USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 47 LYS NZ :NH3+ 173:sc= -0.0457 (180deg=-0.413) USER MOD Set 1.2: A 51 SER OG : rot -101:sc= 1.58 USER MOD Set 2.1: A 32 SER OG : rot -78:sc= 1.17 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.241 X(o=0.93,f=1.1) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.0355 K(o=-0.059,f=-2.9!) USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= -0.0234 USER MOD Set 4.1: A 2 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 6 SER OG : rot 54:sc= 2.04 USER MOD Set 4.3: A 9 LYS NZ :NH3+ 150:sc= 1.5 (180deg=-0.485!) USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.506 K(o=0.51,f=-6.1!) USER MOD Single : A 13 LYS NZ :NH3+ -107:sc= 0.739 (180deg=-2.57!) USER MOD Single : A 17 MET CE :methyl -152:sc= -0.0139 (180deg=-0.483) USER MOD Single : A 21 GLN : amide:sc= 0.204 K(o=0.2,f=-1.9!) USER MOD Single : A 28 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 29 GLN : amide:sc= 1.16 K(o=1.2,f=-0.007) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 1.43 (180deg=1.26) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00336) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.757) USER MOD Single : A 49 MET CE :methyl -172:sc= 0 (180deg=-0.0489) USER MOD Single : A 57 SER OG : rot -142:sc= 1.29 USER MOD Single : A 62 THR OG1 : rot -74:sc= 1.25 USER MOD Single : A 64 LYS NZ :NH3+ -112:sc= 2.34 (180deg=-0.207) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 2.18 (180deg=2.14) USER MOD Single : A 67 GLN : amide:sc= 0.666 K(o=0.67,f=-5.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.067 -2.093 6.804 1.00 0.00 N ATOM 11 CA TYR A 2 -13.806 -2.106 7.580 1.00 0.00 C ATOM 12 C TYR A 2 -12.594 -1.972 6.654 1.00 0.00 C ATOM 13 O TYR A 2 -11.628 -1.276 6.959 1.00 0.00 O ATOM 14 CB TYR A 2 -13.710 -3.415 8.389 1.00 0.00 C ATOM 15 CG TYR A 2 -12.380 -3.688 9.087 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.031 -2.974 10.249 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.509 -4.693 8.612 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.843 -3.271 10.945 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.316 -4.994 9.302 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.982 -4.296 10.485 1.00 0.00 C ATOM 21 OH TYR A 2 -8.856 -4.617 11.181 1.00 0.00 O ATOM 0 HA TYR A 2 -13.808 -1.256 8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.496 -3.408 9.144 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.920 -4.247 7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.681 -2.191 10.610 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.758 -5.236 7.712 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.588 -2.714 11.834 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.655 -5.761 8.925 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.384 -5.343 10.722 1.00 0.00 H new ATOM 31 N PHE A 3 -12.702 -2.595 5.479 1.00 0.00 N ATOM 32 CA PHE A 3 -11.748 -2.505 4.399 1.00 0.00 C ATOM 33 C PHE A 3 -11.245 -1.089 4.127 1.00 0.00 C ATOM 34 O PHE A 3 -10.056 -0.971 3.870 1.00 0.00 O ATOM 35 CB PHE A 3 -12.374 -3.086 3.132 1.00 0.00 C ATOM 36 CG PHE A 3 -12.328 -4.592 3.036 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.096 -5.215 2.758 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.497 -5.366 3.158 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.029 -6.607 2.602 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.426 -6.762 3.006 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.195 -7.378 2.725 1.00 0.00 C ATOM 0 H PHE A 3 -13.494 -3.198 5.256 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.873 -3.078 4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.414 -2.764 3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.864 -2.665 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.200 -4.619 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.444 -4.890 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.084 -7.084 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.319 -7.361 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.146 -8.450 2.603 1.00 0.00 H new ATOM 51 N CYS A 4 -12.077 -0.039 4.174 1.00 0.00 N ATOM 52 CA CYS A 4 -11.616 1.316 3.883 1.00 0.00 C ATOM 53 C CYS A 4 -10.530 1.747 4.866 1.00 0.00 C ATOM 54 O CYS A 4 -9.458 2.175 4.447 1.00 0.00 O ATOM 55 CB CYS A 4 -12.761 2.337 3.912 1.00 0.00 C ATOM 56 SG CYS A 4 -12.256 3.886 3.115 1.00 0.00 S ATOM 0 H CYS A 4 -13.067 -0.106 4.410 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.205 1.293 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.633 1.927 3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.056 2.532 4.943 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.241 4.733 3.150 1.00 0.00 H new ATOM 61 N GLU A 5 -10.818 1.629 6.165 1.00 0.00 N ATOM 62 CA GLU A 5 -9.921 1.999 7.251 1.00 0.00 C ATOM 63 C GLU A 5 -8.622 1.224 7.079 1.00 0.00 C ATOM 64 O GLU A 5 -7.560 1.822 6.922 1.00 0.00 O ATOM 65 CB GLU A 5 -10.629 1.714 8.593 1.00 0.00 C ATOM 66 CG GLU A 5 -9.779 1.944 9.855 1.00 0.00 C ATOM 67 CD GLU A 5 -8.686 0.889 10.077 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.943 -0.336 10.000 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.515 1.261 10.293 1.00 0.00 O ATOM 0 H GLU A 5 -11.711 1.262 6.495 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.673 3.060 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.517 2.343 8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.971 0.679 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.312 2.927 9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.436 1.959 10.725 1.00 0.00 H new ATOM 76 N SER A 6 -8.704 -0.107 7.065 1.00 0.00 N ATOM 77 CA SER A 6 -7.511 -0.926 7.031 1.00 0.00 C ATOM 78 C SER A 6 -6.732 -0.738 5.729 1.00 0.00 C ATOM 79 O SER A 6 -5.509 -0.689 5.785 1.00 0.00 O ATOM 80 CB SER A 6 -7.858 -2.370 7.376 1.00 0.00 C ATOM 81 OG SER A 6 -7.983 -2.460 8.785 1.00 0.00 O ATOM 0 H SER A 6 -9.580 -0.629 7.077 1.00 0.00 H new ATOM 0 HA SER A 6 -6.816 -0.595 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.788 -2.666 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.082 -3.046 7.017 1.00 0.00 H new ATOM 0 HG SER A 6 -8.619 -1.785 9.101 1.00 0.00 H new ATOM 87 N CYS A 7 -7.392 -0.599 4.576 1.00 0.00 N ATOM 88 CA CYS A 7 -6.747 -0.284 3.304 1.00 0.00 C ATOM 89 C CYS A 7 -5.980 1.033 3.439 1.00 0.00 C ATOM 90 O CYS A 7 -4.798 1.090 3.094 1.00 0.00 O ATOM 91 CB CYS A 7 -7.802 -0.193 2.196 1.00 0.00 C ATOM 92 SG CYS A 7 -7.231 0.465 0.612 1.00 0.00 S ATOM 0 H CYS A 7 -8.404 -0.704 4.502 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.043 -1.073 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.210 -1.190 2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.622 0.431 2.552 1.00 0.00 H new ATOM 97 N ARG A 8 -6.631 2.079 3.969 1.00 0.00 N ATOM 98 CA ARG A 8 -6.000 3.375 4.169 1.00 0.00 C ATOM 99 C ARG A 8 -4.771 3.185 5.048 1.00 0.00 C ATOM 100 O ARG A 8 -3.686 3.563 4.634 1.00 0.00 O ATOM 101 CB ARG A 8 -6.991 4.405 4.753 1.00 0.00 C ATOM 102 CG ARG A 8 -6.370 5.812 4.813 1.00 0.00 C ATOM 103 CD ARG A 8 -7.056 6.743 5.818 1.00 0.00 C ATOM 104 NE ARG A 8 -6.235 7.955 6.023 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.623 9.193 6.349 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.903 9.557 6.338 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.680 10.069 6.683 1.00 0.00 N ATOM 0 H ARG A 8 -7.606 2.042 4.267 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.685 3.784 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.894 4.430 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.292 4.096 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.315 5.724 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.417 6.263 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.045 7.021 5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.200 6.226 6.767 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.230 7.830 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.623 8.883 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.165 10.510 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.700 9.787 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.937 11.023 6.938 1.00 0.00 H new ATOM 121 N LYS A 9 -4.927 2.603 6.236 1.00 0.00 N ATOM 122 CA LYS A 9 -3.869 2.348 7.212 1.00 0.00 C ATOM 123 C LYS A 9 -2.694 1.598 6.583 1.00 0.00 C ATOM 124 O LYS A 9 -1.545 1.946 6.851 1.00 0.00 O ATOM 125 CB LYS A 9 -4.517 1.576 8.373 1.00 0.00 C ATOM 126 CG LYS A 9 -3.555 1.052 9.453 1.00 0.00 C ATOM 127 CD LYS A 9 -4.332 0.382 10.601 1.00 0.00 C ATOM 128 CE LYS A 9 -5.032 -0.914 10.149 1.00 0.00 C ATOM 129 NZ LYS A 9 -6.339 -1.121 10.809 1.00 0.00 N ATOM 0 H LYS A 9 -5.839 2.281 6.560 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.440 3.280 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.250 2.226 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.064 0.729 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.861 0.337 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.958 1.875 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.647 0.157 11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.075 1.078 10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.176 -0.886 9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.384 -1.764 10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.970 -1.649 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.203 -1.661 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.765 -0.199 11.032 1.00 0.00 H new ATOM 143 N ILE A 10 -2.980 0.579 5.770 1.00 0.00 N ATOM 144 CA ILE A 10 -1.991 -0.233 5.076 1.00 0.00 C ATOM 145 C ILE A 10 -1.134 0.676 4.201 1.00 0.00 C ATOM 146 O ILE A 10 0.079 0.708 4.407 1.00 0.00 O ATOM 147 CB ILE A 10 -2.691 -1.407 4.342 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.018 -2.510 5.373 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.827 -2.004 3.222 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.059 -3.534 4.890 1.00 0.00 C ATOM 0 H ILE A 10 -3.939 0.291 5.573 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.301 -0.715 5.768 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.597 -1.016 3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.099 -3.036 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.383 -2.041 6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.366 -2.821 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.605 -1.233 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.895 -2.382 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.232 -4.274 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.994 -3.022 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.690 -4.033 3.994 1.00 0.00 H new ATOM 162 N ILE A 11 -1.725 1.412 3.253 1.00 0.00 N ATOM 163 CA ILE A 11 -0.920 2.313 2.445 1.00 0.00 C ATOM 164 C ILE A 11 -0.306 3.420 3.314 1.00 0.00 C ATOM 165 O ILE A 11 0.837 3.740 3.058 1.00 0.00 O ATOM 166 CB ILE A 11 -1.645 2.825 1.181 1.00 0.00 C ATOM 167 CG1 ILE A 11 -1.785 1.732 0.093 1.00 0.00 C ATOM 168 CG2 ILE A 11 -0.825 3.992 0.586 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.042 0.867 0.217 1.00 0.00 C ATOM 0 H ILE A 11 -2.722 1.400 3.037 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.089 1.736 2.040 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.647 3.136 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.784 2.211 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.909 1.085 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.322 4.367 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.747 4.793 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.173 3.640 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.057 0.130 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.038 0.356 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.927 1.499 0.145 1.00 0.00 H new ATOM 181 N GLN A 12 -0.968 4.006 4.315 1.00 0.00 N ATOM 182 CA GLN A 12 -0.390 5.131 5.066 1.00 0.00 C ATOM 183 C GLN A 12 0.999 4.794 5.616 1.00 0.00 C ATOM 184 O GLN A 12 1.916 5.585 5.436 1.00 0.00 O ATOM 185 CB GLN A 12 -1.300 5.591 6.217 1.00 0.00 C ATOM 186 CG GLN A 12 -2.583 6.298 5.764 1.00 0.00 C ATOM 187 CD GLN A 12 -2.491 7.823 5.635 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.367 8.512 6.160 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.541 8.390 4.904 1.00 0.00 N ATOM 0 H GLN A 12 -1.898 3.725 4.625 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.297 5.950 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.570 4.724 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.737 6.265 6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.881 5.887 4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.377 6.059 6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.818 7.814 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.533 9.402 4.774 1.00 0.00 H new ATOM 198 N LYS A 13 1.185 3.637 6.267 1.00 0.00 N ATOM 199 CA LYS A 13 2.523 3.249 6.727 1.00 0.00 C ATOM 200 C LYS A 13 3.438 2.875 5.550 1.00 0.00 C ATOM 201 O LYS A 13 4.651 2.975 5.682 1.00 0.00 O ATOM 202 CB LYS A 13 2.433 2.192 7.838 1.00 0.00 C ATOM 203 CG LYS A 13 3.768 1.807 8.513 1.00 0.00 C ATOM 204 CD LYS A 13 4.717 2.945 8.939 1.00 0.00 C ATOM 205 CE LYS A 13 4.123 3.989 9.888 1.00 0.00 C ATOM 206 NZ LYS A 13 5.129 5.014 10.253 1.00 0.00 N ATOM 0 H LYS A 13 0.445 2.969 6.482 1.00 0.00 H new ATOM 0 HA LYS A 13 3.008 4.110 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.752 2.558 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.986 1.290 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.536 1.216 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.313 1.156 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.592 2.503 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.068 3.455 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.266 4.469 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.756 3.498 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.432 4.868 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.951 4.934 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.710 5.961 10.157 1.00 0.00 H new ATOM 220 N LEU A 14 2.901 2.381 4.433 1.00 0.00 N ATOM 221 CA LEU A 14 3.694 2.104 3.231 1.00 0.00 C ATOM 222 C LEU A 14 4.300 3.423 2.729 1.00 0.00 C ATOM 223 O LEU A 14 5.505 3.522 2.560 1.00 0.00 O ATOM 224 CB LEU A 14 2.791 1.474 2.153 1.00 0.00 C ATOM 225 CG LEU A 14 3.488 0.662 1.053 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.416 0.370 -0.004 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.727 1.290 0.420 1.00 0.00 C ATOM 0 H LEU A 14 1.910 2.162 4.335 1.00 0.00 H new ATOM 0 HA LEU A 14 4.497 1.403 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.071 0.824 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.223 2.273 1.677 1.00 0.00 H new ATOM 0 HG LEU A 14 3.897 -0.236 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.855 -0.209 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.604 -0.199 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.027 1.309 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.126 0.620 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.458 2.241 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.482 1.458 1.188 1.00 0.00 H new ATOM 239 N GLU A 15 3.441 4.413 2.503 1.00 0.00 N ATOM 240 CA GLU A 15 3.653 5.754 1.975 1.00 0.00 C ATOM 241 C GLU A 15 4.685 6.483 2.840 1.00 0.00 C ATOM 242 O GLU A 15 5.681 6.984 2.332 1.00 0.00 O ATOM 243 CB GLU A 15 2.243 6.399 1.968 1.00 0.00 C ATOM 244 CG GLU A 15 2.035 7.765 1.299 1.00 0.00 C ATOM 245 CD GLU A 15 0.586 8.293 1.461 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.113 7.930 2.443 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.145 9.084 0.585 1.00 0.00 O ATOM 0 H GLU A 15 2.453 4.273 2.714 1.00 0.00 H new ATOM 0 HA GLU A 15 4.069 5.785 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.565 5.694 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.922 6.492 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.731 8.486 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.273 7.686 0.238 1.00 0.00 H new ATOM 254 N ASP A 16 4.474 6.467 4.155 1.00 0.00 N ATOM 255 CA ASP A 16 5.372 6.982 5.190 1.00 0.00 C ATOM 256 C ASP A 16 6.771 6.371 5.126 1.00 0.00 C ATOM 257 O ASP A 16 7.747 7.104 5.255 1.00 0.00 O ATOM 258 CB ASP A 16 4.675 6.691 6.529 1.00 0.00 C ATOM 259 CG ASP A 16 5.521 6.654 7.801 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.318 5.699 7.954 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.088 7.250 8.815 1.00 0.00 O ATOM 0 H ASP A 16 3.621 6.071 4.551 1.00 0.00 H new ATOM 0 HA ASP A 16 5.544 8.049 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.899 7.444 6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.172 5.728 6.438 1.00 0.00 H new ATOM 266 N MET A 17 6.883 5.056 4.917 1.00 0.00 N ATOM 267 CA MET A 17 8.179 4.388 4.887 1.00 0.00 C ATOM 268 C MET A 17 8.876 4.560 3.545 1.00 0.00 C ATOM 269 O MET A 17 10.086 4.763 3.538 1.00 0.00 O ATOM 270 CB MET A 17 8.078 2.907 5.267 1.00 0.00 C ATOM 271 CG MET A 17 7.792 2.770 6.767 1.00 0.00 C ATOM 272 SD MET A 17 7.911 1.101 7.487 1.00 0.00 S ATOM 273 CE MET A 17 6.966 0.134 6.286 1.00 0.00 C ATOM 0 H MET A 17 6.088 4.435 4.766 1.00 0.00 H new ATOM 0 HA MET A 17 8.792 4.876 5.644 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.285 2.429 4.692 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.007 2.395 5.017 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.483 3.420 7.304 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.787 3.149 6.956 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.527 -0.732 6.781 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.173 0.752 5.864 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.628 -0.202 5.488 1.00 0.00 H new ATOM 283 N VAL A 18 8.183 4.318 2.425 1.00 0.00 N ATOM 284 CA VAL A 18 8.799 4.442 1.108 1.00 0.00 C ATOM 285 C VAL A 18 9.261 5.896 0.901 1.00 0.00 C ATOM 286 O VAL A 18 10.278 6.125 0.253 1.00 0.00 O ATOM 287 CB VAL A 18 7.853 3.920 0.006 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.782 4.913 -0.453 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.627 3.339 -1.176 1.00 0.00 C ATOM 0 H VAL A 18 7.202 4.037 2.409 1.00 0.00 H new ATOM 0 HA VAL A 18 9.687 3.813 1.043 1.00 0.00 H new ATOM 0 HB VAL A 18 7.295 3.114 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.168 4.454 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.153 5.186 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.262 5.807 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.926 2.982 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.264 4.111 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.245 2.509 -0.834 1.00 0.00 H new ATOM 299 N GLY A 19 8.525 6.859 1.473 1.00 0.00 N ATOM 300 CA GLY A 19 8.873 8.265 1.483 1.00 0.00 C ATOM 301 C GLY A 19 8.541 8.940 0.147 1.00 0.00 C ATOM 302 O GLY A 19 7.762 8.406 -0.651 1.00 0.00 O ATOM 0 H GLY A 19 7.647 6.663 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.336 8.767 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.937 8.375 1.692 1.00 0.00 H new ATOM 306 N PRO A 20 9.046 10.166 -0.080 1.00 0.00 N ATOM 307 CA PRO A 20 8.870 10.868 -1.332 1.00 0.00 C ATOM 308 C PRO A 20 9.736 10.227 -2.416 1.00 0.00 C ATOM 309 O PRO A 20 10.660 9.464 -2.153 1.00 0.00 O ATOM 310 CB PRO A 20 9.292 12.312 -1.046 1.00 0.00 C ATOM 311 CG PRO A 20 10.415 12.127 -0.030 1.00 0.00 C ATOM 312 CD PRO A 20 9.951 10.912 0.773 1.00 0.00 C ATOM 0 HA PRO A 20 7.844 10.827 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.638 12.821 -1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.471 12.903 -0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.374 11.948 -0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.537 13.007 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.801 10.296 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.450 11.223 1.690 1.00 0.00 H new ATOM 320 N GLN A 21 9.420 10.619 -3.643 1.00 0.00 N ATOM 321 CA GLN A 21 9.953 10.153 -4.923 1.00 0.00 C ATOM 322 C GLN A 21 10.408 8.675 -4.901 1.00 0.00 C ATOM 323 O GLN A 21 11.566 8.385 -5.208 1.00 0.00 O ATOM 324 CB GLN A 21 11.060 11.119 -5.400 1.00 0.00 C ATOM 325 CG GLN A 21 10.676 12.611 -5.357 1.00 0.00 C ATOM 326 CD GLN A 21 9.275 12.883 -5.900 1.00 0.00 C ATOM 327 OE1 GLN A 21 8.309 12.935 -5.146 1.00 0.00 O ATOM 328 NE2 GLN A 21 9.120 13.025 -7.207 1.00 0.00 N ATOM 0 H GLN A 21 8.715 11.342 -3.784 1.00 0.00 H new ATOM 0 HA GLN A 21 9.142 10.168 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.946 10.968 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.335 10.858 -6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.736 12.966 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.401 13.184 -5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.931 12.980 -7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.190 13.179 -7.596 1.00 0.00 H new ATOM 337 N PRO A 22 9.509 7.722 -4.587 1.00 0.00 N ATOM 338 CA PRO A 22 9.853 6.307 -4.581 1.00 0.00 C ATOM 339 C PRO A 22 9.921 5.774 -6.023 1.00 0.00 C ATOM 340 O PRO A 22 9.584 6.470 -6.983 1.00 0.00 O ATOM 341 CB PRO A 22 8.725 5.660 -3.784 1.00 0.00 C ATOM 342 CG PRO A 22 7.519 6.491 -4.189 1.00 0.00 C ATOM 343 CD PRO A 22 8.096 7.898 -4.282 1.00 0.00 C ATOM 0 HA PRO A 22 10.829 6.096 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.598 4.608 -4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.908 5.706 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.101 6.161 -5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.719 6.430 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.596 8.476 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.962 8.440 -3.346 1.00 0.00 H new ATOM 351 N ASN A 23 10.255 4.492 -6.183 1.00 0.00 N ATOM 352 CA ASN A 23 10.243 3.787 -7.463 1.00 0.00 C ATOM 353 C ASN A 23 9.681 2.383 -7.236 1.00 0.00 C ATOM 354 O ASN A 23 9.631 1.919 -6.098 1.00 0.00 O ATOM 355 CB ASN A 23 11.643 3.734 -8.094 1.00 0.00 C ATOM 356 CG ASN A 23 12.541 2.767 -7.341 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.436 1.560 -7.519 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.377 3.274 -6.455 1.00 0.00 N ATOM 0 H ASN A 23 10.549 3.902 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 23 9.610 4.327 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.565 3.427 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.087 4.729 -8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.961 2.655 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.439 4.285 -6.332 1.00 0.00 H new ATOM 365 N GLU A 24 9.226 1.743 -8.315 1.00 0.00 N ATOM 366 CA GLU A 24 8.569 0.436 -8.372 1.00 0.00 C ATOM 367 C GLU A 24 9.196 -0.640 -7.465 1.00 0.00 C ATOM 368 O GLU A 24 8.453 -1.369 -6.798 1.00 0.00 O ATOM 369 CB GLU A 24 8.563 0.007 -9.851 1.00 0.00 C ATOM 370 CG GLU A 24 7.808 -1.293 -10.174 1.00 0.00 C ATOM 371 CD GLU A 24 6.349 -1.046 -10.565 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.082 -0.876 -11.778 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.463 -1.064 -9.683 1.00 0.00 O ATOM 0 H GLU A 24 9.314 2.157 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 24 7.558 0.536 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.126 0.813 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.596 -0.105 -10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.316 -1.811 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.841 -1.953 -9.307 1.00 0.00 H new ATOM 380 N ASP A 25 10.531 -0.727 -7.386 1.00 0.00 N ATOM 381 CA ASP A 25 11.194 -1.682 -6.492 1.00 0.00 C ATOM 382 C ASP A 25 10.946 -1.272 -5.055 1.00 0.00 C ATOM 383 O ASP A 25 10.437 -2.060 -4.263 1.00 0.00 O ATOM 384 CB ASP A 25 12.710 -1.784 -6.703 1.00 0.00 C ATOM 385 CG ASP A 25 13.308 -2.589 -5.539 1.00 0.00 C ATOM 386 OD1 ASP A 25 13.176 -3.830 -5.565 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.793 -1.945 -4.577 1.00 0.00 O ATOM 0 H ASP A 25 11.171 -0.148 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 25 10.769 -2.659 -6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.929 -2.271 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.155 -0.790 -6.745 1.00 0.00 H new ATOM 392 N THR A 26 11.269 -0.025 -4.722 1.00 0.00 N ATOM 393 CA THR A 26 11.199 0.457 -3.358 1.00 0.00 C ATOM 394 C THR A 26 9.758 0.313 -2.850 1.00 0.00 C ATOM 395 O THR A 26 9.567 -0.050 -1.691 1.00 0.00 O ATOM 396 CB THR A 26 11.780 1.877 -3.297 1.00 0.00 C ATOM 397 OG1 THR A 26 13.027 1.871 -3.977 1.00 0.00 O ATOM 398 CG2 THR A 26 12.108 2.308 -1.865 1.00 0.00 C ATOM 0 H THR A 26 11.585 0.674 -5.394 1.00 0.00 H new ATOM 0 HA THR A 26 11.809 -0.137 -2.678 1.00 0.00 H new ATOM 0 HB THR A 26 11.039 2.549 -3.730 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.417 2.770 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.516 3.319 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.200 2.288 -1.262 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.842 1.624 -1.438 1.00 0.00 H new ATOM 406 N VAL A 27 8.737 0.499 -3.699 1.00 0.00 N ATOM 407 CA VAL A 27 7.357 0.237 -3.298 1.00 0.00 C ATOM 408 C VAL A 27 7.183 -1.269 -3.061 1.00 0.00 C ATOM 409 O VAL A 27 6.588 -1.655 -2.058 1.00 0.00 O ATOM 410 CB VAL A 27 6.317 0.746 -4.320 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.918 0.660 -3.682 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.539 2.199 -4.758 1.00 0.00 C ATOM 0 H VAL A 27 8.844 0.827 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 27 7.171 0.793 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 27 6.418 0.117 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.172 1.016 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.702 -0.375 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.889 1.278 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.770 2.484 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.484 2.854 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.521 2.293 -5.222 1.00 0.00 H new ATOM 422 N THR A 28 7.673 -2.128 -3.955 1.00 0.00 N ATOM 423 CA THR A 28 7.575 -3.578 -3.847 1.00 0.00 C ATOM 424 C THR A 28 8.177 -4.082 -2.527 1.00 0.00 C ATOM 425 O THR A 28 7.503 -4.841 -1.815 1.00 0.00 O ATOM 426 CB THR A 28 8.189 -4.219 -5.108 1.00 0.00 C ATOM 427 OG1 THR A 28 7.406 -3.827 -6.220 1.00 0.00 O ATOM 428 CG2 THR A 28 8.229 -5.751 -5.066 1.00 0.00 C ATOM 0 H THR A 28 8.162 -1.823 -4.796 1.00 0.00 H new ATOM 0 HA THR A 28 6.530 -3.884 -3.808 1.00 0.00 H new ATOM 0 HB THR A 28 9.222 -3.877 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.762 -2.994 -6.594 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.674 -6.129 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.827 -6.076 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.215 -6.139 -4.967 1.00 0.00 H new ATOM 436 N GLN A 29 9.381 -3.646 -2.146 1.00 0.00 N ATOM 437 CA GLN A 29 9.968 -4.031 -0.866 1.00 0.00 C ATOM 438 C GLN A 29 9.171 -3.381 0.271 1.00 0.00 C ATOM 439 O GLN A 29 8.587 -4.097 1.090 1.00 0.00 O ATOM 440 CB GLN A 29 11.489 -3.776 -0.803 1.00 0.00 C ATOM 441 CG GLN A 29 11.999 -2.399 -1.239 1.00 0.00 C ATOM 442 CD GLN A 29 13.471 -2.205 -0.885 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.816 -2.110 0.288 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.356 -2.117 -1.864 1.00 0.00 N ATOM 0 H GLN A 29 9.965 -3.027 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 29 9.888 -5.111 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.815 -3.945 0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.981 -4.527 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.865 -2.285 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.404 -1.622 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.053 -2.198 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.342 -1.968 -1.648 1.00 0.00 H new ATOM 453 N ALA A 30 9.024 -2.050 0.282 1.00 0.00 N ATOM 454 CA ALA A 30 8.375 -1.322 1.366 1.00 0.00 C ATOM 455 C ALA A 30 6.974 -1.853 1.640 1.00 0.00 C ATOM 456 O ALA A 30 6.597 -1.891 2.802 1.00 0.00 O ATOM 457 CB ALA A 30 8.331 0.182 1.079 1.00 0.00 C ATOM 0 H ALA A 30 9.357 -1.448 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 30 8.975 -1.482 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.841 0.696 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.347 0.561 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.774 0.361 0.160 1.00 0.00 H new ATOM 463 N ALA A 31 6.221 -2.291 0.625 1.00 0.00 N ATOM 464 CA ALA A 31 4.888 -2.882 0.724 1.00 0.00 C ATOM 465 C ALA A 31 4.917 -4.361 1.108 1.00 0.00 C ATOM 466 O ALA A 31 4.148 -4.782 1.972 1.00 0.00 O ATOM 467 CB ALA A 31 4.153 -2.748 -0.613 1.00 0.00 C ATOM 0 H ALA A 31 6.546 -2.238 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 31 4.371 -2.337 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.161 -3.191 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.058 -1.693 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.716 -3.264 -1.391 1.00 0.00 H new ATOM 473 N SER A 32 5.727 -5.203 0.461 1.00 0.00 N ATOM 474 CA SER A 32 5.795 -6.608 0.873 1.00 0.00 C ATOM 475 C SER A 32 6.201 -6.706 2.353 1.00 0.00 C ATOM 476 O SER A 32 5.754 -7.627 3.057 1.00 0.00 O ATOM 477 CB SER A 32 6.669 -7.432 -0.080 1.00 0.00 C ATOM 478 OG SER A 32 7.989 -6.958 -0.145 1.00 0.00 O ATOM 0 H SER A 32 6.326 -4.949 -0.324 1.00 0.00 H new ATOM 0 HA SER A 32 4.805 -7.057 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.676 -8.472 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.230 -7.414 -1.078 1.00 0.00 H new ATOM 0 HG SER A 32 8.025 -6.168 -0.723 1.00 0.00 H new ATOM 484 N GLN A 33 6.960 -5.713 2.836 1.00 0.00 N ATOM 485 CA GLN A 33 7.340 -5.542 4.222 1.00 0.00 C ATOM 486 C GLN A 33 6.286 -4.712 4.961 1.00 0.00 C ATOM 487 O GLN A 33 6.136 -4.966 6.149 1.00 0.00 O ATOM 488 CB GLN A 33 8.733 -4.894 4.354 1.00 0.00 C ATOM 489 CG GLN A 33 9.911 -5.870 4.172 1.00 0.00 C ATOM 490 CD GLN A 33 10.032 -6.442 2.761 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.758 -5.927 1.929 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.316 -7.515 2.458 1.00 0.00 N ATOM 0 H GLN A 33 7.337 -4.981 2.234 1.00 0.00 H new ATOM 0 HA GLN A 33 7.395 -6.530 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.821 -4.097 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.812 -4.428 5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.838 -5.356 4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.800 -6.693 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.711 -7.940 3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.370 -7.916 1.522 1.00 0.00 H new ATOM 501 N VAL A 34 5.509 -3.806 4.334 1.00 0.00 N ATOM 502 CA VAL A 34 4.534 -2.957 5.043 1.00 0.00 C ATOM 503 C VAL A 34 3.597 -3.918 5.766 1.00 0.00 C ATOM 504 O VAL A 34 3.355 -3.831 6.968 1.00 0.00 O ATOM 505 CB VAL A 34 3.715 -1.963 4.168 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.463 -2.419 3.395 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.274 -0.804 5.035 1.00 0.00 C ATOM 0 H VAL A 34 5.540 -3.644 3.327 1.00 0.00 H new ATOM 0 HA VAL A 34 5.092 -2.296 5.705 1.00 0.00 H new ATOM 0 HB VAL A 34 4.436 -1.753 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.043 -1.573 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.736 -3.204 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.722 -2.803 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.699 -0.099 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.655 -1.175 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.150 -0.302 5.444 1.00 0.00 H new ATOM 517 N CYS A 35 3.174 -4.936 5.020 1.00 0.00 N ATOM 518 CA CYS A 35 2.252 -5.929 5.482 1.00 0.00 C ATOM 519 C CYS A 35 2.924 -6.768 6.542 1.00 0.00 C ATOM 520 O CYS A 35 2.319 -7.060 7.566 1.00 0.00 O ATOM 521 CB CYS A 35 1.917 -6.838 4.296 1.00 0.00 C ATOM 522 SG CYS A 35 1.235 -6.032 2.841 1.00 0.00 S ATOM 0 H CYS A 35 3.479 -5.082 4.058 1.00 0.00 H new ATOM 0 HA CYS A 35 1.356 -5.460 5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.825 -7.364 4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.207 -7.593 4.634 1.00 0.00 H new ATOM 527 N ASP A 36 4.099 -7.300 6.212 1.00 0.00 N ATOM 528 CA ASP A 36 4.824 -8.188 7.095 1.00 0.00 C ATOM 529 C ASP A 36 4.997 -7.558 8.500 1.00 0.00 C ATOM 530 O ASP A 36 4.728 -8.187 9.525 1.00 0.00 O ATOM 531 CB ASP A 36 6.142 -8.581 6.434 1.00 0.00 C ATOM 532 CG ASP A 36 6.590 -9.881 7.070 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.031 -10.884 6.557 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.337 -9.887 8.065 1.00 0.00 O ATOM 0 H ASP A 36 4.568 -7.123 5.324 1.00 0.00 H new ATOM 0 HA ASP A 36 4.255 -9.103 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.012 -8.703 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.892 -7.803 6.578 1.00 0.00 H new ATOM 539 N LYS A 37 5.339 -6.263 8.529 1.00 0.00 N ATOM 540 CA LYS A 37 5.699 -5.447 9.691 1.00 0.00 C ATOM 541 C LYS A 37 4.479 -5.112 10.549 1.00 0.00 C ATOM 542 O LYS A 37 4.550 -5.255 11.772 1.00 0.00 O ATOM 543 CB LYS A 37 6.400 -4.192 9.120 1.00 0.00 C ATOM 544 CG LYS A 37 7.278 -3.336 10.044 1.00 0.00 C ATOM 545 CD LYS A 37 7.925 -2.200 9.213 1.00 0.00 C ATOM 546 CE LYS A 37 9.245 -1.697 9.821 1.00 0.00 C ATOM 547 NZ LYS A 37 9.946 -0.699 8.972 1.00 0.00 N ATOM 0 H LYS A 37 5.373 -5.717 7.668 1.00 0.00 H new ATOM 0 HA LYS A 37 6.365 -5.981 10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.021 -4.515 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.627 -3.543 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.678 -2.917 10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.050 -3.951 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.109 -2.557 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.225 -1.368 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.041 -1.254 10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.906 -2.547 9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.710 -0.253 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.348 -1.174 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.271 0.029 8.663 1.00 0.00 H new ATOM 561 N LEU A 38 3.348 -4.702 9.963 1.00 0.00 N ATOM 562 CA LEU A 38 2.124 -4.499 10.722 1.00 0.00 C ATOM 563 C LEU A 38 1.554 -5.868 11.090 1.00 0.00 C ATOM 564 O LEU A 38 0.820 -6.480 10.315 1.00 0.00 O ATOM 565 CB LEU A 38 1.097 -3.670 9.923 1.00 0.00 C ATOM 566 CG LEU A 38 1.435 -2.167 9.935 1.00 0.00 C ATOM 567 CD1 LEU A 38 2.179 -1.695 8.693 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.171 -1.306 10.083 1.00 0.00 C ATOM 0 H LEU A 38 3.262 -4.506 8.966 1.00 0.00 H new ATOM 0 HA LEU A 38 2.347 -3.934 11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.065 -4.026 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.103 -3.822 10.343 1.00 0.00 H new ATOM 0 HG LEU A 38 2.091 -2.042 10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.382 -0.627 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.120 -2.237 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.568 -1.882 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.447 -0.252 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.502 -1.501 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.330 -1.554 11.019 1.00 0.00 H new ATOM 580 N LYS A 39 1.812 -6.328 12.320 1.00 0.00 N ATOM 581 CA LYS A 39 1.347 -7.648 12.748 1.00 0.00 C ATOM 582 C LYS A 39 -0.144 -7.538 13.081 1.00 0.00 C ATOM 583 O LYS A 39 -0.664 -6.431 13.215 1.00 0.00 O ATOM 584 CB LYS A 39 2.204 -8.226 13.896 1.00 0.00 C ATOM 585 CG LYS A 39 2.197 -7.500 15.259 1.00 0.00 C ATOM 586 CD LYS A 39 3.142 -6.287 15.342 1.00 0.00 C ATOM 587 CE LYS A 39 3.296 -5.747 16.777 1.00 0.00 C ATOM 588 NZ LYS A 39 4.082 -6.636 17.670 1.00 0.00 N ATOM 0 H LYS A 39 2.334 -5.811 13.028 1.00 0.00 H new ATOM 0 HA LYS A 39 1.469 -8.371 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.881 -9.253 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.236 -8.270 13.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.181 -7.168 15.474 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.472 -8.212 16.037 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.122 -6.569 14.958 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.764 -5.493 14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.777 -4.770 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.306 -5.598 17.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.173 -6.194 18.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.596 -7.551 17.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.028 -6.787 17.265 1.00 0.00 H new ATOM 602 N ILE A 40 -0.831 -8.682 13.192 1.00 0.00 N ATOM 603 CA ILE A 40 -2.286 -8.830 13.360 1.00 0.00 C ATOM 604 C ILE A 40 -2.892 -8.540 11.986 1.00 0.00 C ATOM 605 O ILE A 40 -3.370 -9.446 11.309 1.00 0.00 O ATOM 606 CB ILE A 40 -2.917 -7.987 14.506 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.312 -8.320 15.888 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.456 -8.111 14.521 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.458 -9.780 16.342 1.00 0.00 C ATOM 0 H ILE A 40 -0.359 -9.586 13.166 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.513 -9.842 13.696 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.669 -6.946 14.297 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.252 -8.068 15.871 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.780 -7.678 16.634 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.862 -7.509 15.334 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.859 -7.757 13.572 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.736 -9.154 14.667 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.000 -9.903 17.323 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.515 -10.039 16.400 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.963 -10.435 15.625 1.00 0.00 H new ATOM 621 N LEU A 41 -2.741 -7.311 11.494 1.00 0.00 N ATOM 622 CA LEU A 41 -3.359 -6.836 10.260 1.00 0.00 C ATOM 623 C LEU A 41 -2.515 -7.243 9.030 1.00 0.00 C ATOM 624 O LEU A 41 -2.853 -6.923 7.888 1.00 0.00 O ATOM 625 CB LEU A 41 -3.549 -5.313 10.450 1.00 0.00 C ATOM 626 CG LEU A 41 -4.582 -4.568 9.580 1.00 0.00 C ATOM 627 CD1 LEU A 41 -3.926 -3.831 8.414 1.00 0.00 C ATOM 628 CD2 LEU A 41 -5.761 -5.426 9.116 1.00 0.00 C ATOM 0 H LEU A 41 -2.171 -6.602 11.955 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.330 -7.290 10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.816 -5.144 11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.581 -4.839 10.288 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.018 -3.824 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.691 -3.321 7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.216 -3.099 8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.402 -4.546 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.436 -4.820 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.391 -6.261 8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.297 -5.808 9.985 1.00 0.00 H new ATOM 640 N ARG A 42 -1.496 -8.090 9.246 1.00 0.00 N ATOM 641 CA ARG A 42 -0.555 -8.594 8.251 1.00 0.00 C ATOM 642 C ARG A 42 -1.326 -9.315 7.159 1.00 0.00 C ATOM 643 O ARG A 42 -1.112 -9.020 5.986 1.00 0.00 O ATOM 644 CB ARG A 42 0.469 -9.536 8.940 1.00 0.00 C ATOM 645 CG ARG A 42 1.373 -10.335 7.975 1.00 0.00 C ATOM 646 CD ARG A 42 2.277 -11.372 8.671 1.00 0.00 C ATOM 647 NE ARG A 42 3.466 -10.785 9.317 1.00 0.00 N ATOM 648 CZ ARG A 42 4.659 -11.384 9.489 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.863 -12.658 9.160 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.662 -10.691 10.000 1.00 0.00 N ATOM 0 H ARG A 42 -1.301 -8.459 10.177 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.004 -7.771 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.102 -8.941 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.074 -10.239 9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.745 -10.848 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.000 -9.637 7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.693 -11.904 9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.601 -12.110 7.937 1.00 0.00 H new ATOM 0 HE ARG A 42 3.375 -9.832 9.668 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.102 -13.211 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.780 -13.081 9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.527 -9.714 10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.571 -11.134 10.135 1.00 0.00 H new ATOM 664 N GLY A 43 -2.206 -10.251 7.527 1.00 0.00 N ATOM 665 CA GLY A 43 -2.915 -11.099 6.577 1.00 0.00 C ATOM 666 C GLY A 43 -3.640 -10.286 5.507 1.00 0.00 C ATOM 667 O GLY A 43 -3.515 -10.588 4.319 1.00 0.00 O ATOM 0 H GLY A 43 -2.445 -10.439 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.207 -11.776 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.636 -11.717 7.112 1.00 0.00 H new ATOM 671 N LEU A 44 -4.364 -9.240 5.922 1.00 0.00 N ATOM 672 CA LEU A 44 -5.199 -8.438 5.040 1.00 0.00 C ATOM 673 C LEU A 44 -4.287 -7.783 4.005 1.00 0.00 C ATOM 674 O LEU A 44 -4.463 -7.983 2.805 1.00 0.00 O ATOM 675 CB LEU A 44 -5.995 -7.428 5.897 1.00 0.00 C ATOM 676 CG LEU A 44 -7.277 -6.825 5.290 1.00 0.00 C ATOM 677 CD1 LEU A 44 -7.035 -6.008 4.022 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.337 -7.899 5.020 1.00 0.00 C ATOM 0 H LEU A 44 -4.382 -8.928 6.893 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.934 -9.034 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.266 -7.921 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.327 -6.606 6.153 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.647 -6.135 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.984 -5.617 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.363 -5.179 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.585 -6.644 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.225 -7.434 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.940 -8.634 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.601 -8.393 5.955 1.00 0.00 H new ATOM 690 N CYS A 45 -3.259 -7.070 4.469 1.00 0.00 N ATOM 691 CA CYS A 45 -2.237 -6.477 3.641 1.00 0.00 C ATOM 692 C CYS A 45 -1.561 -7.476 2.697 1.00 0.00 C ATOM 693 O CYS A 45 -1.500 -7.201 1.501 1.00 0.00 O ATOM 694 CB CYS A 45 -1.241 -5.787 4.560 1.00 0.00 C ATOM 695 SG CYS A 45 -0.066 -4.743 3.685 1.00 0.00 S ATOM 0 H CYS A 45 -3.121 -6.891 5.464 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.699 -5.751 2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.786 -5.181 5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.694 -6.543 5.124 1.00 0.00 H new ATOM 700 N LYS A 46 -1.039 -8.617 3.177 1.00 0.00 N ATOM 701 CA LYS A 46 -0.346 -9.562 2.287 1.00 0.00 C ATOM 702 C LYS A 46 -1.306 -9.979 1.159 1.00 0.00 C ATOM 703 O LYS A 46 -0.872 -10.063 0.008 1.00 0.00 O ATOM 704 CB LYS A 46 0.249 -10.793 3.020 1.00 0.00 C ATOM 705 CG LYS A 46 1.277 -10.552 4.155 1.00 0.00 C ATOM 706 CD LYS A 46 2.713 -10.085 3.819 1.00 0.00 C ATOM 707 CE LYS A 46 3.741 -11.211 3.588 1.00 0.00 C ATOM 708 NZ LYS A 46 5.137 -10.803 3.919 1.00 0.00 N ATOM 0 H LYS A 46 -1.082 -8.903 4.155 1.00 0.00 H new ATOM 0 HA LYS A 46 0.519 -9.048 1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.581 -11.362 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.724 -11.427 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.846 -9.812 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.363 -11.483 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.674 -9.463 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.070 -9.452 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.468 -12.075 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.698 -11.526 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.805 -11.351 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.259 -9.789 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.322 -10.984 4.926 1.00 0.00 H new ATOM 722 N LYS A 47 -2.603 -10.187 1.444 1.00 0.00 N ATOM 723 CA LYS A 47 -3.579 -10.537 0.407 1.00 0.00 C ATOM 724 C LYS A 47 -3.730 -9.342 -0.537 1.00 0.00 C ATOM 725 O LYS A 47 -3.707 -9.545 -1.746 1.00 0.00 O ATOM 726 CB LYS A 47 -4.921 -10.940 1.039 1.00 0.00 C ATOM 727 CG LYS A 47 -5.828 -11.812 0.144 1.00 0.00 C ATOM 728 CD LYS A 47 -6.273 -11.391 -1.271 1.00 0.00 C ATOM 729 CE LYS A 47 -7.117 -10.107 -1.334 1.00 0.00 C ATOM 730 NZ LYS A 47 -7.802 -9.948 -2.645 1.00 0.00 N ATOM 0 H LYS A 47 -2.996 -10.118 2.383 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.231 -11.398 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.722 -11.480 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.465 -10.035 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.323 -12.772 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.740 -11.994 0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.385 -11.255 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.846 -12.206 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.861 -10.124 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.476 -9.244 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.450 -9.136 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.094 -9.787 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.342 -10.810 -2.862 1.00 0.00 H new ATOM 744 N ILE A 48 -3.885 -8.115 -0.023 1.00 0.00 N ATOM 745 CA ILE A 48 -4.058 -6.895 -0.819 1.00 0.00 C ATOM 746 C ILE A 48 -2.906 -6.800 -1.815 1.00 0.00 C ATOM 747 O ILE A 48 -3.165 -6.657 -3.004 1.00 0.00 O ATOM 748 CB ILE A 48 -4.151 -5.640 0.093 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.492 -5.583 0.856 1.00 0.00 C ATOM 750 CG2 ILE A 48 -3.879 -4.306 -0.630 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.680 -4.982 0.098 1.00 0.00 C ATOM 0 H ILE A 48 -3.894 -7.940 0.982 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.998 -6.939 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.341 -5.761 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.757 -6.596 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.342 -5.007 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.965 -3.483 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.874 -4.319 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.606 -4.171 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.564 -4.996 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.451 -3.954 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.872 -5.568 -0.801 1.00 0.00 H new ATOM 763 N MET A 49 -1.658 -6.916 -1.360 1.00 0.00 N ATOM 764 CA MET A 49 -0.505 -6.769 -2.239 1.00 0.00 C ATOM 765 C MET A 49 -0.438 -7.920 -3.242 1.00 0.00 C ATOM 766 O MET A 49 -0.288 -7.659 -4.431 1.00 0.00 O ATOM 767 CB MET A 49 0.791 -6.597 -1.431 1.00 0.00 C ATOM 768 CG MET A 49 0.734 -5.353 -0.529 1.00 0.00 C ATOM 769 SD MET A 49 0.259 -3.800 -1.344 1.00 0.00 S ATOM 770 CE MET A 49 -0.070 -2.781 0.116 1.00 0.00 C ATOM 0 H MET A 49 -1.423 -7.111 -0.387 1.00 0.00 H new ATOM 0 HA MET A 49 -0.623 -5.855 -2.821 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.960 -7.483 -0.819 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.637 -6.514 -2.113 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.029 -5.547 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.714 -5.215 -0.071 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.511 -1.834 -0.193 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.761 -3.304 0.777 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.864 -2.591 0.645 1.00 0.00 H new ATOM 780 N ARG A 50 -0.627 -9.188 -2.842 1.00 0.00 N ATOM 781 CA ARG A 50 -0.603 -10.275 -3.835 1.00 0.00 C ATOM 782 C ARG A 50 -1.644 -10.063 -4.929 1.00 0.00 C ATOM 783 O ARG A 50 -1.425 -10.450 -6.075 1.00 0.00 O ATOM 784 CB ARG A 50 -0.836 -11.633 -3.160 1.00 0.00 C ATOM 785 CG ARG A 50 -0.755 -12.843 -4.121 1.00 0.00 C ATOM 786 CD ARG A 50 0.525 -12.902 -4.977 1.00 0.00 C ATOM 787 NE ARG A 50 0.461 -13.940 -6.024 1.00 0.00 N ATOM 788 CZ ARG A 50 0.008 -13.784 -7.281 1.00 0.00 C ATOM 789 NH1 ARG A 50 -0.587 -12.654 -7.670 1.00 0.00 N ATOM 790 NH2 ARG A 50 0.153 -14.777 -8.157 1.00 0.00 N ATOM 0 H ARG A 50 -0.792 -9.479 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 50 0.385 -10.266 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.099 -11.763 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.817 -11.626 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.827 -13.760 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.619 -12.820 -4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.691 -11.931 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.381 -13.096 -4.331 1.00 0.00 H new ATOM 0 HE ARG A 50 0.794 -14.870 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.706 -11.886 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.923 -12.558 -8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.604 -15.646 -7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.187 -14.668 -9.112 1.00 0.00 H new ATOM 804 N SER A 51 -2.783 -9.521 -4.526 1.00 0.00 N ATOM 805 CA SER A 51 -3.932 -9.253 -5.366 1.00 0.00 C ATOM 806 C SER A 51 -3.742 -8.026 -6.265 1.00 0.00 C ATOM 807 O SER A 51 -4.121 -8.101 -7.429 1.00 0.00 O ATOM 808 CB SER A 51 -5.132 -9.052 -4.430 1.00 0.00 C ATOM 809 OG SER A 51 -6.403 -9.196 -5.032 1.00 0.00 O ATOM 0 H SER A 51 -2.935 -9.244 -3.556 1.00 0.00 H new ATOM 0 HA SER A 51 -4.084 -10.092 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.055 -9.766 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.067 -8.056 -3.993 1.00 0.00 H new ATOM 0 HG SER A 51 -6.779 -8.310 -5.219 1.00 0.00 H new ATOM 815 N PHE A 52 -3.178 -6.916 -5.767 1.00 0.00 N ATOM 816 CA PHE A 52 -3.102 -5.666 -6.521 1.00 0.00 C ATOM 817 C PHE A 52 -1.813 -4.851 -6.296 1.00 0.00 C ATOM 818 O PHE A 52 -1.874 -3.624 -6.364 1.00 0.00 O ATOM 819 CB PHE A 52 -4.312 -4.794 -6.092 1.00 0.00 C ATOM 820 CG PHE A 52 -5.660 -5.460 -5.856 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.356 -6.074 -6.914 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.257 -5.390 -4.580 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.638 -6.609 -6.700 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.546 -5.911 -4.370 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.240 -6.513 -5.433 1.00 0.00 C ATOM 0 H PHE A 52 -2.765 -6.864 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.107 -5.931 -7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.035 -4.278 -5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.453 -4.030 -6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.904 -6.134 -7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.722 -4.934 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.162 -7.095 -7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.002 -5.849 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.235 -6.902 -5.277 1.00 0.00 H new ATOM 835 N LEU A 53 -0.626 -5.455 -6.163 1.00 0.00 N ATOM 836 CA LEU A 53 0.589 -4.699 -5.813 1.00 0.00 C ATOM 837 C LEU A 53 0.864 -3.602 -6.835 1.00 0.00 C ATOM 838 O LEU A 53 0.936 -2.439 -6.447 1.00 0.00 O ATOM 839 CB LEU A 53 1.824 -5.593 -5.613 1.00 0.00 C ATOM 840 CG LEU A 53 3.114 -4.810 -5.282 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.984 -3.900 -4.051 1.00 0.00 C ATOM 842 CD2 LEU A 53 4.220 -5.828 -5.010 1.00 0.00 C ATOM 0 H LEU A 53 -0.478 -6.456 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 53 0.392 -4.234 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.623 -6.300 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.988 -6.178 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 53 3.331 -4.164 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.928 -3.383 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.195 -3.168 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.737 -4.503 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.146 -5.304 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.934 -6.460 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.370 -6.447 -5.894 1.00 0.00 H new ATOM 854 N ARG A 54 1.028 -3.931 -8.121 1.00 0.00 N ATOM 855 CA ARG A 54 1.318 -2.896 -9.114 1.00 0.00 C ATOM 856 C ARG A 54 0.246 -1.796 -9.147 1.00 0.00 C ATOM 857 O ARG A 54 0.577 -0.676 -9.525 1.00 0.00 O ATOM 858 CB ARG A 54 1.615 -3.498 -10.500 1.00 0.00 C ATOM 859 CG ARG A 54 2.410 -2.494 -11.357 1.00 0.00 C ATOM 860 CD ARG A 54 3.004 -3.107 -12.633 1.00 0.00 C ATOM 861 NE ARG A 54 4.141 -2.295 -13.089 1.00 0.00 N ATOM 862 CZ ARG A 54 4.708 -2.198 -14.294 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.203 -2.833 -15.352 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.795 -1.449 -14.412 1.00 0.00 N ATOM 0 H ARG A 54 0.967 -4.880 -8.490 1.00 0.00 H new ATOM 0 HA ARG A 54 2.234 -2.398 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.182 -4.422 -10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.681 -3.755 -11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.756 -1.667 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.217 -2.076 -10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.329 -4.129 -12.440 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.244 -3.156 -13.413 1.00 0.00 H new ATOM 0 HE ARG A 54 4.566 -1.711 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.366 -3.408 -15.250 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.653 -2.744 -16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.174 -0.968 -13.596 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.253 -1.354 -15.319 1.00 0.00 H new ATOM 878 N ARG A 55 -1.022 -2.043 -8.754 1.00 0.00 N ATOM 879 CA ARG A 55 -1.975 -0.952 -8.659 1.00 0.00 C ATOM 880 C ARG A 55 -1.500 -0.020 -7.528 1.00 0.00 C ATOM 881 O ARG A 55 -1.349 1.177 -7.742 1.00 0.00 O ATOM 882 CB ARG A 55 -3.434 -1.420 -8.441 1.00 0.00 C ATOM 883 CG ARG A 55 -4.287 -1.886 -9.650 1.00 0.00 C ATOM 884 CD ARG A 55 -4.987 -0.811 -10.536 1.00 0.00 C ATOM 885 NE ARG A 55 -6.416 -0.555 -10.193 1.00 0.00 N ATOM 886 CZ ARG A 55 -7.137 0.582 -10.352 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.616 1.703 -10.828 1.00 0.00 N ATOM 888 NH2 ARG A 55 -8.415 0.639 -9.989 1.00 0.00 N ATOM 0 H ARG A 55 -1.387 -2.963 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.001 -0.424 -9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.407 -2.243 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.970 -0.600 -7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.643 -2.479 -10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.060 -2.554 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.434 0.125 -10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.928 -1.124 -11.578 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.919 -1.342 -9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.632 1.736 -11.093 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.199 2.534 -10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.867 -0.181 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.943 1.502 -10.116 1.00 0.00 H new ATOM 902 N ILE A 56 -1.240 -0.543 -6.329 1.00 0.00 N ATOM 903 CA ILE A 56 -0.784 0.295 -5.216 1.00 0.00 C ATOM 904 C ILE A 56 0.508 1.020 -5.610 1.00 0.00 C ATOM 905 O ILE A 56 0.656 2.185 -5.262 1.00 0.00 O ATOM 906 CB ILE A 56 -0.662 -0.562 -3.932 1.00 0.00 C ATOM 907 CG1 ILE A 56 -2.039 -0.749 -3.256 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.290 0.033 -2.880 1.00 0.00 C ATOM 909 CD1 ILE A 56 -3.175 -1.214 -4.171 1.00 0.00 C ATOM 0 H ILE A 56 -1.336 -1.533 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.513 1.074 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.254 -1.514 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.930 -1.472 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.330 0.197 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.325 -0.621 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.290 0.125 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.069 1.018 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.093 -1.311 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.324 -0.483 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.918 -2.179 -4.608 1.00 0.00 H new ATOM 921 N SER A 57 1.354 0.428 -6.450 1.00 0.00 N ATOM 922 CA SER A 57 2.566 1.075 -6.910 1.00 0.00 C ATOM 923 C SER A 57 2.218 2.247 -7.828 1.00 0.00 C ATOM 924 O SER A 57 2.705 3.339 -7.562 1.00 0.00 O ATOM 925 CB SER A 57 3.458 0.029 -7.584 1.00 0.00 C ATOM 926 OG SER A 57 4.763 0.500 -7.781 1.00 0.00 O ATOM 0 H SER A 57 1.214 -0.510 -6.826 1.00 0.00 H new ATOM 0 HA SER A 57 3.123 1.495 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.486 -0.872 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.025 -0.252 -8.544 1.00 0.00 H new ATOM 0 HG SER A 57 5.105 0.169 -8.638 1.00 0.00 H new ATOM 932 N TRP A 58 1.342 2.092 -8.836 1.00 0.00 N ATOM 933 CA TRP A 58 0.888 3.221 -9.660 1.00 0.00 C ATOM 934 C TRP A 58 0.462 4.388 -8.763 1.00 0.00 C ATOM 935 O TRP A 58 0.891 5.519 -8.991 1.00 0.00 O ATOM 936 CB TRP A 58 -0.228 2.820 -10.660 1.00 0.00 C ATOM 937 CG TRP A 58 -1.489 3.654 -10.640 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.609 4.939 -11.049 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.782 3.330 -10.050 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.864 5.422 -10.725 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.603 4.487 -10.032 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.338 2.178 -9.479 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.855 4.491 -9.393 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.547 2.175 -8.787 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.296 3.343 -8.697 1.00 0.00 C ATOM 0 H TRP A 58 0.935 1.194 -9.098 1.00 0.00 H new ATOM 0 HA TRP A 58 1.729 3.545 -10.273 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.188 2.856 -11.667 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.503 1.783 -10.466 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.839 5.503 -11.554 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.201 6.354 -10.968 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.803 1.246 -9.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.480 5.371 -9.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.902 1.267 -8.321 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.199 3.372 -8.105 1.00 0.00 H new ATOM 956 N ASP A 59 -0.397 4.132 -7.769 1.00 0.00 N ATOM 957 CA ASP A 59 -0.794 5.145 -6.795 1.00 0.00 C ATOM 958 C ASP A 59 0.395 5.834 -6.153 1.00 0.00 C ATOM 959 O ASP A 59 0.421 7.055 -6.111 1.00 0.00 O ATOM 960 CB ASP A 59 -1.703 4.609 -5.698 1.00 0.00 C ATOM 961 CG ASP A 59 -3.063 4.244 -6.247 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.871 5.150 -6.559 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.434 2.951 -6.355 1.00 0.00 O ATOM 0 H ASP A 59 -0.832 3.221 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.357 5.872 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.246 3.733 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.813 5.359 -4.914 1.00 0.00 H new ATOM 969 N ILE A 60 1.322 5.066 -5.585 1.00 0.00 N ATOM 970 CA ILE A 60 2.485 5.577 -4.873 1.00 0.00 C ATOM 971 C ILE A 60 3.359 6.420 -5.815 1.00 0.00 C ATOM 972 O ILE A 60 3.742 7.526 -5.450 1.00 0.00 O ATOM 973 CB ILE A 60 3.222 4.385 -4.220 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.397 3.705 -3.103 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.588 4.784 -3.666 1.00 0.00 C ATOM 976 CD1 ILE A 60 2.214 4.503 -1.823 1.00 0.00 C ATOM 0 H ILE A 60 1.282 4.047 -5.609 1.00 0.00 H new ATOM 0 HA ILE A 60 2.194 6.254 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 60 3.363 3.665 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.411 3.467 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.876 2.759 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.067 3.914 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.212 5.165 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.462 5.559 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.620 3.925 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.189 4.719 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.701 5.438 -2.048 1.00 0.00 H new ATOM 988 N LEU A 61 3.635 5.934 -7.027 1.00 0.00 N ATOM 989 CA LEU A 61 4.405 6.629 -8.059 1.00 0.00 C ATOM 990 C LEU A 61 3.726 7.944 -8.465 1.00 0.00 C ATOM 991 O LEU A 61 4.404 8.941 -8.679 1.00 0.00 O ATOM 992 CB LEU A 61 4.583 5.714 -9.287 1.00 0.00 C ATOM 993 CG LEU A 61 5.417 4.438 -9.032 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.202 3.434 -10.171 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.916 4.723 -8.908 1.00 0.00 C ATOM 0 H LEU A 61 3.317 5.013 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 61 5.386 6.872 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.598 5.420 -9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.057 6.287 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 61 5.073 4.028 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.794 2.538 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.147 3.167 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.513 3.882 -11.115 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.450 3.790 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.277 5.177 -9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.089 5.405 -8.075 1.00 0.00 H new ATOM 1007 N THR A 62 2.393 7.971 -8.554 1.00 0.00 N ATOM 1008 CA THR A 62 1.612 9.189 -8.810 1.00 0.00 C ATOM 1009 C THR A 62 1.270 9.930 -7.502 1.00 0.00 C ATOM 1010 O THR A 62 0.443 10.842 -7.495 1.00 0.00 O ATOM 1011 CB THR A 62 0.358 8.855 -9.650 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.440 7.821 -9.094 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.737 8.421 -11.071 1.00 0.00 C ATOM 0 H THR A 62 1.816 7.136 -8.449 1.00 0.00 H new ATOM 0 HA THR A 62 2.223 9.877 -9.394 1.00 0.00 H new ATOM 0 HB THR A 62 -0.219 9.780 -9.660 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.003 6.957 -9.229 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.167 8.193 -11.635 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.280 9.227 -11.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.368 7.534 -11.024 1.00 0.00 H new ATOM 1021 N GLY A 63 1.890 9.526 -6.389 1.00 0.00 N ATOM 1022 CA GLY A 63 1.677 9.944 -5.015 1.00 0.00 C ATOM 1023 C GLY A 63 0.223 10.267 -4.690 1.00 0.00 C ATOM 1024 O GLY A 63 -0.032 11.203 -3.920 1.00 0.00 O ATOM 0 H GLY A 63 2.629 8.825 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.023 9.155 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.289 10.823 -4.813 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.730 9.399 -5.057 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.130 9.700 -4.793 1.00 0.00 C ATOM 1030 C LYS A 64 -2.361 9.151 -3.397 1.00 0.00 C ATOM 1031 O LYS A 64 -1.884 8.072 -3.042 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.981 9.010 -5.881 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.500 9.169 -5.686 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.289 9.209 -7.010 1.00 0.00 C ATOM 1035 CE LYS A 64 -5.258 7.935 -7.873 1.00 0.00 C ATOM 1036 NZ LYS A 64 -6.049 6.818 -7.309 1.00 0.00 N ATOM 0 H LYS A 64 -0.558 8.509 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.398 10.756 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.706 9.416 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.737 7.948 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.869 8.343 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.693 10.086 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.329 9.438 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.906 10.035 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.636 8.171 -8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.224 7.613 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.408 6.056 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.592 7.157 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.703 6.456 -8.032 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.164 9.870 -2.614 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.323 9.496 -1.216 1.00 0.00 C ATOM 1052 C LYS A 65 -4.140 8.219 -1.022 1.00 0.00 C ATOM 1053 O LYS A 65 -5.088 7.979 -1.770 1.00 0.00 O ATOM 1054 CB LYS A 65 -3.751 10.709 -0.361 1.00 0.00 C ATOM 1055 CG LYS A 65 -2.554 11.603 0.041 1.00 0.00 C ATOM 1056 CD LYS A 65 -1.800 12.391 -1.052 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.287 12.470 -0.774 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.427 11.208 -1.088 1.00 0.00 N ATOM 0 H LYS A 65 -3.697 10.687 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.346 9.209 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.474 11.305 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.255 10.356 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.915 12.324 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.827 10.969 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.966 11.916 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.209 13.399 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.143 13.280 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.129 12.719 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.434 11.310 -0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.017 10.430 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.331 10.998 -2.102 1.00 0.00 H new ATOM 1072 N PRO A 66 -3.975 7.543 0.125 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.553 6.245 0.452 1.00 0.00 C ATOM 1074 C PRO A 66 -6.066 6.188 0.436 1.00 0.00 C ATOM 1075 O PRO A 66 -6.622 5.253 -0.130 1.00 0.00 O ATOM 1076 CB PRO A 66 -3.992 5.858 1.819 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.414 7.151 2.351 1.00 0.00 C ATOM 1078 CD PRO A 66 -2.928 7.804 1.084 1.00 0.00 C ATOM 0 HA PRO A 66 -4.275 5.537 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.770 5.468 2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.229 5.084 1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.163 7.755 2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.605 6.978 3.060 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.773 8.874 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.977 7.383 0.759 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.753 7.131 1.082 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.209 7.072 1.095 1.00 0.00 C ATOM 1088 C GLN A 67 -8.767 7.156 -0.335 1.00 0.00 C ATOM 1089 O GLN A 67 -9.805 6.562 -0.609 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.769 8.135 2.051 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.215 7.820 2.471 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.623 8.588 3.728 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.951 8.513 4.756 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.713 9.336 3.687 1.00 0.00 N ATOM 0 H GLN A 67 -6.341 7.917 1.585 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.541 6.109 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.138 8.195 2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.735 9.112 1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.893 8.072 1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.316 6.750 2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.262 9.390 2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.004 9.858 4.513 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.045 7.810 -1.258 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.431 7.836 -2.667 1.00 0.00 C ATOM 1105 C ALA A 68 -8.033 6.534 -3.375 1.00 0.00 C ATOM 1106 O ALA A 68 -8.727 6.122 -4.299 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.815 9.050 -3.373 1.00 0.00 C ATOM 0 H ALA A 68 -7.191 8.327 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.516 7.924 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.114 9.052 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.164 9.965 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.728 8.997 -3.306 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.944 5.873 -2.961 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.549 4.564 -3.486 1.00 0.00 C ATOM 1115 C ILE A 69 -7.691 3.577 -3.278 1.00 0.00 C ATOM 1116 O ILE A 69 -8.131 2.946 -4.231 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.243 4.040 -2.823 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.073 5.002 -3.069 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.936 2.598 -3.273 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.743 4.518 -2.493 1.00 0.00 C ATOM 0 H ILE A 69 -6.310 6.235 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.341 4.669 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.393 4.005 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.959 5.154 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.315 5.972 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.018 2.255 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.760 1.944 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.813 2.573 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.965 5.251 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.837 4.394 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.476 3.563 -2.946 1.00 0.00 H new ATOM 1132 N CYS A 70 -8.141 3.425 -2.035 1.00 0.00 N ATOM 1133 CA CYS A 70 -9.137 2.438 -1.647 1.00 0.00 C ATOM 1134 C CYS A 70 -10.438 2.614 -2.427 1.00 0.00 C ATOM 1135 O CYS A 70 -11.051 1.607 -2.763 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.346 2.526 -0.134 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.787 2.415 0.789 1.00 0.00 S ATOM 0 H CYS A 70 -7.815 3.997 -1.256 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.780 1.438 -1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.841 3.466 0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.012 1.724 0.185 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.878 3.847 -2.691 1.00 0.00 N ATOM 1143 CA VAL A 71 -12.050 4.057 -3.534 1.00 0.00 C ATOM 1144 C VAL A 71 -11.735 3.619 -4.974 1.00 0.00 C ATOM 1145 O VAL A 71 -12.489 2.833 -5.538 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.573 5.506 -3.413 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.818 5.749 -4.278 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.964 5.857 -1.964 1.00 0.00 C ATOM 0 H VAL A 71 -10.446 4.701 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.873 3.431 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.748 6.133 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.148 6.781 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.576 5.564 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.615 5.075 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.326 6.884 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.750 5.182 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.093 5.754 -1.317 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.607 4.057 -5.547 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.217 3.795 -6.941 1.00 0.00 C ATOM 1160 C ASP A 72 -10.179 2.299 -7.253 1.00 0.00 C ATOM 1161 O ASP A 72 -10.699 1.839 -8.269 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.849 4.437 -7.191 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.381 4.458 -8.648 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.365 3.410 -9.340 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.787 5.512 -8.969 1.00 0.00 O ATOM 0 H ASP A 72 -9.921 4.618 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.964 4.231 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.877 5.463 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.105 3.906 -6.597 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.522 1.520 -6.390 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.346 0.085 -6.616 1.00 0.00 C ATOM 1172 C ILE A 73 -10.550 -0.739 -6.114 1.00 0.00 C ATOM 1173 O ILE A 73 -10.557 -1.958 -6.267 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.982 -0.374 -6.089 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.959 -0.374 -4.556 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.865 0.509 -6.682 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.565 -0.634 -4.014 1.00 0.00 C ATOM 0 H ILE A 73 -9.102 1.862 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.332 -0.107 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.804 -1.401 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.319 0.586 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.643 -1.136 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.899 0.177 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.876 0.428 -7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.030 1.547 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.591 -0.626 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.215 -1.606 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.887 0.143 -4.366 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.545 -0.059 -5.541 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.856 -0.467 -5.082 1.00 0.00 C ATOM 1191 C LYS A 74 -12.812 -1.368 -3.845 1.00 0.00 C ATOM 1192 O LYS A 74 -12.980 -2.586 -3.917 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.653 -0.992 -6.287 1.00 0.00 C ATOM 1194 CG LYS A 74 -15.123 -1.017 -5.898 1.00 0.00 C ATOM 1195 CD LYS A 74 -16.067 -1.516 -6.993 1.00 0.00 C ATOM 1196 CE LYS A 74 -17.488 -0.933 -6.911 1.00 0.00 C ATOM 1197 NZ LYS A 74 -18.214 -1.335 -5.685 1.00 0.00 N ATOM 0 H LYS A 74 -11.419 0.938 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.406 0.391 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.499 -0.351 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.314 -1.990 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.241 -1.651 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.425 -0.011 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.640 -1.270 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.128 -2.603 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.430 0.155 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.056 -1.254 -7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.164 -0.911 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.298 -2.371 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.691 -1.006 -4.848 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.548 -0.748 -2.696 1.00 0.00 N ATOM 1212 CA ILE A 75 -12.350 -1.356 -1.384 1.00 0.00 C ATOM 1213 C ILE A 75 -12.994 -0.516 -0.259 1.00 0.00 C ATOM 1214 O ILE A 75 -13.234 -1.045 0.832 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.817 -1.488 -1.183 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -10.218 -2.488 -2.203 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.386 -1.914 0.231 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.725 -2.761 -2.016 1.00 0.00 C ATOM 0 H ILE A 75 -12.461 0.267 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.835 -2.331 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.431 -0.481 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.760 -3.431 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.382 -2.104 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.299 -1.980 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.735 -1.178 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.818 -2.887 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.388 -3.471 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.169 -1.829 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.553 -3.178 -1.024 1.00 0.00 H new