USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 717 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 5:sc= 0.566! USER MOD Set 2.2: A 48 SER OG : rot -35:sc= 1.22 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -110:sc= -1.4 (180deg=-2.83!) USER MOD Set 3.2: A 25 SER OG : rot -68:sc= 0.945 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -58:sc= 0.0863 USER MOD Single : A 6 SER OG : rot 180:sc= -0.172 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.15) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.48 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 15:sc= -1.06 USER MOD Single : A 16 ASN : amide:sc= -0.823 K(o=-0.82,f=-2.3) USER MOD Single : A 20 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -60:sc= 0.46 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -38:sc= 0.832 USER MOD Single : A 36 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.9!) USER MOD Single : A 37 CYS SG : rot 98:sc= 0.614 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc=-0.00707 (180deg=-0.139) USER MOD Single : A 43 SER OG : rot 16:sc= 0.726 USER MOD Single : A 47 CYS SG : rot 180:sc= -0.0889 USER MOD Single : A 55 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.1!) USER MOD Single : A 56 GLN : amide:sc= -0.0675 K(o=-0.067,f=-1.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.475 K(o=0.48,f=-2.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 143:sc= -9.71! (180deg=-11.1!) USER MOD Single : A 68 ASN : amide:sc= -1.84 K(o=-1.8,f=-1) USER MOD Single : A 74 ASN : amide:sc= -3.87! C(o=-3.9!,f=-8.4!) USER MOD Single : A 83 LYS NZ :NH3+ -106:sc= -1.3! (180deg=-2.65!) USER MOD Single : A 84 ASN : amide:sc= -0.74 K(o=-0.74,f=-3.4!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 46:sc= 0.742 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0931 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.318 5.134 -3.126 1.00 0.00 N ATOM 2 CA GLY A 1 20.838 5.892 -2.003 1.00 0.00 C ATOM 3 C GLY A 1 21.554 7.155 -2.437 1.00 0.00 C ATOM 4 O GLY A 1 22.779 7.175 -2.549 1.00 0.00 O ATOM 0 H1 GLY A 1 19.838 4.280 -2.776 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.641 5.719 -3.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.102 4.858 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.018 6.155 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.525 5.266 -1.433 1.00 0.00 H new ATOM 8 N SER A 2 20.787 8.213 -2.685 1.00 0.00 N ATOM 9 CA SER A 2 21.355 9.485 -3.116 1.00 0.00 C ATOM 10 C SER A 2 20.643 10.654 -2.443 1.00 0.00 C ATOM 11 O SER A 2 19.414 10.717 -2.424 1.00 0.00 O ATOM 12 CB SER A 2 21.260 9.621 -4.637 1.00 0.00 C ATOM 13 OG SER A 2 22.216 10.545 -5.127 1.00 0.00 O ATOM 0 H SER A 2 19.771 8.214 -2.595 1.00 0.00 H new ATOM 0 HA SER A 2 22.404 9.504 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.418 8.648 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.258 9.948 -4.914 1.00 0.00 H new ATOM 0 HG SER A 2 22.136 10.613 -6.101 1.00 0.00 H new ATOM 19 N SER A 3 21.424 11.577 -1.892 1.00 0.00 N ATOM 20 CA SER A 3 20.869 12.743 -1.214 1.00 0.00 C ATOM 21 C SER A 3 21.221 14.025 -1.962 1.00 0.00 C ATOM 22 O SER A 3 22.394 14.343 -2.154 1.00 0.00 O ATOM 23 CB SER A 3 21.388 12.818 0.223 1.00 0.00 C ATOM 24 OG SER A 3 20.672 13.784 0.974 1.00 0.00 O ATOM 0 H SER A 3 22.443 11.540 -1.902 1.00 0.00 H new ATOM 0 HA SER A 3 19.784 12.640 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.295 11.841 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.448 13.070 0.217 1.00 0.00 H new ATOM 0 HG SER A 3 21.021 13.812 1.889 1.00 0.00 H new ATOM 30 N GLY A 4 20.195 14.758 -2.383 1.00 0.00 N ATOM 31 CA GLY A 4 20.415 15.997 -3.106 1.00 0.00 C ATOM 32 C GLY A 4 19.122 16.627 -3.584 1.00 0.00 C ATOM 33 O GLY A 4 18.666 16.359 -4.695 1.00 0.00 O ATOM 0 H GLY A 4 19.215 14.516 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.942 16.701 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.060 15.804 -3.963 1.00 0.00 H new ATOM 37 N SER A 5 18.528 17.467 -2.742 1.00 0.00 N ATOM 38 CA SER A 5 17.277 18.133 -3.082 1.00 0.00 C ATOM 39 C SER A 5 16.349 17.191 -3.843 1.00 0.00 C ATOM 40 O SER A 5 15.740 17.574 -4.842 1.00 0.00 O ATOM 41 CB SER A 5 17.551 19.384 -3.920 1.00 0.00 C ATOM 42 OG SER A 5 16.420 20.237 -3.949 1.00 0.00 O ATOM 0 H SER A 5 18.894 17.702 -1.819 1.00 0.00 H new ATOM 0 HA SER A 5 16.787 18.426 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.405 19.921 -3.508 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.817 19.093 -4.936 1.00 0.00 H new ATOM 0 HG SER A 5 15.652 19.750 -4.315 1.00 0.00 H new ATOM 48 N SER A 6 16.247 15.956 -3.364 1.00 0.00 N ATOM 49 CA SER A 6 15.398 14.956 -4.000 1.00 0.00 C ATOM 50 C SER A 6 13.949 15.430 -4.054 1.00 0.00 C ATOM 51 O SER A 6 13.306 15.379 -5.101 1.00 0.00 O ATOM 52 CB SER A 6 15.484 13.628 -3.246 1.00 0.00 C ATOM 53 OG SER A 6 14.991 13.759 -1.924 1.00 0.00 O ATOM 0 H SER A 6 16.742 15.623 -2.537 1.00 0.00 H new ATOM 0 HA SER A 6 15.753 14.809 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.912 12.867 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.519 13.288 -3.219 1.00 0.00 H new ATOM 0 HG SER A 6 15.055 12.896 -1.464 1.00 0.00 H new ATOM 59 N GLY A 7 13.440 15.890 -2.915 1.00 0.00 N ATOM 60 CA GLY A 7 12.071 16.366 -2.853 1.00 0.00 C ATOM 61 C GLY A 7 11.369 15.949 -1.575 1.00 0.00 C ATOM 62 O GLY A 7 11.878 15.117 -0.823 1.00 0.00 O ATOM 0 H GLY A 7 13.952 15.941 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.064 17.453 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.517 15.982 -3.710 1.00 0.00 H new ATOM 66 N CYS A 8 10.201 16.530 -1.327 1.00 0.00 N ATOM 67 CA CYS A 8 9.429 16.215 -0.130 1.00 0.00 C ATOM 68 C CYS A 8 8.398 15.128 -0.417 1.00 0.00 C ATOM 69 O CYS A 8 7.532 15.291 -1.277 1.00 0.00 O ATOM 70 CB CYS A 8 8.732 17.470 0.397 1.00 0.00 C ATOM 71 SG CYS A 8 9.851 18.678 1.144 1.00 0.00 S ATOM 0 H CYS A 8 9.767 17.222 -1.939 1.00 0.00 H new ATOM 0 HA CYS A 8 10.118 15.845 0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.196 17.946 -0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.987 17.175 1.136 1.00 0.00 H new ATOM 0 HG CYS A 8 9.168 19.704 1.557 1.00 0.00 H new ATOM 77 N HIS A 9 8.499 14.018 0.307 1.00 0.00 N ATOM 78 CA HIS A 9 7.576 12.903 0.130 1.00 0.00 C ATOM 79 C HIS A 9 6.659 12.759 1.341 1.00 0.00 C ATOM 80 O HIS A 9 6.961 13.259 2.425 1.00 0.00 O ATOM 81 CB HIS A 9 8.350 11.604 -0.097 1.00 0.00 C ATOM 82 CG HIS A 9 8.638 11.323 -1.540 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.703 11.880 -2.217 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.995 10.537 -2.434 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.701 11.450 -3.466 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.675 10.633 -3.624 1.00 0.00 N ATOM 0 H HIS A 9 9.211 13.867 1.022 1.00 0.00 H new ATOM 0 HA HIS A 9 6.961 13.108 -0.746 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.291 11.651 0.450 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.780 10.774 0.320 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.112 9.944 -2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.417 11.720 -4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.428 10.152 -4.489 1.00 0.00 H new ATOM 94 N THR A 10 5.538 12.071 1.149 1.00 0.00 N ATOM 95 CA THR A 10 4.577 11.862 2.225 1.00 0.00 C ATOM 96 C THR A 10 4.250 10.382 2.391 1.00 0.00 C ATOM 97 O THR A 10 3.613 9.775 1.528 1.00 0.00 O ATOM 98 CB THR A 10 3.271 12.638 1.970 1.00 0.00 C ATOM 99 OG1 THR A 10 3.568 13.992 1.612 1.00 0.00 O ATOM 100 CG2 THR A 10 2.380 12.618 3.203 1.00 0.00 C ATOM 0 H THR A 10 5.273 11.649 0.259 1.00 0.00 H new ATOM 0 HA THR A 10 5.040 12.234 3.139 1.00 0.00 H new ATOM 0 HB THR A 10 2.741 12.154 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.031 14.601 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.464 13.172 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.132 11.587 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.905 13.080 4.039 1.00 0.00 H new ATOM 108 N LEU A 11 4.690 9.805 3.504 1.00 0.00 N ATOM 109 CA LEU A 11 4.443 8.395 3.784 1.00 0.00 C ATOM 110 C LEU A 11 3.223 8.223 4.683 1.00 0.00 C ATOM 111 O LEU A 11 2.965 9.047 5.561 1.00 0.00 O ATOM 112 CB LEU A 11 5.670 7.764 4.444 1.00 0.00 C ATOM 113 CG LEU A 11 6.996 7.937 3.701 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.156 7.984 4.683 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.193 6.814 2.693 1.00 0.00 C ATOM 0 H LEU A 11 5.220 10.292 4.227 1.00 0.00 H new ATOM 0 HA LEU A 11 4.247 7.891 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.778 8.187 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.483 6.697 4.568 1.00 0.00 H new ATOM 0 HG LEU A 11 6.967 8.883 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.091 8.107 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.021 8.823 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.189 7.055 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.141 6.953 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.201 5.856 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.378 6.827 1.969 1.00 0.00 H new ATOM 127 N LEU A 12 2.477 7.147 4.460 1.00 0.00 N ATOM 128 CA LEU A 12 1.285 6.865 5.251 1.00 0.00 C ATOM 129 C LEU A 12 1.501 5.649 6.147 1.00 0.00 C ATOM 130 O LEU A 12 2.208 4.712 5.778 1.00 0.00 O ATOM 131 CB LEU A 12 0.083 6.630 4.334 1.00 0.00 C ATOM 132 CG LEU A 12 -0.599 7.885 3.787 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.752 7.508 2.870 1.00 0.00 C ATOM 134 CD2 LEU A 12 -1.089 8.766 4.928 1.00 0.00 C ATOM 0 H LEU A 12 2.677 6.455 3.738 1.00 0.00 H new ATOM 0 HA LEU A 12 1.087 7.730 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.408 6.021 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.658 6.047 4.881 1.00 0.00 H new ATOM 0 HG LEU A 12 0.131 8.449 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.226 8.413 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.375 6.918 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.483 6.922 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.572 9.654 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.804 8.211 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.243 9.064 5.547 1.00 0.00 H new ATOM 146 N TYR A 13 0.884 5.671 7.323 1.00 0.00 N ATOM 147 CA TYR A 13 1.009 4.571 8.272 1.00 0.00 C ATOM 148 C TYR A 13 -0.324 3.851 8.450 1.00 0.00 C ATOM 149 O TYR A 13 -1.257 4.387 9.048 1.00 0.00 O ATOM 150 CB TYR A 13 1.507 5.088 9.623 1.00 0.00 C ATOM 151 CG TYR A 13 2.856 5.768 9.551 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.682 5.601 8.447 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.303 6.578 10.588 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.916 6.219 8.378 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.534 7.202 10.527 1.00 0.00 C ATOM 156 CZ TYR A 13 5.337 7.019 9.420 1.00 0.00 C ATOM 157 OH TYR A 13 6.564 7.638 9.355 1.00 0.00 O ATOM 0 H TYR A 13 0.292 6.438 7.642 1.00 0.00 H new ATOM 0 HA TYR A 13 1.734 3.862 7.873 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.777 5.790 10.026 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.567 4.254 10.322 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.354 4.977 7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.677 6.722 11.456 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.547 6.077 7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.866 7.829 11.341 1.00 0.00 H new ATOM 0 HH TYR A 13 6.708 8.165 10.168 1.00 0.00 H new ATOM 167 N VAL A 14 -0.406 2.632 7.927 1.00 0.00 N ATOM 168 CA VAL A 14 -1.623 1.836 8.029 1.00 0.00 C ATOM 169 C VAL A 14 -1.567 0.897 9.228 1.00 0.00 C ATOM 170 O VAL A 14 -0.504 0.385 9.580 1.00 0.00 O ATOM 171 CB VAL A 14 -1.860 1.007 6.752 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.240 0.368 6.779 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.690 1.875 5.515 1.00 0.00 C ATOM 0 H VAL A 14 0.357 2.174 7.428 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.449 2.536 8.158 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.117 0.210 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.390 -0.213 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.320 -0.288 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.000 1.147 6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.861 1.274 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.409 2.694 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.678 2.280 5.491 1.00 0.00 H new ATOM 183 N TYR A 15 -2.719 0.674 9.852 1.00 0.00 N ATOM 184 CA TYR A 15 -2.801 -0.203 11.014 1.00 0.00 C ATOM 185 C TYR A 15 -4.070 -1.048 10.970 1.00 0.00 C ATOM 186 O TYR A 15 -4.902 -0.892 10.078 1.00 0.00 O ATOM 187 CB TYR A 15 -2.767 0.620 12.303 1.00 0.00 C ATOM 188 CG TYR A 15 -1.612 1.593 12.370 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.698 2.846 11.777 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.434 1.260 13.028 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.645 3.738 11.835 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.624 2.146 13.092 1.00 0.00 C ATOM 193 CZ TYR A 15 0.514 3.384 12.493 1.00 0.00 C ATOM 194 OH TYR A 15 1.564 4.270 12.555 1.00 0.00 O ATOM 0 H TYR A 15 -3.608 1.088 9.573 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.940 -0.872 10.995 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.702 1.172 12.396 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.710 -0.057 13.155 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.604 3.128 11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.344 0.292 13.498 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.729 4.708 11.367 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.532 1.871 13.608 1.00 0.00 H new ATOM 0 HH TYR A 15 1.252 5.165 12.304 1.00 0.00 H new ATOM 204 N ASN A 16 -4.211 -1.943 11.943 1.00 0.00 N ATOM 205 CA ASN A 16 -5.379 -2.814 12.017 1.00 0.00 C ATOM 206 C ASN A 16 -5.493 -3.678 10.764 1.00 0.00 C ATOM 207 O ASN A 16 -6.592 -3.925 10.265 1.00 0.00 O ATOM 208 CB ASN A 16 -6.651 -1.982 12.194 1.00 0.00 C ATOM 209 CG ASN A 16 -6.815 -1.470 13.612 1.00 0.00 C ATOM 210 OD1 ASN A 16 -5.882 -0.919 14.196 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.005 -1.651 14.172 1.00 0.00 N ATOM 0 H ASN A 16 -3.532 -2.084 12.691 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.259 -3.470 12.879 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.628 -1.137 11.506 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.517 -2.587 11.927 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.175 -1.328 15.124 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.749 -2.113 13.650 1.00 0.00 H new ATOM 218 N LEU A 17 -4.352 -4.135 10.262 1.00 0.00 N ATOM 219 CA LEU A 17 -4.323 -4.973 9.068 1.00 0.00 C ATOM 220 C LEU A 17 -4.695 -6.414 9.405 1.00 0.00 C ATOM 221 O LEU A 17 -4.456 -6.901 10.510 1.00 0.00 O ATOM 222 CB LEU A 17 -2.936 -4.930 8.425 1.00 0.00 C ATOM 223 CG LEU A 17 -2.587 -3.648 7.667 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.079 -3.458 7.606 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.179 -3.679 6.266 1.00 0.00 C ATOM 0 H LEU A 17 -3.435 -3.940 10.663 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.057 -4.583 8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.191 -5.081 9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.851 -5.770 7.736 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.018 -2.803 8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.849 -2.541 7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.680 -3.390 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.626 -4.306 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.921 -2.759 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.778 -4.533 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.263 -3.767 6.331 1.00 0.00 H new ATOM 237 N PRO A 18 -5.293 -7.114 8.429 1.00 0.00 N ATOM 238 CA PRO A 18 -5.708 -8.510 8.597 1.00 0.00 C ATOM 239 C PRO A 18 -4.520 -9.461 8.686 1.00 0.00 C ATOM 240 O PRO A 18 -4.045 -9.972 7.673 1.00 0.00 O ATOM 241 CB PRO A 18 -6.525 -8.791 7.334 1.00 0.00 C ATOM 242 CG PRO A 18 -6.002 -7.831 6.322 1.00 0.00 C ATOM 243 CD PRO A 18 -5.609 -6.597 7.087 1.00 0.00 C ATOM 0 HA PRO A 18 -6.263 -8.662 9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.400 -9.822 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.590 -8.640 7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.147 -8.250 5.792 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.760 -7.601 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.750 -6.101 6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.419 -5.868 7.118 1.00 0.00 H new ATOM 251 N ALA A 19 -4.046 -9.696 9.905 1.00 0.00 N ATOM 252 CA ALA A 19 -2.915 -10.588 10.127 1.00 0.00 C ATOM 253 C ALA A 19 -3.169 -11.960 9.511 1.00 0.00 C ATOM 254 O ALA A 19 -2.327 -12.492 8.789 1.00 0.00 O ATOM 255 CB ALA A 19 -2.630 -10.720 11.615 1.00 0.00 C ATOM 0 H ALA A 19 -4.428 -9.281 10.755 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.042 -10.155 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.783 -11.389 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.396 -9.739 12.029 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.507 -11.126 12.119 1.00 0.00 H new ATOM 261 N ASN A 20 -4.336 -12.527 9.802 1.00 0.00 N ATOM 262 CA ASN A 20 -4.700 -13.838 9.277 1.00 0.00 C ATOM 263 C ASN A 20 -4.444 -13.913 7.775 1.00 0.00 C ATOM 264 O ASN A 20 -3.823 -14.857 7.286 1.00 0.00 O ATOM 265 CB ASN A 20 -6.172 -14.136 9.570 1.00 0.00 C ATOM 266 CG ASN A 20 -6.420 -14.439 11.036 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.482 -14.544 11.826 1.00 0.00 O ATOM 268 ND2 ASN A 20 -7.687 -14.581 11.404 1.00 0.00 N ATOM 0 H ASN A 20 -5.045 -12.099 10.398 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.079 -14.585 9.771 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.779 -13.282 9.270 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.495 -14.984 8.967 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.916 -14.786 12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.432 -14.485 10.714 1.00 0.00 H new ATOM 275 N LYS A 21 -4.926 -12.911 7.047 1.00 0.00 N ATOM 276 CA LYS A 21 -4.749 -12.861 5.601 1.00 0.00 C ATOM 277 C LYS A 21 -3.269 -12.788 5.236 1.00 0.00 C ATOM 278 O LYS A 21 -2.615 -11.769 5.459 1.00 0.00 O ATOM 279 CB LYS A 21 -5.489 -11.655 5.017 1.00 0.00 C ATOM 280 CG LYS A 21 -6.933 -11.549 5.474 1.00 0.00 C ATOM 281 CD LYS A 21 -7.801 -12.620 4.835 1.00 0.00 C ATOM 282 CE LYS A 21 -7.760 -12.538 3.317 1.00 0.00 C ATOM 283 NZ LYS A 21 -6.650 -13.351 2.747 1.00 0.00 N ATOM 0 H LYS A 21 -5.443 -12.122 7.436 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.165 -13.775 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.960 -10.744 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.464 -11.716 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.980 -11.641 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.324 -10.564 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.462 -13.605 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.829 -12.509 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.710 -12.884 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.642 -11.498 3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.920 -12.719 2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.234 -13.943 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.019 -13.959 1.989 1.00 0.00 H new ATOM 297 N ASP A 22 -2.749 -13.873 4.674 1.00 0.00 N ATOM 298 CA ASP A 22 -1.347 -13.931 4.276 1.00 0.00 C ATOM 299 C ASP A 22 -0.875 -12.578 3.753 1.00 0.00 C ATOM 300 O ASP A 22 -1.461 -12.020 2.827 1.00 0.00 O ATOM 301 CB ASP A 22 -1.142 -15.005 3.207 1.00 0.00 C ATOM 302 CG ASP A 22 0.297 -15.472 3.123 1.00 0.00 C ATOM 303 OD1 ASP A 22 1.144 -14.698 2.629 1.00 0.00 O ATOM 304 OD2 ASP A 22 0.578 -16.611 3.552 1.00 0.00 O ATOM 0 H ASP A 22 -3.277 -14.725 4.484 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.755 -14.187 5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.785 -15.858 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.450 -14.612 2.238 1.00 0.00 H new ATOM 309 N GLY A 23 0.190 -12.055 4.355 1.00 0.00 N ATOM 310 CA GLY A 23 0.722 -10.771 3.937 1.00 0.00 C ATOM 311 C GLY A 23 0.783 -10.632 2.429 1.00 0.00 C ATOM 312 O GLY A 23 0.268 -9.666 1.866 1.00 0.00 O ATOM 0 H GLY A 23 0.693 -12.498 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.103 -9.974 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.722 -10.643 4.351 1.00 0.00 H new ATOM 316 N LYS A 24 1.416 -11.598 1.772 1.00 0.00 N ATOM 317 CA LYS A 24 1.544 -11.580 0.320 1.00 0.00 C ATOM 318 C LYS A 24 0.273 -11.044 -0.331 1.00 0.00 C ATOM 319 O LYS A 24 0.329 -10.176 -1.202 1.00 0.00 O ATOM 320 CB LYS A 24 1.844 -12.986 -0.204 1.00 0.00 C ATOM 321 CG LYS A 24 3.176 -13.541 0.271 1.00 0.00 C ATOM 322 CD LYS A 24 4.316 -13.106 -0.634 1.00 0.00 C ATOM 323 CE LYS A 24 4.428 -14.001 -1.858 1.00 0.00 C ATOM 324 NZ LYS A 24 5.163 -15.261 -1.558 1.00 0.00 N ATOM 0 H LYS A 24 1.849 -12.404 2.223 1.00 0.00 H new ATOM 0 HA LYS A 24 2.371 -10.919 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.047 -13.659 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.835 -12.968 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.369 -13.203 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.128 -14.630 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.158 -12.075 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.253 -13.130 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.430 -14.241 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.940 -13.463 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.218 -15.844 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.124 -15.033 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.661 -15.787 -0.815 1.00 0.00 H new ATOM 338 N SER A 25 -0.872 -11.566 0.097 1.00 0.00 N ATOM 339 CA SER A 25 -2.157 -11.141 -0.446 1.00 0.00 C ATOM 340 C SER A 25 -2.492 -9.721 0.000 1.00 0.00 C ATOM 341 O SER A 25 -2.850 -8.871 -0.815 1.00 0.00 O ATOM 342 CB SER A 25 -3.263 -12.101 -0.006 1.00 0.00 C ATOM 343 OG SER A 25 -3.536 -11.965 1.378 1.00 0.00 O ATOM 0 H SER A 25 -0.936 -12.284 0.818 1.00 0.00 H new ATOM 0 HA SER A 25 -2.087 -11.154 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.169 -11.904 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.965 -13.127 -0.222 1.00 0.00 H new ATOM 0 HG SER A 25 -2.770 -12.291 1.896 1.00 0.00 H new ATOM 349 N VAL A 26 -2.374 -9.473 1.300 1.00 0.00 N ATOM 350 CA VAL A 26 -2.664 -8.156 1.856 1.00 0.00 C ATOM 351 C VAL A 26 -2.061 -7.052 0.996 1.00 0.00 C ATOM 352 O VAL A 26 -2.782 -6.246 0.407 1.00 0.00 O ATOM 353 CB VAL A 26 -2.127 -8.024 3.293 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.422 -6.638 3.848 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.721 -9.102 4.186 1.00 0.00 C ATOM 0 H VAL A 26 -2.080 -10.166 1.988 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.749 -8.049 1.870 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.046 -8.159 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.035 -6.563 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.943 -5.886 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.499 -6.471 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.330 -8.993 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.806 -9.002 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.453 -10.085 3.798 1.00 0.00 H new ATOM 365 N SER A 27 -0.734 -7.020 0.927 1.00 0.00 N ATOM 366 CA SER A 27 -0.033 -6.012 0.141 1.00 0.00 C ATOM 367 C SER A 27 -0.787 -5.709 -1.151 1.00 0.00 C ATOM 368 O SER A 27 -1.344 -4.625 -1.317 1.00 0.00 O ATOM 369 CB SER A 27 1.386 -6.483 -0.183 1.00 0.00 C ATOM 370 OG SER A 27 1.368 -7.721 -0.872 1.00 0.00 O ATOM 0 H SER A 27 -0.123 -7.681 1.406 1.00 0.00 H new ATOM 0 HA SER A 27 0.021 -5.098 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.892 -5.733 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.958 -6.585 0.739 1.00 0.00 H new ATOM 0 HG SER A 27 0.930 -8.399 -0.316 1.00 0.00 H new ATOM 376 N ASN A 28 -0.799 -6.676 -2.062 1.00 0.00 N ATOM 377 CA ASN A 28 -1.484 -6.514 -3.340 1.00 0.00 C ATOM 378 C ASN A 28 -2.738 -5.661 -3.180 1.00 0.00 C ATOM 379 O ASN A 28 -2.871 -4.610 -3.808 1.00 0.00 O ATOM 380 CB ASN A 28 -1.853 -7.880 -3.921 1.00 0.00 C ATOM 381 CG ASN A 28 -2.132 -7.818 -5.411 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.221 -7.941 -6.229 1.00 0.00 O ATOM 383 ND2 ASN A 28 -3.396 -7.626 -5.768 1.00 0.00 N ATOM 0 H ASN A 28 -0.343 -7.580 -1.940 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.806 -6.006 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.041 -8.582 -3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.732 -8.266 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.645 -7.575 -6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.118 -7.529 -5.054 1.00 0.00 H new ATOM 390 N ARG A 29 -3.656 -6.119 -2.334 1.00 0.00 N ATOM 391 CA ARG A 29 -4.900 -5.399 -2.092 1.00 0.00 C ATOM 392 C ARG A 29 -4.634 -3.911 -1.883 1.00 0.00 C ATOM 393 O ARG A 29 -5.347 -3.061 -2.418 1.00 0.00 O ATOM 394 CB ARG A 29 -5.619 -5.976 -0.872 1.00 0.00 C ATOM 395 CG ARG A 29 -6.835 -5.171 -0.444 1.00 0.00 C ATOM 396 CD ARG A 29 -7.853 -5.060 -1.567 1.00 0.00 C ATOM 397 NE ARG A 29 -9.141 -4.562 -1.091 1.00 0.00 N ATOM 398 CZ ARG A 29 -10.156 -4.262 -1.894 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.033 -4.411 -3.206 1.00 0.00 N ATOM 400 NH2 ARG A 29 -11.296 -3.814 -1.386 1.00 0.00 N ATOM 0 H ARG A 29 -3.561 -6.986 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.536 -5.517 -2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.929 -6.997 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.918 -6.029 -0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.298 -5.642 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.522 -4.174 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.470 -4.393 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.991 -6.037 -2.029 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.268 -4.438 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.158 -4.756 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.813 -4.180 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.395 -3.699 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.074 -3.584 -2.004 1.00 0.00 H new ATOM 414 N LEU A 30 -3.605 -3.603 -1.101 1.00 0.00 N ATOM 415 CA LEU A 30 -3.245 -2.218 -0.820 1.00 0.00 C ATOM 416 C LEU A 30 -2.620 -1.558 -2.045 1.00 0.00 C ATOM 417 O LEU A 30 -3.012 -0.459 -2.438 1.00 0.00 O ATOM 418 CB LEU A 30 -2.275 -2.152 0.361 1.00 0.00 C ATOM 419 CG LEU A 30 -2.880 -2.402 1.742 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.860 -3.887 2.073 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.133 -1.608 2.804 1.00 0.00 C ATOM 0 H LEU A 30 -3.005 -4.294 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.156 -1.676 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.483 -2.883 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.805 -1.168 0.365 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.917 -2.067 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.295 -4.046 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.440 -4.433 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.831 -4.247 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.578 -1.799 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.086 -1.912 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.199 -0.544 2.577 1.00 0.00 H new ATOM 433 N ARG A 31 -1.648 -2.237 -2.644 1.00 0.00 N ATOM 434 CA ARG A 31 -0.969 -1.718 -3.825 1.00 0.00 C ATOM 435 C ARG A 31 -1.951 -0.993 -4.742 1.00 0.00 C ATOM 436 O ARG A 31 -1.687 0.122 -5.192 1.00 0.00 O ATOM 437 CB ARG A 31 -0.286 -2.854 -4.589 1.00 0.00 C ATOM 438 CG ARG A 31 0.982 -3.360 -3.921 1.00 0.00 C ATOM 439 CD ARG A 31 1.530 -4.591 -4.626 1.00 0.00 C ATOM 440 NE ARG A 31 2.428 -4.239 -5.723 1.00 0.00 N ATOM 441 CZ ARG A 31 2.875 -5.115 -6.617 1.00 0.00 C ATOM 442 NH1 ARG A 31 2.509 -6.387 -6.543 1.00 0.00 N ATOM 443 NH2 ARG A 31 3.689 -4.718 -7.586 1.00 0.00 N ATOM 0 H ARG A 31 -1.313 -3.148 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.213 -1.006 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.987 -3.682 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.045 -2.511 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.735 -2.572 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.775 -3.599 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.063 -5.214 -3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.702 -5.186 -5.012 1.00 0.00 H new ATOM 0 HE ARG A 31 2.728 -3.268 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.883 -6.695 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.853 -7.058 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.972 -3.740 -7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.032 -5.391 -8.272 1.00 0.00 H new ATOM 457 N ARG A 32 -3.082 -1.635 -5.014 1.00 0.00 N ATOM 458 CA ARG A 32 -4.102 -1.053 -5.878 1.00 0.00 C ATOM 459 C ARG A 32 -4.588 0.283 -5.322 1.00 0.00 C ATOM 460 O ARG A 32 -4.637 1.284 -6.037 1.00 0.00 O ATOM 461 CB ARG A 32 -5.282 -2.014 -6.029 1.00 0.00 C ATOM 462 CG ARG A 32 -5.151 -2.959 -7.212 1.00 0.00 C ATOM 463 CD ARG A 32 -5.798 -2.381 -8.461 1.00 0.00 C ATOM 464 NE ARG A 32 -7.205 -2.757 -8.573 1.00 0.00 N ATOM 465 CZ ARG A 32 -7.616 -3.990 -8.848 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.732 -4.960 -9.038 1.00 0.00 N ATOM 467 NH2 ARG A 32 -8.913 -4.254 -8.933 1.00 0.00 N ATOM 0 H ARG A 32 -3.315 -2.558 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.656 -0.879 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.381 -2.601 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.199 -1.435 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.097 -3.157 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.616 -3.915 -6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.714 -1.294 -8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.259 -2.728 -9.342 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.910 -2.034 -8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.734 -4.760 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.050 -5.906 -9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.595 -3.510 -8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.228 -5.201 -9.144 1.00 0.00 H new ATOM 481 N LEU A 33 -4.946 0.290 -4.043 1.00 0.00 N ATOM 482 CA LEU A 33 -5.429 1.502 -3.390 1.00 0.00 C ATOM 483 C LEU A 33 -4.347 2.577 -3.370 1.00 0.00 C ATOM 484 O LEU A 33 -4.637 3.760 -3.191 1.00 0.00 O ATOM 485 CB LEU A 33 -5.881 1.190 -1.962 1.00 0.00 C ATOM 486 CG LEU A 33 -7.124 0.310 -1.829 1.00 0.00 C ATOM 487 CD1 LEU A 33 -7.109 -0.437 -0.504 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.388 1.148 -1.957 1.00 0.00 C ATOM 0 H LEU A 33 -4.911 -0.530 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.279 1.878 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.058 0.703 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.071 2.132 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.115 -0.422 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.001 -1.058 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.222 -1.068 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.093 0.279 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.262 0.505 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.404 1.904 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.404 1.637 -2.931 1.00 0.00 H new ATOM 500 N SER A 34 -3.100 2.158 -3.556 1.00 0.00 N ATOM 501 CA SER A 34 -1.974 3.085 -3.558 1.00 0.00 C ATOM 502 C SER A 34 -1.676 3.575 -4.972 1.00 0.00 C ATOM 503 O SER A 34 -1.308 4.732 -5.174 1.00 0.00 O ATOM 504 CB SER A 34 -0.732 2.413 -2.967 1.00 0.00 C ATOM 505 OG SER A 34 -0.157 1.504 -3.889 1.00 0.00 O ATOM 0 H SER A 34 -2.843 1.182 -3.707 1.00 0.00 H new ATOM 0 HA SER A 34 -2.242 3.944 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.001 3.172 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.001 1.886 -2.051 1.00 0.00 H new ATOM 0 HG SER A 34 -0.868 1.044 -4.381 1.00 0.00 H new ATOM 511 N ASP A 35 -1.839 2.687 -5.946 1.00 0.00 N ATOM 512 CA ASP A 35 -1.590 3.028 -7.341 1.00 0.00 C ATOM 513 C ASP A 35 -2.516 4.150 -7.801 1.00 0.00 C ATOM 514 O ASP A 35 -2.082 5.101 -8.448 1.00 0.00 O ATOM 515 CB ASP A 35 -1.777 1.798 -8.231 1.00 0.00 C ATOM 516 CG ASP A 35 -1.081 1.941 -9.570 1.00 0.00 C ATOM 517 OD1 ASP A 35 0.149 1.732 -9.625 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.766 2.260 -10.564 1.00 0.00 O ATOM 0 H ASP A 35 -2.143 1.725 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.560 3.374 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.391 0.918 -7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.841 1.630 -8.394 1.00 0.00 H new ATOM 523 N ASN A 36 -3.796 4.029 -7.462 1.00 0.00 N ATOM 524 CA ASN A 36 -4.785 5.032 -7.841 1.00 0.00 C ATOM 525 C ASN A 36 -4.581 6.322 -7.053 1.00 0.00 C ATOM 526 O ASN A 36 -4.784 7.419 -7.575 1.00 0.00 O ATOM 527 CB ASN A 36 -6.199 4.497 -7.608 1.00 0.00 C ATOM 528 CG ASN A 36 -7.230 5.188 -8.480 1.00 0.00 C ATOM 529 OD1 ASN A 36 -6.884 5.926 -9.403 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.504 4.952 -8.190 1.00 0.00 N ATOM 0 H ASN A 36 -4.172 3.247 -6.926 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.656 5.251 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.217 3.426 -7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.466 4.629 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.242 5.390 -8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.745 4.333 -7.416 1.00 0.00 H new ATOM 537 N CYS A 37 -4.178 6.183 -5.795 1.00 0.00 N ATOM 538 CA CYS A 37 -3.947 7.337 -4.934 1.00 0.00 C ATOM 539 C CYS A 37 -2.483 7.762 -4.976 1.00 0.00 C ATOM 540 O CYS A 37 -1.944 8.267 -3.993 1.00 0.00 O ATOM 541 CB CYS A 37 -4.356 7.017 -3.496 1.00 0.00 C ATOM 542 SG CYS A 37 -6.043 6.385 -3.331 1.00 0.00 S ATOM 0 H CYS A 37 -4.004 5.282 -5.349 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.557 8.162 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.663 6.282 -3.087 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.257 7.919 -2.892 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.016 5.087 -3.264 1.00 0.00 H new ATOM 548 N GLY A 38 -1.844 7.552 -6.123 1.00 0.00 N ATOM 549 CA GLY A 38 -0.447 7.917 -6.272 1.00 0.00 C ATOM 550 C GLY A 38 0.384 7.537 -5.062 1.00 0.00 C ATOM 551 O GLY A 38 0.814 8.400 -4.299 1.00 0.00 O ATOM 0 H GLY A 38 -2.269 7.136 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.039 7.428 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.371 8.992 -6.438 1.00 0.00 H new ATOM 555 N GLY A 39 0.609 6.238 -4.886 1.00 0.00 N ATOM 556 CA GLY A 39 1.391 5.768 -3.757 1.00 0.00 C ATOM 557 C GLY A 39 2.005 4.404 -4.005 1.00 0.00 C ATOM 558 O GLY A 39 1.682 3.739 -4.990 1.00 0.00 O ATOM 0 H GLY A 39 0.264 5.504 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.183 6.486 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.755 5.722 -2.873 1.00 0.00 H new ATOM 562 N LYS A 40 2.893 3.985 -3.111 1.00 0.00 N ATOM 563 CA LYS A 40 3.555 2.692 -3.236 1.00 0.00 C ATOM 564 C LYS A 40 3.876 2.110 -1.863 1.00 0.00 C ATOM 565 O LYS A 40 4.647 2.688 -1.097 1.00 0.00 O ATOM 566 CB LYS A 40 4.840 2.831 -4.056 1.00 0.00 C ATOM 567 CG LYS A 40 5.515 1.504 -4.358 1.00 0.00 C ATOM 568 CD LYS A 40 6.873 1.705 -5.008 1.00 0.00 C ATOM 569 CE LYS A 40 7.755 0.476 -4.848 1.00 0.00 C ATOM 570 NZ LYS A 40 8.244 0.322 -3.450 1.00 0.00 N ATOM 0 H LYS A 40 3.172 4.523 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 40 2.875 2.012 -3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.609 3.334 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.539 3.470 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.633 0.936 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.879 0.913 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.741 1.924 -6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.366 2.569 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.195 -0.413 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.607 0.550 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.051 -0.334 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.543 1.248 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.480 -0.056 -2.855 1.00 0.00 H new ATOM 584 N VAL A 41 3.280 0.961 -1.559 1.00 0.00 N ATOM 585 CA VAL A 41 3.504 0.299 -0.280 1.00 0.00 C ATOM 586 C VAL A 41 4.977 -0.046 -0.090 1.00 0.00 C ATOM 587 O VAL A 41 5.461 -1.055 -0.605 1.00 0.00 O ATOM 588 CB VAL A 41 2.667 -0.989 -0.160 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.743 -1.797 -1.446 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.133 -1.817 1.028 1.00 0.00 C ATOM 0 H VAL A 41 2.638 0.470 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 41 3.194 0.998 0.497 1.00 0.00 H new ATOM 0 HB VAL A 41 1.626 -0.712 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.146 -2.703 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.358 -1.201 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.780 -2.067 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.531 -2.723 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.181 -2.086 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.021 -1.235 1.943 1.00 0.00 H new ATOM 600 N LEU A 42 5.686 0.798 0.652 1.00 0.00 N ATOM 601 CA LEU A 42 7.105 0.583 0.911 1.00 0.00 C ATOM 602 C LEU A 42 7.339 -0.774 1.567 1.00 0.00 C ATOM 603 O LEU A 42 8.135 -1.579 1.083 1.00 0.00 O ATOM 604 CB LEU A 42 7.655 1.696 1.805 1.00 0.00 C ATOM 605 CG LEU A 42 7.619 3.107 1.218 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.472 4.053 2.050 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.090 3.095 -0.229 1.00 0.00 C ATOM 0 H LEU A 42 5.301 1.638 1.085 1.00 0.00 H new ATOM 0 HA LEU A 42 7.630 0.600 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.091 1.698 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.688 1.455 2.057 1.00 0.00 H new ATOM 0 HG LEU A 42 6.589 3.463 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.434 5.053 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.090 4.085 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.503 3.700 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.058 4.108 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.112 2.718 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.438 2.450 -0.818 1.00 0.00 H new ATOM 619 N SER A 43 6.640 -1.022 2.669 1.00 0.00 N ATOM 620 CA SER A 43 6.773 -2.281 3.392 1.00 0.00 C ATOM 621 C SER A 43 5.544 -2.542 4.258 1.00 0.00 C ATOM 622 O SER A 43 4.693 -1.668 4.428 1.00 0.00 O ATOM 623 CB SER A 43 8.030 -2.263 4.263 1.00 0.00 C ATOM 624 OG SER A 43 9.192 -2.493 3.486 1.00 0.00 O ATOM 0 H SER A 43 5.975 -0.367 3.081 1.00 0.00 H new ATOM 0 HA SER A 43 6.858 -3.085 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.112 -1.301 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.950 -3.025 5.038 1.00 0.00 H new ATOM 0 HG SER A 43 8.982 -2.363 2.538 1.00 0.00 H new ATOM 630 N ILE A 44 5.459 -3.751 4.803 1.00 0.00 N ATOM 631 CA ILE A 44 4.336 -4.128 5.653 1.00 0.00 C ATOM 632 C ILE A 44 4.808 -4.905 6.877 1.00 0.00 C ATOM 633 O ILE A 44 5.178 -6.075 6.780 1.00 0.00 O ATOM 634 CB ILE A 44 3.309 -4.981 4.883 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.728 -4.185 3.713 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.202 -5.446 5.816 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.299 -5.049 2.548 1.00 0.00 C ATOM 0 H ILE A 44 6.154 -4.486 4.671 1.00 0.00 H new ATOM 0 HA ILE A 44 3.860 -3.202 5.975 1.00 0.00 H new ATOM 0 HB ILE A 44 3.814 -5.860 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.870 -3.611 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.472 -3.467 3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.484 -6.047 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.631 -6.045 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.696 -4.579 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.897 -4.418 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.158 -5.603 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.532 -5.750 2.878 1.00 0.00 H new ATOM 649 N THR A 45 4.793 -4.245 8.031 1.00 0.00 N ATOM 650 CA THR A 45 5.220 -4.873 9.276 1.00 0.00 C ATOM 651 C THR A 45 4.023 -5.225 10.152 1.00 0.00 C ATOM 652 O THR A 45 3.166 -4.383 10.416 1.00 0.00 O ATOM 653 CB THR A 45 6.172 -3.958 10.069 1.00 0.00 C ATOM 654 OG1 THR A 45 5.430 -2.907 10.698 1.00 0.00 O ATOM 655 CG2 THR A 45 7.233 -3.361 9.157 1.00 0.00 C ATOM 0 H THR A 45 4.490 -3.276 8.130 1.00 0.00 H new ATOM 0 HA THR A 45 5.749 -5.786 9.005 1.00 0.00 H new ATOM 0 HB THR A 45 6.667 -4.559 10.831 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.472 -3.050 10.551 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.894 -2.719 9.739 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.815 -4.163 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.752 -2.773 8.375 1.00 0.00 H new ATOM 663 N GLY A 46 3.971 -6.475 10.602 1.00 0.00 N ATOM 664 CA GLY A 46 2.876 -6.915 11.445 1.00 0.00 C ATOM 665 C GLY A 46 1.524 -6.483 10.912 1.00 0.00 C ATOM 666 O GLY A 46 1.239 -6.638 9.724 1.00 0.00 O ATOM 0 H GLY A 46 4.668 -7.191 10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.900 -8.002 11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.012 -6.515 12.450 1.00 0.00 H new ATOM 670 N CYS A 47 0.689 -5.940 11.792 1.00 0.00 N ATOM 671 CA CYS A 47 -0.641 -5.486 11.404 1.00 0.00 C ATOM 672 C CYS A 47 -0.606 -4.032 10.942 1.00 0.00 C ATOM 673 O CYS A 47 -1.616 -3.330 10.994 1.00 0.00 O ATOM 674 CB CYS A 47 -1.616 -5.639 12.572 1.00 0.00 C ATOM 675 SG CYS A 47 -1.620 -7.286 13.319 1.00 0.00 S ATOM 0 H CYS A 47 0.910 -5.804 12.778 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.981 -6.104 10.573 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.367 -4.905 13.338 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.623 -5.407 12.224 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.474 -7.316 14.299 1.00 0.00 H new ATOM 681 N SER A 48 0.563 -3.587 10.493 1.00 0.00 N ATOM 682 CA SER A 48 0.731 -2.216 10.028 1.00 0.00 C ATOM 683 C SER A 48 1.479 -2.181 8.698 1.00 0.00 C ATOM 684 O SER A 48 2.077 -3.173 8.284 1.00 0.00 O ATOM 685 CB SER A 48 1.485 -1.389 11.071 1.00 0.00 C ATOM 686 OG SER A 48 2.761 -1.945 11.336 1.00 0.00 O ATOM 0 H SER A 48 1.408 -4.156 10.442 1.00 0.00 H new ATOM 0 HA SER A 48 -0.259 -1.785 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.598 -0.365 10.716 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.905 -1.345 11.993 1.00 0.00 H new ATOM 0 HG SER A 48 2.709 -2.922 11.286 1.00 0.00 H new ATOM 692 N ALA A 49 1.439 -1.031 8.034 1.00 0.00 N ATOM 693 CA ALA A 49 2.114 -0.864 6.753 1.00 0.00 C ATOM 694 C ALA A 49 2.535 0.585 6.538 1.00 0.00 C ATOM 695 O ALA A 49 1.971 1.501 7.139 1.00 0.00 O ATOM 696 CB ALA A 49 1.213 -1.328 5.618 1.00 0.00 C ATOM 0 H ALA A 49 0.946 -0.201 8.362 1.00 0.00 H new ATOM 0 HA ALA A 49 3.015 -1.478 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.729 -1.198 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.967 -2.381 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.296 -0.738 5.617 1.00 0.00 H new ATOM 702 N ILE A 50 3.528 0.787 5.679 1.00 0.00 N ATOM 703 CA ILE A 50 4.024 2.126 5.386 1.00 0.00 C ATOM 704 C ILE A 50 4.062 2.381 3.883 1.00 0.00 C ATOM 705 O ILE A 50 4.811 1.732 3.151 1.00 0.00 O ATOM 706 CB ILE A 50 5.432 2.346 5.968 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.376 2.382 7.497 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.036 3.632 5.424 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.739 2.401 8.152 1.00 0.00 C ATOM 0 H ILE A 50 4.005 0.040 5.174 1.00 0.00 H new ATOM 0 HA ILE A 50 3.333 2.827 5.854 1.00 0.00 H new ATOM 0 HB ILE A 50 6.068 1.514 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.819 3.264 7.811 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.823 1.513 7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.031 3.773 5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.107 3.570 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.403 4.476 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.622 2.426 9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.292 1.506 7.868 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.287 3.285 7.826 1.00 0.00 H new ATOM 721 N LEU A 51 3.251 3.330 3.428 1.00 0.00 N ATOM 722 CA LEU A 51 3.194 3.673 2.011 1.00 0.00 C ATOM 723 C LEU A 51 3.996 4.938 1.724 1.00 0.00 C ATOM 724 O LEU A 51 4.304 5.709 2.632 1.00 0.00 O ATOM 725 CB LEU A 51 1.741 3.866 1.572 1.00 0.00 C ATOM 726 CG LEU A 51 0.889 2.599 1.494 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.200 2.336 2.825 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.135 2.713 0.375 1.00 0.00 C ATOM 0 H LEU A 51 2.624 3.875 4.019 1.00 0.00 H new ATOM 0 HA LEU A 51 3.633 2.851 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.263 4.559 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.739 4.342 0.591 1.00 0.00 H new ATOM 0 HG LEU A 51 1.545 1.756 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.402 1.430 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.951 2.209 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.443 3.180 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.732 1.802 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.787 3.566 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.379 2.852 -0.576 1.00 0.00 H new ATOM 740 N ARG A 52 4.331 5.144 0.454 1.00 0.00 N ATOM 741 CA ARG A 52 5.097 6.316 0.047 1.00 0.00 C ATOM 742 C ARG A 52 4.359 7.099 -1.035 1.00 0.00 C ATOM 743 O ARG A 52 4.007 6.552 -2.081 1.00 0.00 O ATOM 744 CB ARG A 52 6.477 5.898 -0.463 1.00 0.00 C ATOM 745 CG ARG A 52 7.157 6.956 -1.316 1.00 0.00 C ATOM 746 CD ARG A 52 8.669 6.917 -1.150 1.00 0.00 C ATOM 747 NE ARG A 52 9.300 6.000 -2.095 1.00 0.00 N ATOM 748 CZ ARG A 52 9.477 6.277 -3.382 1.00 0.00 C ATOM 749 NH1 ARG A 52 9.074 7.440 -3.875 1.00 0.00 N ATOM 750 NH2 ARG A 52 10.060 5.390 -4.179 1.00 0.00 N ATOM 0 H ARG A 52 4.084 4.515 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 52 5.219 6.960 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.115 5.666 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.378 4.982 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.901 6.800 -2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.785 7.942 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.075 7.919 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.914 6.614 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 52 9.623 5.097 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.627 8.125 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.211 7.650 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.373 4.495 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.195 5.604 -5.167 1.00 0.00 H new ATOM 764 N PHE A 53 4.127 8.382 -0.777 1.00 0.00 N ATOM 765 CA PHE A 53 3.429 9.239 -1.728 1.00 0.00 C ATOM 766 C PHE A 53 4.317 10.400 -2.165 1.00 0.00 C ATOM 767 O PHE A 53 5.243 10.790 -1.454 1.00 0.00 O ATOM 768 CB PHE A 53 2.136 9.776 -1.110 1.00 0.00 C ATOM 769 CG PHE A 53 1.144 8.702 -0.769 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.336 7.887 0.335 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.019 8.506 -1.554 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.424 6.898 0.652 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.897 7.518 -1.242 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.693 6.713 -0.138 1.00 0.00 C ATOM 0 H PHE A 53 4.412 8.851 0.083 1.00 0.00 H new ATOM 0 HA PHE A 53 3.183 8.641 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.379 10.335 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.675 10.478 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.209 8.026 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.144 9.132 -2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.585 6.271 1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.771 7.376 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.406 5.940 0.107 1.00 0.00 H new ATOM 784 N ILE A 54 4.028 10.948 -3.341 1.00 0.00 N ATOM 785 CA ILE A 54 4.799 12.064 -3.874 1.00 0.00 C ATOM 786 C ILE A 54 4.616 13.315 -3.022 1.00 0.00 C ATOM 787 O ILE A 54 5.583 14.002 -2.694 1.00 0.00 O ATOM 788 CB ILE A 54 4.398 12.383 -5.327 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.159 13.610 -5.831 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.896 12.606 -5.424 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.451 13.573 -7.315 1.00 0.00 C ATOM 0 H ILE A 54 3.265 10.637 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 54 5.846 11.762 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 54 4.661 11.533 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.579 14.505 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.099 13.693 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.627 12.830 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.373 11.706 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.610 13.441 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.993 14.474 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.057 12.697 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.514 13.521 -7.869 1.00 0.00 H new ATOM 803 N ASN A 55 3.369 13.604 -2.665 1.00 0.00 N ATOM 804 CA ASN A 55 3.059 14.772 -1.849 1.00 0.00 C ATOM 805 C ASN A 55 1.870 14.496 -0.933 1.00 0.00 C ATOM 806 O ASN A 55 1.108 13.556 -1.157 1.00 0.00 O ATOM 807 CB ASN A 55 2.761 15.979 -2.741 1.00 0.00 C ATOM 808 CG ASN A 55 4.023 16.662 -3.230 1.00 0.00 C ATOM 809 OD1 ASN A 55 5.053 16.645 -2.555 1.00 0.00 O ATOM 810 ND2 ASN A 55 3.949 17.269 -4.408 1.00 0.00 N ATOM 0 H ASN A 55 2.557 13.046 -2.928 1.00 0.00 H new ATOM 0 HA ASN A 55 3.928 14.992 -1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.170 15.657 -3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.155 16.696 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.766 17.747 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.075 17.258 -4.933 1.00 0.00 H new ATOM 817 N GLN A 56 1.719 15.323 0.097 1.00 0.00 N ATOM 818 CA GLN A 56 0.623 15.167 1.046 1.00 0.00 C ATOM 819 C GLN A 56 -0.688 14.882 0.321 1.00 0.00 C ATOM 820 O GLN A 56 -1.374 13.904 0.619 1.00 0.00 O ATOM 821 CB GLN A 56 0.481 16.425 1.904 1.00 0.00 C ATOM 822 CG GLN A 56 -0.652 16.348 2.914 1.00 0.00 C ATOM 823 CD GLN A 56 -0.389 17.183 4.152 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.577 17.945 4.207 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.248 17.044 5.155 1.00 0.00 N ATOM 0 H GLN A 56 2.341 16.107 0.295 1.00 0.00 H new ATOM 0 HA GLN A 56 0.852 14.319 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.417 16.601 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.318 17.283 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.576 16.684 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.803 15.309 3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.035 16.401 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.121 17.580 6.013 1.00 0.00 H new ATOM 834 N ASP A 57 -1.031 15.743 -0.631 1.00 0.00 N ATOM 835 CA ASP A 57 -2.261 15.583 -1.400 1.00 0.00 C ATOM 836 C ASP A 57 -2.480 14.122 -1.776 1.00 0.00 C ATOM 837 O ASP A 57 -3.410 13.478 -1.291 1.00 0.00 O ATOM 838 CB ASP A 57 -2.214 16.447 -2.661 1.00 0.00 C ATOM 839 CG ASP A 57 -3.573 16.581 -3.321 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.480 17.170 -2.697 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.728 16.099 -4.462 1.00 0.00 O ATOM 0 H ASP A 57 -0.475 16.559 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.095 15.907 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.838 17.438 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.510 16.012 -3.370 1.00 0.00 H new ATOM 846 N SER A 58 -1.618 13.604 -2.646 1.00 0.00 N ATOM 847 CA SER A 58 -1.720 12.219 -3.092 1.00 0.00 C ATOM 848 C SER A 58 -1.847 11.273 -1.902 1.00 0.00 C ATOM 849 O SER A 58 -2.538 10.258 -1.973 1.00 0.00 O ATOM 850 CB SER A 58 -0.499 11.840 -3.932 1.00 0.00 C ATOM 851 OG SER A 58 -0.642 12.285 -5.270 1.00 0.00 O ATOM 0 H SER A 58 -0.841 14.123 -3.056 1.00 0.00 H new ATOM 0 HA SER A 58 -2.616 12.126 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.398 12.278 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.365 10.758 -3.918 1.00 0.00 H new ATOM 0 HG SER A 58 0.152 12.032 -5.786 1.00 0.00 H new ATOM 857 N ALA A 59 -1.174 11.615 -0.808 1.00 0.00 N ATOM 858 CA ALA A 59 -1.212 10.798 0.399 1.00 0.00 C ATOM 859 C ALA A 59 -2.560 10.920 1.102 1.00 0.00 C ATOM 860 O ALA A 59 -3.009 9.987 1.767 1.00 0.00 O ATOM 861 CB ALA A 59 -0.085 11.196 1.341 1.00 0.00 C ATOM 0 H ALA A 59 -0.596 12.452 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.077 9.756 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.125 10.578 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.874 11.051 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.195 12.245 1.618 1.00 0.00 H new ATOM 867 N GLU A 60 -3.199 12.076 0.950 1.00 0.00 N ATOM 868 CA GLU A 60 -4.495 12.318 1.573 1.00 0.00 C ATOM 869 C GLU A 60 -5.570 11.429 0.955 1.00 0.00 C ATOM 870 O GLU A 60 -6.096 10.528 1.609 1.00 0.00 O ATOM 871 CB GLU A 60 -4.889 13.790 1.426 1.00 0.00 C ATOM 872 CG GLU A 60 -3.994 14.740 2.204 1.00 0.00 C ATOM 873 CD GLU A 60 -4.705 16.019 2.600 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.490 15.985 3.570 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.476 17.054 1.939 1.00 0.00 O ATOM 0 H GLU A 60 -2.841 12.858 0.402 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.412 12.075 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.862 14.061 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.918 13.917 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.631 14.238 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.120 14.986 1.600 1.00 0.00 H new ATOM 882 N ARG A 61 -5.892 11.690 -0.308 1.00 0.00 N ATOM 883 CA ARG A 61 -6.905 10.915 -1.014 1.00 0.00 C ATOM 884 C ARG A 61 -6.875 9.453 -0.575 1.00 0.00 C ATOM 885 O ARG A 61 -7.911 8.792 -0.516 1.00 0.00 O ATOM 886 CB ARG A 61 -6.689 11.009 -2.525 1.00 0.00 C ATOM 887 CG ARG A 61 -6.636 12.437 -3.044 1.00 0.00 C ATOM 888 CD ARG A 61 -6.442 12.474 -4.552 1.00 0.00 C ATOM 889 NE ARG A 61 -7.715 12.474 -5.268 1.00 0.00 N ATOM 890 CZ ARG A 61 -7.816 12.385 -6.589 1.00 0.00 C ATOM 891 NH1 ARG A 61 -6.724 12.289 -7.335 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.010 12.391 -7.167 1.00 0.00 N ATOM 0 H ARG A 61 -5.466 12.432 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.882 11.331 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.759 10.503 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.493 10.476 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.558 12.955 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.820 12.972 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.874 13.364 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.851 11.612 -4.863 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.574 12.546 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.804 12.283 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.804 12.221 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.852 12.464 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.086 12.323 -8.182 1.00 0.00 H new ATOM 906 N ALA A 62 -5.681 8.957 -0.271 1.00 0.00 N ATOM 907 CA ALA A 62 -5.516 7.575 0.163 1.00 0.00 C ATOM 908 C ALA A 62 -5.817 7.427 1.651 1.00 0.00 C ATOM 909 O ALA A 62 -6.492 6.485 2.066 1.00 0.00 O ATOM 910 CB ALA A 62 -4.107 7.090 -0.143 1.00 0.00 C ATOM 0 H ALA A 62 -4.813 9.491 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.228 6.960 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.998 6.057 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.927 7.149 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.385 7.716 0.381 1.00 0.00 H new ATOM 916 N GLN A 63 -5.312 8.363 2.448 1.00 0.00 N ATOM 917 CA GLN A 63 -5.527 8.335 3.890 1.00 0.00 C ATOM 918 C GLN A 63 -7.011 8.450 4.222 1.00 0.00 C ATOM 919 O GLN A 63 -7.506 7.792 5.138 1.00 0.00 O ATOM 920 CB GLN A 63 -4.752 9.468 4.564 1.00 0.00 C ATOM 921 CG GLN A 63 -4.726 9.369 6.081 1.00 0.00 C ATOM 922 CD GLN A 63 -5.902 10.070 6.732 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.475 11.002 6.167 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.270 9.623 7.927 1.00 0.00 N ATOM 0 H GLN A 63 -4.752 9.150 2.120 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.162 7.380 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.728 9.469 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.196 10.421 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.727 8.319 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.798 9.802 6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.767 8.848 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.056 10.055 8.413 1.00 0.00 H new ATOM 933 N LYS A 64 -7.717 9.289 3.472 1.00 0.00 N ATOM 934 CA LYS A 64 -9.145 9.490 3.685 1.00 0.00 C ATOM 935 C LYS A 64 -9.949 8.328 3.112 1.00 0.00 C ATOM 936 O LYS A 64 -11.090 8.094 3.511 1.00 0.00 O ATOM 937 CB LYS A 64 -9.597 10.803 3.042 1.00 0.00 C ATOM 938 CG LYS A 64 -9.560 10.782 1.524 1.00 0.00 C ATOM 939 CD LYS A 64 -10.870 10.279 0.941 1.00 0.00 C ATOM 940 CE LYS A 64 -11.879 11.407 0.783 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.906 11.091 -0.249 1.00 0.00 N ATOM 0 H LYS A 64 -7.323 9.841 2.710 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.324 9.538 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.612 11.027 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.960 11.612 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.356 11.785 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.742 10.144 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.684 9.817 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.285 9.506 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.369 11.592 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.358 12.324 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.575 11.883 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.441 10.939 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.420 10.230 0.025 1.00 0.00 H new ATOM 955 N ARG A 65 -9.347 7.602 2.176 1.00 0.00 N ATOM 956 CA ARG A 65 -10.008 6.464 1.549 1.00 0.00 C ATOM 957 C ARG A 65 -9.629 5.162 2.249 1.00 0.00 C ATOM 958 O ARG A 65 -10.460 4.533 2.904 1.00 0.00 O ATOM 959 CB ARG A 65 -9.638 6.385 0.067 1.00 0.00 C ATOM 960 CG ARG A 65 -9.892 5.020 -0.552 1.00 0.00 C ATOM 961 CD ARG A 65 -11.371 4.669 -0.539 1.00 0.00 C ATOM 962 NE ARG A 65 -11.691 3.613 -1.496 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.761 3.807 -2.808 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.534 5.010 -3.317 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.058 2.796 -3.615 1.00 0.00 N ATOM 0 H ARG A 65 -8.403 7.782 1.835 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.085 6.606 1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.208 7.135 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.584 6.637 -0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.524 5.010 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.332 4.261 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.659 4.350 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.957 5.558 -0.771 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.871 2.675 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.305 5.790 -2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.588 5.156 -4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.233 1.869 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.111 2.946 -4.622 1.00 0.00 H new ATOM 979 N MET A 66 -8.369 4.763 2.104 1.00 0.00 N ATOM 980 CA MET A 66 -7.880 3.537 2.723 1.00 0.00 C ATOM 981 C MET A 66 -8.442 3.377 4.132 1.00 0.00 C ATOM 982 O MET A 66 -8.785 2.272 4.551 1.00 0.00 O ATOM 983 CB MET A 66 -6.351 3.537 2.768 1.00 0.00 C ATOM 984 CG MET A 66 -5.703 3.319 1.411 1.00 0.00 C ATOM 985 SD MET A 66 -4.006 2.722 1.540 1.00 0.00 S ATOM 986 CE MET A 66 -3.106 4.112 0.858 1.00 0.00 C ATOM 0 H MET A 66 -7.669 5.271 1.563 1.00 0.00 H new ATOM 0 HA MET A 66 -8.218 2.695 2.119 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.008 4.487 3.177 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.016 2.757 3.451 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.294 2.602 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.713 4.255 0.853 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.172 4.244 1.404 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.889 3.924 -0.193 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.709 5.015 0.948 1.00 0.00 H new ATOM 996 N GLU A 67 -8.534 4.487 4.857 1.00 0.00 N ATOM 997 CA GLU A 67 -9.053 4.469 6.220 1.00 0.00 C ATOM 998 C GLU A 67 -10.396 3.747 6.280 1.00 0.00 C ATOM 999 O GLU A 67 -10.579 2.818 7.066 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.204 5.895 6.751 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.220 6.726 5.986 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.236 8.178 6.423 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.162 8.700 6.787 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.324 8.791 6.402 1.00 0.00 O ATOM 0 H GLU A 67 -8.256 5.410 4.524 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.341 3.930 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.497 5.854 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.235 6.393 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.997 6.674 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.213 6.298 6.126 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.333 4.182 5.444 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.660 3.579 5.402 1.00 0.00 C ATOM 1013 C ASN A 68 -12.610 2.198 4.754 1.00 0.00 C ATOM 1014 O ASN A 68 -13.263 1.262 5.215 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.629 4.480 4.633 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.584 5.918 5.111 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.601 6.852 4.309 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -13.525 6.103 6.425 1.00 0.00 N ATOM 0 H ASN A 68 -11.198 4.950 4.786 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.013 3.468 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.388 4.445 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.643 4.095 4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.492 7.049 6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.513 5.299 7.053 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.831 2.080 3.684 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.696 0.814 2.974 1.00 0.00 C ATOM 1027 C GLU A 69 -11.451 -0.334 3.950 1.00 0.00 C ATOM 1028 O GLU A 69 -11.302 -0.119 5.153 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.551 0.891 1.962 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.992 1.335 0.577 1.00 0.00 C ATOM 1031 CD GLU A 69 -12.268 0.653 0.124 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -13.360 1.165 0.446 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.174 -0.394 -0.551 1.00 0.00 O ATOM 0 H GLU A 69 -11.284 2.845 3.290 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.629 0.623 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.795 1.583 2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.077 -0.088 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.142 2.415 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.197 1.123 -0.138 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.410 -1.552 3.422 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.182 -2.734 4.245 1.00 0.00 C ATOM 1042 C ASP A 70 -10.475 -3.825 3.446 1.00 0.00 C ATOM 1043 O ASP A 70 -11.083 -4.485 2.603 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.509 -3.265 4.791 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.502 -3.585 3.691 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.451 -2.922 2.634 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.328 -4.500 3.887 1.00 0.00 O ATOM 0 H ASP A 70 -11.532 -1.747 2.428 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.542 -2.447 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.323 -4.163 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.943 -2.526 5.464 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.186 -4.007 3.716 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.396 -5.017 3.022 1.00 0.00 C ATOM 1054 C VAL A 71 -9.173 -6.321 2.880 1.00 0.00 C ATOM 1055 O VAL A 71 -9.381 -6.814 1.771 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.073 -5.298 3.760 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.296 -6.403 3.060 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.240 -4.030 3.860 1.00 0.00 C ATOM 0 H VAL A 71 -8.667 -3.469 4.410 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.174 -4.620 2.031 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.304 -5.634 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.365 -6.588 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.893 -7.315 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.073 -6.099 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.309 -4.247 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.016 -3.662 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.797 -3.271 4.409 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.601 -6.875 4.010 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.355 -8.123 4.012 1.00 0.00 C ATOM 1070 C PHE A 72 -11.166 -8.266 5.296 1.00 0.00 C ATOM 1071 O PHE A 72 -10.611 -8.494 6.371 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.409 -9.315 3.856 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.989 -9.565 2.436 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.908 -9.999 1.493 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.675 -9.368 2.043 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.524 -10.230 0.185 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.286 -9.596 0.737 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.211 -10.029 -0.193 1.00 0.00 C ATOM 0 H PHE A 72 -9.438 -6.479 4.936 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.045 -8.104 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.521 -9.146 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.897 -10.209 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.936 -10.159 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.946 -9.032 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.250 -10.567 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.259 -9.436 0.443 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.908 -10.210 -1.214 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.483 -8.131 5.177 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.349 -8.248 6.335 1.00 0.00 C ATOM 1090 C GLY A 73 -12.772 -7.568 7.561 1.00 0.00 C ATOM 1091 O GLY A 73 -13.067 -7.957 8.690 1.00 0.00 O ATOM 0 H GLY A 73 -12.966 -7.943 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.320 -7.811 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.518 -9.302 6.554 1.00 0.00 H new ATOM 1095 N ASN A 74 -11.946 -6.551 7.338 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.324 -5.817 8.435 1.00 0.00 C ATOM 1097 C ASN A 74 -11.122 -4.351 8.062 1.00 0.00 C ATOM 1098 O ASN A 74 -10.702 -4.036 6.949 1.00 0.00 O ATOM 1099 CB ASN A 74 -9.982 -6.452 8.804 1.00 0.00 C ATOM 1100 CG ASN A 74 -8.830 -5.871 8.008 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -8.613 -6.236 6.852 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.083 -4.962 8.624 1.00 0.00 N ATOM 0 H ASN A 74 -11.692 -6.216 6.409 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.990 -5.865 9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.795 -6.307 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.033 -7.527 8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.293 -4.537 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.299 -4.689 9.583 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.422 -3.461 9.002 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.273 -2.029 8.773 1.00 0.00 C ATOM 1111 C ARG A 75 -9.855 -1.570 9.102 1.00 0.00 C ATOM 1112 O ARG A 75 -9.417 -1.652 10.250 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.282 -1.248 9.617 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.738 0.052 8.973 1.00 0.00 C ATOM 1115 CD ARG A 75 -13.951 -0.164 8.082 1.00 0.00 C ATOM 1116 NE ARG A 75 -15.203 -0.067 8.828 1.00 0.00 N ATOM 1117 CZ ARG A 75 -15.668 1.068 9.338 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -14.988 2.196 9.183 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -16.815 1.076 10.005 1.00 0.00 N ATOM 0 H ARG A 75 -11.770 -3.706 9.929 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.464 -1.834 7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.153 -1.877 9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.837 -1.027 10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.980 0.779 9.749 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.923 0.473 8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.948 0.575 7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.885 -1.145 7.611 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.750 -0.917 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.106 2.193 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.347 3.066 9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.340 0.210 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.171 1.948 10.396 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.144 -1.088 8.088 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.777 -0.616 8.270 1.00 0.00 C ATOM 1135 C ILE A 76 -7.754 0.839 8.725 1.00 0.00 C ATOM 1136 O ILE A 76 -8.705 1.587 8.495 1.00 0.00 O ATOM 1137 CB ILE A 76 -6.958 -0.750 6.972 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.705 -0.105 5.803 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.666 -2.214 6.678 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.886 -0.020 4.535 1.00 0.00 C ATOM 0 H ILE A 76 -9.492 -1.014 7.132 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.327 -1.242 9.040 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.009 -0.230 7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.612 -0.676 5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.018 0.898 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.087 -2.292 5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.097 -2.644 7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.605 -2.756 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.479 0.448 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.992 0.576 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.595 -1.023 4.222 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.662 1.233 9.371 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.514 2.600 9.856 1.00 0.00 C ATOM 1154 C ILE A 77 -5.263 3.255 9.281 1.00 0.00 C ATOM 1155 O ILE A 77 -4.144 2.804 9.528 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.444 2.647 11.394 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.660 1.945 12.003 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.361 4.088 11.876 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.581 1.795 13.506 1.00 0.00 C ATOM 0 H ILE A 77 -5.867 0.626 9.571 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.394 3.150 9.523 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.545 2.123 11.719 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.559 2.507 11.749 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.763 0.958 11.552 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.312 4.105 12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.468 4.558 11.465 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.244 4.634 11.544 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.476 1.289 13.869 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.701 1.207 13.767 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.509 2.780 13.967 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.459 4.322 8.514 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.346 5.042 7.906 1.00 0.00 C ATOM 1173 C VAL A 78 -4.114 6.381 8.598 1.00 0.00 C ATOM 1174 O VAL A 78 -5.028 7.197 8.716 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.590 5.288 6.405 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.318 5.778 5.731 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.105 4.023 5.736 1.00 0.00 C ATOM 0 H VAL A 78 -6.378 4.707 8.299 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.461 4.417 8.025 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.350 6.063 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.509 5.946 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.997 6.711 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.535 5.028 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.272 4.214 4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.370 3.226 5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.043 3.721 6.202 1.00 0.00 H new ATOM 1187 N SER A 79 -2.884 6.600 9.053 1.00 0.00 N ATOM 1188 CA SER A 79 -2.532 7.838 9.737 1.00 0.00 C ATOM 1189 C SER A 79 -1.192 8.371 9.239 1.00 0.00 C ATOM 1190 O SER A 79 -0.340 7.610 8.779 1.00 0.00 O ATOM 1191 CB SER A 79 -2.474 7.613 11.249 1.00 0.00 C ATOM 1192 OG SER A 79 -2.841 8.786 11.954 1.00 0.00 O ATOM 0 H SER A 79 -2.115 5.936 8.960 1.00 0.00 H new ATOM 0 HA SER A 79 -3.302 8.577 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.141 6.796 11.524 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.467 7.312 11.537 1.00 0.00 H new ATOM 0 HG SER A 79 -2.797 8.615 12.918 1.00 0.00 H new ATOM 1198 N PHE A 80 -1.012 9.684 9.334 1.00 0.00 N ATOM 1199 CA PHE A 80 0.224 10.321 8.893 1.00 0.00 C ATOM 1200 C PHE A 80 1.293 10.243 9.979 1.00 0.00 C ATOM 1201 O PHE A 80 2.481 10.431 9.712 1.00 0.00 O ATOM 1202 CB PHE A 80 -0.035 11.782 8.520 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.821 11.947 7.251 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -0.283 11.563 6.033 1.00 0.00 C ATOM 1205 CD2 PHE A 80 -2.097 12.486 7.275 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -1.004 11.712 4.863 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -2.823 12.637 6.109 1.00 0.00 C ATOM 1208 CZ PHE A 80 -2.275 12.251 4.901 1.00 0.00 C ATOM 0 H PHE A 80 -1.706 10.328 9.713 1.00 0.00 H new ATOM 0 HA PHE A 80 0.585 9.788 8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.571 12.267 9.336 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.920 12.297 8.416 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.711 11.142 5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.529 12.792 8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.574 11.407 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.818 13.056 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.839 12.371 3.988 1.00 0.00 H new ATOM 1218 N THR A 81 0.863 9.966 11.206 1.00 0.00 N ATOM 1219 CA THR A 81 1.782 9.865 12.333 1.00 0.00 C ATOM 1220 C THR A 81 1.870 8.431 12.844 1.00 0.00 C ATOM 1221 O THR A 81 0.972 7.615 12.634 1.00 0.00 O ATOM 1222 CB THR A 81 1.354 10.785 13.491 1.00 0.00 C ATOM 1223 OG1 THR A 81 -0.073 10.782 13.618 1.00 0.00 O ATOM 1224 CG2 THR A 81 1.845 12.207 13.262 1.00 0.00 C ATOM 0 H THR A 81 -0.116 9.808 11.445 1.00 0.00 H new ATOM 0 HA THR A 81 2.761 10.180 11.972 1.00 0.00 H new ATOM 0 HB THR A 81 1.801 10.407 14.411 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.337 11.368 14.358 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.531 12.839 14.093 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.933 12.210 13.195 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.424 12.592 12.334 1.00 0.00 H new ATOM 1232 N PRO A 82 2.976 8.114 13.533 1.00 0.00 N ATOM 1233 CA PRO A 82 3.206 6.778 14.090 1.00 0.00 C ATOM 1234 C PRO A 82 2.273 6.467 15.255 1.00 0.00 C ATOM 1235 O PRO A 82 1.932 7.349 16.043 1.00 0.00 O ATOM 1236 CB PRO A 82 4.659 6.839 14.569 1.00 0.00 C ATOM 1237 CG PRO A 82 4.911 8.284 14.830 1.00 0.00 C ATOM 1238 CD PRO A 82 4.087 9.036 13.822 1.00 0.00 C ATOM 0 HA PRO A 82 3.017 5.993 13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.804 6.243 15.470 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.341 6.448 13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.625 8.553 15.847 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.970 8.521 14.724 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.728 9.984 14.223 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.662 9.266 12.925 1.00 0.00 H new ATOM 1246 N LYS A 83 1.864 5.207 15.359 1.00 0.00 N ATOM 1247 CA LYS A 83 0.971 4.778 16.429 1.00 0.00 C ATOM 1248 C LYS A 83 1.753 4.104 17.553 1.00 0.00 C ATOM 1249 O LYS A 83 1.377 3.033 18.027 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.088 3.818 15.884 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.208 4.513 15.128 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.466 3.662 15.090 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.901 3.247 16.487 1.00 0.00 C ATOM 1254 NZ LYS A 83 -2.344 1.920 16.871 1.00 0.00 N ATOM 0 H LYS A 83 2.137 4.465 14.715 1.00 0.00 H new ATOM 0 HA LYS A 83 0.478 5.662 16.832 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.393 3.097 15.223 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.516 3.254 16.713 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.429 5.470 15.601 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.882 4.729 14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.269 4.220 14.608 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.287 2.773 14.485 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.577 3.999 17.207 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.989 3.211 16.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.098 1.204 16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.587 1.657 16.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.958 1.971 17.835 1.00 0.00 H new ATOM 1268 N ASN A 84 2.842 4.740 17.974 1.00 0.00 N ATOM 1269 CA ASN A 84 3.676 4.202 19.042 1.00 0.00 C ATOM 1270 C ASN A 84 3.561 5.053 20.303 1.00 0.00 C ATOM 1271 O ASN A 84 4.509 5.159 21.081 1.00 0.00 O ATOM 1272 CB ASN A 84 5.136 4.132 18.592 1.00 0.00 C ATOM 1273 CG ASN A 84 5.813 5.489 18.614 1.00 0.00 C ATOM 1274 OD1 ASN A 84 5.152 6.526 18.561 1.00 0.00 O ATOM 1275 ND2 ASN A 84 7.139 5.487 18.694 1.00 0.00 N ATOM 0 H ASN A 84 3.167 5.628 17.592 1.00 0.00 H new ATOM 0 HA ASN A 84 3.325 3.196 19.271 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.681 3.446 19.241 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.183 3.722 17.583 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.650 6.370 18.714 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.646 4.603 18.736 1.00 0.00 H new ATOM 1282 N ARG A 85 2.393 5.657 20.498 1.00 0.00 N ATOM 1283 CA ARG A 85 2.154 6.500 21.664 1.00 0.00 C ATOM 1284 C ARG A 85 0.766 6.243 22.244 1.00 0.00 C ATOM 1285 O ARG A 85 -0.082 5.627 21.600 1.00 0.00 O ATOM 1286 CB ARG A 85 2.298 7.976 21.291 1.00 0.00 C ATOM 1287 CG ARG A 85 3.722 8.496 21.402 1.00 0.00 C ATOM 1288 CD ARG A 85 4.006 9.051 22.789 1.00 0.00 C ATOM 1289 NE ARG A 85 4.514 8.024 23.695 1.00 0.00 N ATOM 1290 CZ ARG A 85 5.156 8.294 24.826 1.00 0.00 C ATOM 1291 NH1 ARG A 85 5.368 9.552 25.188 1.00 0.00 N ATOM 1292 NH2 ARG A 85 5.588 7.305 25.598 1.00 0.00 N ATOM 0 H ARG A 85 1.598 5.578 19.864 1.00 0.00 H new ATOM 0 HA ARG A 85 2.897 6.250 22.421 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.946 8.120 20.269 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.652 8.570 21.937 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.423 7.691 21.181 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.885 9.275 20.657 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.733 9.860 22.714 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.093 9.480 23.202 1.00 0.00 H new ATOM 0 HE ARG A 85 4.368 7.046 23.445 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.038 10.315 24.597 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.861 9.756 26.057 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.427 6.336 25.323 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.081 7.514 26.466 1.00 0.00 H new ATOM 1306 N GLU A 86 0.543 6.721 23.465 1.00 0.00 N ATOM 1307 CA GLU A 86 -0.741 6.542 24.131 1.00 0.00 C ATOM 1308 C GLU A 86 -0.936 7.586 25.226 1.00 0.00 C ATOM 1309 O GLU A 86 -0.052 7.805 26.057 1.00 0.00 O ATOM 1310 CB GLU A 86 -0.839 5.137 24.729 1.00 0.00 C ATOM 1311 CG GLU A 86 -2.160 4.864 25.429 1.00 0.00 C ATOM 1312 CD GLU A 86 -2.187 5.392 26.850 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -1.230 5.116 27.603 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -3.165 6.081 27.209 1.00 0.00 O ATOM 0 H GLU A 86 1.234 7.234 24.012 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.528 6.669 23.387 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.700 4.403 23.935 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.025 4.996 25.440 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.970 5.321 24.860 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.346 3.790 25.441 1.00 0.00 H new ATOM 1321 N LEU A 87 -2.098 8.230 25.222 1.00 0.00 N ATOM 1322 CA LEU A 87 -2.410 9.253 26.214 1.00 0.00 C ATOM 1323 C LEU A 87 -3.896 9.599 26.191 1.00 0.00 C ATOM 1324 O LEU A 87 -4.600 9.291 25.228 1.00 0.00 O ATOM 1325 CB LEU A 87 -1.578 10.510 25.959 1.00 0.00 C ATOM 1326 CG LEU A 87 -1.274 10.828 24.494 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -2.360 11.713 23.903 1.00 0.00 C ATOM 1328 CD2 LEU A 87 0.088 11.494 24.364 1.00 0.00 C ATOM 0 H LEU A 87 -2.840 8.062 24.543 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.164 8.856 27.199 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.101 11.362 26.394 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.633 10.410 26.492 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.253 9.892 23.936 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.126 11.929 22.860 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.320 11.199 23.961 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.414 12.646 24.463 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.287 11.713 23.315 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.095 12.422 24.936 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.858 10.825 24.748 1.00 0.00 H new ATOM 1340 N CYS A 88 -4.365 10.242 27.254 1.00 0.00 N ATOM 1341 CA CYS A 88 -5.766 10.632 27.355 1.00 0.00 C ATOM 1342 C CYS A 88 -5.955 12.092 26.955 1.00 0.00 C ATOM 1343 O CYS A 88 -6.661 12.395 25.994 1.00 0.00 O ATOM 1344 CB CYS A 88 -6.278 10.411 28.779 1.00 0.00 C ATOM 1345 SG CYS A 88 -6.477 8.671 29.230 1.00 0.00 S ATOM 0 H CYS A 88 -3.795 10.504 28.058 1.00 0.00 H new ATOM 0 HA CYS A 88 -6.340 10.009 26.669 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -5.587 10.880 29.479 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -7.237 10.916 28.891 1.00 0.00 H new ATOM 0 HG CYS A 88 -6.912 8.586 30.452 1.00 0.00 H new ATOM 1351 N GLU A 89 -5.320 12.991 27.700 1.00 0.00 N ATOM 1352 CA GLU A 89 -5.420 14.419 27.424 1.00 0.00 C ATOM 1353 C GLU A 89 -5.014 14.725 25.985 1.00 0.00 C ATOM 1354 O GLU A 89 -4.368 13.912 25.324 1.00 0.00 O ATOM 1355 CB GLU A 89 -4.541 15.212 28.394 1.00 0.00 C ATOM 1356 CG GLU A 89 -4.935 16.675 28.515 1.00 0.00 C ATOM 1357 CD GLU A 89 -6.384 16.857 28.921 1.00 0.00 C ATOM 1358 OE1 GLU A 89 -6.936 15.946 29.573 1.00 0.00 O ATOM 1359 OE2 GLU A 89 -6.966 17.910 28.587 1.00 0.00 O ATOM 0 H GLU A 89 -4.731 12.756 28.499 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.459 14.717 27.561 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.591 14.748 29.379 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.504 15.150 28.065 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.292 17.161 29.249 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.763 17.174 27.561 1.00 0.00 H new ATOM 1366 N THR A 90 -5.397 15.905 25.506 1.00 0.00 N ATOM 1367 CA THR A 90 -5.074 16.318 24.146 1.00 0.00 C ATOM 1368 C THR A 90 -3.949 17.347 24.137 1.00 0.00 C ATOM 1369 O THR A 90 -4.141 18.494 24.541 1.00 0.00 O ATOM 1370 CB THR A 90 -6.304 16.913 23.434 1.00 0.00 C ATOM 1371 OG1 THR A 90 -6.795 18.042 24.164 1.00 0.00 O ATOM 1372 CG2 THR A 90 -7.406 15.872 23.297 1.00 0.00 C ATOM 0 H THR A 90 -5.931 16.591 26.040 1.00 0.00 H new ATOM 0 HA THR A 90 -4.750 15.425 23.612 1.00 0.00 H new ATOM 0 HB THR A 90 -6.000 17.231 22.437 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.045 18.620 24.416 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.264 16.315 22.791 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.038 15.027 22.715 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.706 15.527 24.287 1.00 0.00 H new ATOM 1380 N SER A 91 -2.776 16.929 23.672 1.00 0.00 N ATOM 1381 CA SER A 91 -1.619 17.814 23.613 1.00 0.00 C ATOM 1382 C SER A 91 -1.869 18.972 22.651 1.00 0.00 C ATOM 1383 O SER A 91 -1.687 18.839 21.442 1.00 0.00 O ATOM 1384 CB SER A 91 -0.376 17.035 23.179 1.00 0.00 C ATOM 1385 OG SER A 91 0.803 17.787 23.408 1.00 0.00 O ATOM 0 H SER A 91 -2.602 15.984 23.331 1.00 0.00 H new ATOM 0 HA SER A 91 -1.454 18.222 24.610 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.323 16.094 23.727 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.451 16.784 22.121 1.00 0.00 H new ATOM 0 HG SER A 91 1.583 17.267 23.124 1.00 0.00 H new ATOM 1391 N GLY A 92 -2.287 20.109 23.200 1.00 0.00 N ATOM 1392 CA GLY A 92 -2.555 21.274 22.377 1.00 0.00 C ATOM 1393 C GLY A 92 -4.034 21.460 22.100 1.00 0.00 C ATOM 1394 O GLY A 92 -4.777 20.497 21.908 1.00 0.00 O ATOM 0 H GLY A 92 -2.445 20.244 24.199 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.167 22.163 22.874 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.021 21.178 21.432 1.00 0.00 H new ATOM 1398 N PRO A 93 -4.482 22.724 22.080 1.00 0.00 N ATOM 1399 CA PRO A 93 -5.886 23.062 21.827 1.00 0.00 C ATOM 1400 C PRO A 93 -6.297 22.789 20.384 1.00 0.00 C ATOM 1401 O PRO A 93 -6.001 23.577 19.485 1.00 0.00 O ATOM 1402 CB PRO A 93 -5.948 24.562 22.126 1.00 0.00 C ATOM 1403 CG PRO A 93 -4.559 25.052 21.902 1.00 0.00 C ATOM 1404 CD PRO A 93 -3.652 23.920 22.301 1.00 0.00 C ATOM 0 HA PRO A 93 -6.566 22.464 22.434 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.656 25.067 21.470 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.273 24.748 23.150 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.405 25.326 20.858 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.358 25.942 22.498 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.746 23.898 21.695 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.338 24.004 23.341 1.00 0.00 H new ATOM 1412 N SER A 94 -6.980 21.670 20.170 1.00 0.00 N ATOM 1413 CA SER A 94 -7.429 21.291 18.835 1.00 0.00 C ATOM 1414 C SER A 94 -8.950 21.354 18.735 1.00 0.00 C ATOM 1415 O SER A 94 -9.662 20.854 19.606 1.00 0.00 O ATOM 1416 CB SER A 94 -6.942 19.883 18.490 1.00 0.00 C ATOM 1417 OG SER A 94 -6.951 19.669 17.089 1.00 0.00 O ATOM 0 H SER A 94 -7.235 21.009 20.904 1.00 0.00 H new ATOM 0 HA SER A 94 -7.006 21.999 18.122 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.933 19.739 18.877 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.579 19.145 18.978 1.00 0.00 H new ATOM 0 HG SER A 94 -6.634 18.762 16.895 1.00 0.00 H new ATOM 1423 N SER A 95 -9.442 21.973 17.666 1.00 0.00 N ATOM 1424 CA SER A 95 -10.878 22.106 17.453 1.00 0.00 C ATOM 1425 C SER A 95 -11.476 20.796 16.947 1.00 0.00 C ATOM 1426 O SER A 95 -12.349 20.211 17.587 1.00 0.00 O ATOM 1427 CB SER A 95 -11.165 23.230 16.456 1.00 0.00 C ATOM 1428 OG SER A 95 -10.461 23.028 15.243 1.00 0.00 O ATOM 0 H SER A 95 -8.867 22.390 16.934 1.00 0.00 H new ATOM 0 HA SER A 95 -11.341 22.351 18.409 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.235 23.278 16.255 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.879 24.188 16.891 1.00 0.00 H new ATOM 0 HG SER A 95 -10.663 23.759 14.622 1.00 0.00 H new ATOM 1434 N GLY A 96 -10.997 20.342 15.793 1.00 0.00 N ATOM 1435 CA GLY A 96 -11.495 19.105 15.219 1.00 0.00 C ATOM 1436 C GLY A 96 -10.381 18.214 14.708 1.00 0.00 C ATOM 1437 O GLY A 96 -9.563 17.723 15.487 1.00 0.00 O ATOM 0 H GLY A 96 -10.274 20.808 15.245 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -12.072 18.566 15.970 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.176 19.336 14.400 1.00 0.00 H new TER 1441 GLY A 96