 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.130 4.149 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.412 4.500 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.486 3.016 -0.760 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.704 -0.209 -3.991 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.901 -0.797 -4.591 1.00 0.00 C ATOM 1209 C LYS A 84 -5.082 -0.448 -3.679 1.00 0.00 C ATOM 1210 O LYS A 84 -5.004 0.504 -2.900 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.723 -2.318 -4.784 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.634 -2.863 -5.907 1.00 0.00 C ATOM 1213 CD LYS A 84 -3.863 -3.092 -7.212 1.00 0.00 C ATOM 1214 CE LYS A 84 -4.753 -3.613 -8.349 1.00 0.00 C ATOM 1215 NZ LYS A 84 -5.220 -4.994 -8.118 1.00 0.00 N ATOM 0 H LYS A 84 -2.778 -0.136 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.086 -0.395 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.682 -2.535 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.950 -2.832 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.086 -3.801 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.449 -2.161 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.397 -2.156 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.058 -3.805 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.615 -2.956 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.199 -3.573 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.816 -5.297 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.400 -5.629 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.773 -5.031 -7.238 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.185 -1.182 -3.778 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.310 -1.114 -2.859 1.00 0.00 C ATOM 1231 C GLN A 85 -7.718 -2.544 -2.502 1.00 0.00 C ATOM 1232 O GLN A 85 -7.272 -3.490 -3.149 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.455 -0.378 -3.568 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.477 0.318 -2.662 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.365 1.823 -2.838 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.357 2.403 -2.463 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.342 2.478 -3.448 1.00 0.00 N ATOM 0 H GLN A 85 -6.323 -1.862 -4.525 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.055 -0.580 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.022 0.369 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.985 -1.094 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.485 -0.014 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.300 0.048 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.177 1.979 -3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.259 3.482 -3.611 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.622 -2.685 -1.532 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.293 -3.932 -1.169 1.00 0.00 C ATOM 1248 C ASP A 86 -9.900 -4.583 -2.407 1.00 0.00 C ATOM 1249 O ASP A 86 -9.461 -5.649 -2.827 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.376 -3.637 -0.125 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.143 -4.878 0.324 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.480 -5.888 0.624 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.396 -4.791 0.395 1.00 0.00 O ATOM 0 H ASP A 86 -8.919 -1.899 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.568 -4.626 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.913 -3.171 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.080 -2.914 -0.537 1.00 0.00 H new ATOM 1258 N GLU A 87 -10.861 -3.897 -3.028 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.617 -4.380 -4.185 1.00 0.00 C ATOM 1260 C GLU A 87 -11.211 -3.664 -5.474 1.00 0.00 C ATOM 1261 O GLU A 87 -11.379 -4.205 -6.566 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.106 -4.134 -3.922 1.00 0.00 C ATOM 1263 CG GLU A 87 -13.664 -5.063 -2.842 1.00 0.00 C ATOM 1264 CD GLU A 87 -13.952 -6.453 -3.400 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -13.051 -7.318 -3.475 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -15.098 -6.709 -3.827 1.00 0.00 O ATOM 0 H GLU A 87 -11.143 -2.963 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.406 -5.441 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.253 -3.097 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.665 -4.278 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.951 -5.139 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.579 -4.637 -2.431 1.00 0.00 H new ATOM 1273 N SER A 88 -10.727 -2.428 -5.364 1.00 0.00 N ATOM 1274 CA SER A 88 -10.400 -1.559 -6.485 1.00 0.00 C ATOM 1275 C SER A 88 -8.891 -1.560 -6.783 1.00 0.00 C ATOM 1276 O SER A 88 -8.122 -2.372 -6.274 1.00 0.00 O ATOM 1277 CB SER A 88 -10.999 -0.171 -6.216 1.00 0.00 C ATOM 1278 OG SER A 88 -11.060 0.617 -7.387 1.00 0.00 O ATOM 0 H SER A 88 -10.547 -1.992 -4.459 1.00 0.00 H new ATOM 0 HA SER A 88 -10.848 -1.934 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.001 -0.283 -5.802 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.399 0.343 -5.465 1.00 0.00 H new ATOM 0 HG SER A 88 -11.448 1.491 -7.173 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.458 -0.631 -7.626 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.136 -0.541 -8.203 1.00 0.00 C ATOM 1286 C GLY A 89 -6.722 0.914 -8.308 1.00 0.00 C ATOM 1287 O GLY A 89 -6.279 1.353 -9.364 1.00 0.00 O ATOM 0 H GLY A 89 -9.066 0.125 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.422 -1.089 -7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.127 -1.004 -9.190 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.846 1.662 -7.204 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.073 2.885 -7.033 1.00 0.00 C ATOM 1293 C LYS A 90 -4.611 2.474 -7.046 1.00 0.00 C ATOM 1294 O LYS A 90 -4.122 2.032 -6.005 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.366 3.577 -5.694 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.639 4.401 -5.644 1.00 0.00 C ATOM 1297 CD LYS A 90 -7.527 5.620 -4.717 1.00 0.00 C ATOM 1298 CE LYS A 90 -7.280 5.278 -3.257 1.00 0.00 C ATOM 1299 NZ LYS A 90 -5.848 5.142 -2.930 1.00 0.00 N ATOM 0 H LYS A 90 -7.469 1.440 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.330 3.587 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.417 2.815 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.525 4.226 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.887 4.738 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.461 3.770 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.716 6.257 -5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.445 6.203 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.718 6.054 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.792 4.346 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.733 5.061 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.466 4.290 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.333 5.979 -3.270 1.00 0.00 H new ATOM 1313 N THR A 91 -3.919 2.576 -8.169 1.00 0.00 N ATOM 1314 CA THR A 91 -2.498 2.295 -8.185 1.00 0.00 C ATOM 1315 C THR A 91 -1.817 3.647 -8.063 1.00 0.00 C ATOM 1316 O THR A 91 -1.846 4.475 -8.971 1.00 0.00 O ATOM 1317 CB THR A 91 -2.093 1.425 -9.376 1.00 0.00 C ATOM 1318 OG1 THR A 91 -2.496 1.995 -10.610 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.749 0.044 -9.234 1.00 0.00 C ATOM 0 H THR A 91 -4.314 2.848 -9.069 1.00 0.00 H new ATOM 0 HA THR A 91 -2.174 1.671 -7.352 1.00 0.00 H new ATOM 0 HB THR A 91 -1.006 1.345 -9.377 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.398 2.969 -10.568 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.465 -0.582 -10.080 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.415 -0.424 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.833 0.156 -9.214 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.298 3.926 -6.877 1.00 0.00 N ATOM 1328 CA LEU A 92 -0.621 5.174 -6.557 1.00 0.00 C ATOM 1329 C LEU A 92 0.855 4.819 -6.434 1.00 0.00 C ATOM 1330 O LEU A 92 1.207 3.668 -6.166 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.199 5.824 -5.284 1.00 0.00 C ATOM 1332 CG LEU A 92 -2.440 6.727 -5.469 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.520 6.151 -6.390 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.057 6.964 -4.085 1.00 0.00 C ATOM 0 H LEU A 92 -1.337 3.276 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.766 5.928 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.457 5.030 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.413 6.417 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.094 7.643 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.351 6.853 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.101 5.985 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.877 5.205 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.937 7.600 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.346 6.009 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.327 7.452 -3.440 1.00 0.00 H new ATOM 1346 N SER A 93 1.700 5.816 -6.644 1.00 0.00 N ATOM 1347 CA SER A 93 3.089 5.674 -7.046 1.00 0.00 C ATOM 1348 C SER A 93 3.902 6.637 -6.192 1.00 0.00 C ATOM 1349 O SER A 93 4.392 7.669 -6.663 1.00 0.00 O ATOM 1350 CB SER A 93 3.178 6.050 -8.525 1.00 0.00 C ATOM 1351 OG SER A 93 2.198 5.382 -9.320 1.00 0.00 O ATOM 0 H SER A 93 1.422 6.791 -6.533 1.00 0.00 H new ATOM 0 HA SER A 93 3.467 4.660 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.053 7.128 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.172 5.806 -8.899 1.00 0.00 H new ATOM 0 HG SER A 93 2.294 5.656 -10.256 1.00 0.00 H new ATOM 1357 N LEU A 94 3.910 6.373 -4.894 1.00 0.00 N ATOM 1358 CA LEU A 94 4.351 7.333 -3.892 1.00 0.00 C ATOM 1359 C LEU A 94 5.854 7.534 -4.051 1.00 0.00 C ATOM 1360 O LEU A 94 6.621 6.625 -3.741 1.00 0.00 O ATOM 1361 CB LEU A 94 3.986 6.872 -2.468 1.00 0.00 C ATOM 1362 CG LEU A 94 3.682 8.029 -1.495 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.689 9.182 -1.569 1.00 0.00 C ATOM 1364 CD2 LEU A 94 2.251 8.538 -1.709 1.00 0.00 C ATOM 0 H LEU A 94 3.609 5.480 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 94 3.839 8.283 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.117 6.217 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.808 6.279 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 94 3.779 7.619 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.408 9.957 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.685 8.811 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.691 9.599 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.048 9.355 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.141 8.895 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.546 7.727 -1.530 1.00 0.00 H new ATOM 1376 N LYS A 95 6.269 8.690 -4.573 1.00 0.00 N ATOM 1377 CA LYS A 95 7.656 9.018 -4.870 1.00 0.00 C ATOM 1378 C LYS A 95 8.067 10.117 -3.912 1.00 0.00 C ATOM 1379 O LYS A 95 7.332 11.091 -3.752 1.00 0.00 O ATOM 1380 CB LYS A 95 7.755 9.444 -6.341 1.00 0.00 C ATOM 1381 CG LYS A 95 9.164 9.814 -6.833 1.00 0.00 C ATOM 1382 CD LYS A 95 9.096 10.218 -8.316 1.00 0.00 C ATOM 1383 CE LYS A 95 10.437 10.761 -8.826 1.00 0.00 C ATOM 1384 NZ LYS A 95 10.370 11.182 -10.244 1.00 0.00 N ATOM 0 H LYS A 95 5.624 9.445 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 95 8.328 8.170 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.374 8.633 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.099 10.300 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.565 10.635 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.840 8.968 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.804 9.355 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.324 10.975 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.741 11.609 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.204 9.994 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.299 11.541 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.106 10.368 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.658 11.932 -10.350 1.00 0.00 H new ATOM 1398 N ILE A 96 9.225 9.994 -3.282 1.00 0.00 N ATOM 1399 CA ILE A 96 9.823 11.042 -2.458 1.00 0.00 C ATOM 1400 C ILE A 96 11.231 11.216 -3.011 1.00 0.00 C ATOM 1401 O ILE A 96 11.872 10.217 -3.348 1.00 0.00 O ATOM 1402 CB ILE A 96 9.833 10.648 -0.961 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.446 10.237 -0.416 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.361 11.818 -0.113 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.294 8.720 -0.308 1.00 0.00 C ATOM 0 H ILE A 96 9.790 9.146 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 96 9.257 11.972 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 96 10.484 9.777 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.296 10.686 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.669 10.633 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.365 11.532 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.376 12.065 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.717 12.687 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.304 8.480 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.417 8.271 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.053 8.325 0.367 1.00 0.00 H new ATOM 1417 N VAL A 97 11.709 12.455 -3.111 1.00 0.00 N ATOM 1418 CA VAL A 97 13.052 12.780 -3.578 1.00 0.00 C ATOM 1419 C VAL A 97 13.627 13.767 -2.555 1.00 0.00 C ATOM 1420 O VAL A 97 13.729 14.963 -2.830 1.00 0.00 O ATOM 1421 CB VAL A 97 12.986 13.319 -5.028 1.00 0.00 C ATOM 1422 CG1 VAL A 97 14.385 13.494 -5.636 1.00 0.00 C ATOM 1423 CG2 VAL A 97 12.172 12.441 -5.995 1.00 0.00 C ATOM 0 H VAL A 97 11.160 13.278 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 97 13.713 11.916 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 97 12.479 14.278 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.295 13.874 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.957 14.200 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.898 12.532 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.177 12.891 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.616 11.447 -6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.145 12.362 -5.638 1.00 0.00 H new ATOM 1433 N GLN A 98 13.959 13.269 -1.361 1.00 0.00 N ATOM 1434 CA GLN A 98 14.366 14.082 -0.218 1.00 0.00 C ATOM 1435 C GLN A 98 15.860 13.867 0.006 1.00 0.00 C ATOM 1436 O GLN A 98 16.307 12.740 -0.204 1.00 0.00 O ATOM 1437 CB GLN A 98 13.546 13.698 1.027 1.00 0.00 C ATOM 1438 CG GLN A 98 13.749 12.255 1.525 1.00 0.00 C ATOM 1439 CD GLN A 98 12.849 11.895 2.707 1.00 0.00 C ATOM 1440 OE1 GLN A 98 11.955 12.633 3.100 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.041 10.723 3.283 1.00 0.00 N ATOM 0 H GLN A 98 13.951 12.269 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 98 14.179 15.138 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.800 14.384 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.489 13.844 0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.555 11.564 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.791 12.121 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.786 10.109 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.444 10.431 4.057 1.00 0.00 H new ATOM 1450 N PRO A 99 16.639 14.873 0.432 1.00 0.00 N ATOM 1451 CA PRO A 99 18.016 14.696 0.872 1.00 0.00 C ATOM 1452 C PRO A 99 18.070 13.806 2.117 1.00 0.00 C ATOM 1453 O PRO A 99 17.037 13.433 2.676 1.00 0.00 O ATOM 1454 CB PRO A 99 18.547 16.109 1.129 1.00 0.00 C ATOM 1455 CG PRO A 99 17.304 16.945 1.411 1.00 0.00 C ATOM 1456 CD PRO A 99 16.161 16.201 0.739 1.00 0.00 C ATOM 0 HA PRO A 99 18.632 14.189 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.235 16.126 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.093 16.490 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.132 17.045 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.408 17.953 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.293 16.155 1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.847 16.716 -0.169 1.00 0.00 H new ATOM 1464 N GLY A 100 19.277 13.446 2.546 1.00 0.00 N ATOM 1465 CA GLY A 100 19.449 12.646 3.747 1.00 0.00 C ATOM 1466 C GLY A 100 19.557 13.530 4.975 1.00 0.00 C ATOM 1467 O GLY A 100 19.750 14.745 4.860 1.00 0.00 O ATOM 0 H GLY A 100 20.147 13.697 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.606 11.964 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.346 12.033 3.655 1.00 0.00 H new ATOM 1471 N LYS A 101 19.504 12.915 6.156 1.00 0.00 N ATOM 1472 CA LYS A 101 19.345 13.627 7.415 1.00 0.00 C ATOM 1473 C LYS A 101 20.469 13.245 8.368 1.00 0.00 C ATOM 1474 O LYS A 101 20.888 12.087 8.427 1.00 0.00 O ATOM 1475 CB LYS A 101 17.936 13.326 7.951 1.00 0.00 C ATOM 1476 CG LYS A 101 17.652 13.922 9.340 1.00 0.00 C ATOM 1477 CD LYS A 101 17.816 12.895 10.476 1.00 0.00 C ATOM 1478 CE LYS A 101 16.588 11.994 10.670 1.00 0.00 C ATOM 1479 NZ LYS A 101 15.375 12.758 11.035 1.00 0.00 N ATOM 0 H LYS A 101 19.571 11.903 6.262 1.00 0.00 H new ATOM 0 HA LYS A 101 19.425 14.707 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.200 13.711 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.799 12.246 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 101 18.326 14.761 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.637 14.319 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.685 12.271 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.019 13.424 11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.400 11.439 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.799 11.261 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.733 12.149 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.644 13.582 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.895 13.080 10.171 1.00 0.00 H new