USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 519 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 45 ASN :FLIP amide:sc= 0.306 F(o=-0.35,f=0.27) USER MOD Set 1.2: A 46 GLN : amide:sc= -0.0406 X(o=0.27,f=0.26) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 60 SER OG : rot 180:sc= -0.708 USER MOD Set 3.1: A 7 SER OG : rot 21:sc= 0.54 USER MOD Set 3.2: A 28 GLN : amide:sc= 0.52 K(o=1.1,f=-1.2) USER MOD Set 4.1: A 1 SER OG : rot -143:sc= 1.23 USER MOD Set 4.2: A 39 GLN : amide:sc= -3.98! C(o=-2.7!,f=-3.8!) USER MOD Single : A 1 SER N :NH3+ -163:sc= 1.14 (180deg=0.712) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 13 ASN : amide:sc= -10.8! C(o=-11!,f=-18!) USER MOD Single : A 18 TYR OH : rot -63:sc= 0.397 USER MOD Single : A 19 SER OG : rot 43:sc= 1.18 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 129:sc= 1.33 USER MOD Single : A 27 HIS : no HD1:sc= -0.0987 X(o=-0.099,f=-0.04) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 71:sc= 0.34 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -62:sc= 0.205 USER MOD Single : A 54 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0986 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.112 F(o=-1.1,f=-0.11) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -98:sc= 1.03 USER MOD Single : A 75 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.616 -3.293 0.276 1.00 0.00 N ATOM 2 CA SER A 1 -8.701 -3.187 1.449 1.00 0.00 C ATOM 3 C SER A 1 -7.560 -4.224 1.386 1.00 0.00 C ATOM 4 O SER A 1 -7.289 -4.903 2.358 1.00 0.00 O ATOM 5 CB SER A 1 -9.529 -3.379 2.753 1.00 0.00 C ATOM 6 OG SER A 1 -10.236 -2.160 2.902 1.00 0.00 O ATOM 0 H1 SER A 1 -10.182 -2.424 0.198 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.056 -3.421 -0.591 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.249 -4.108 0.402 1.00 0.00 H new ATOM 0 HA SER A 1 -8.238 -2.200 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.210 -4.226 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.883 -3.571 3.610 1.00 0.00 H new ATOM 0 HG SER A 1 -10.293 -1.929 3.853 1.00 0.00 H new ATOM 11 N ALA A 2 -6.918 -4.319 0.244 1.00 0.00 N ATOM 12 CA ALA A 2 -5.784 -5.294 0.077 1.00 0.00 C ATOM 13 C ALA A 2 -4.691 -4.728 -0.853 1.00 0.00 C ATOM 14 O ALA A 2 -4.793 -4.810 -2.061 1.00 0.00 O ATOM 15 CB ALA A 2 -6.361 -6.601 -0.494 1.00 0.00 C ATOM 0 H ALA A 2 -7.130 -3.762 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.314 -5.479 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.558 -7.326 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.104 -7.002 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.830 -6.401 -1.457 1.00 0.00 H new ATOM 21 N PHE A 3 -3.674 -4.168 -0.238 1.00 0.00 N ATOM 22 CA PHE A 3 -2.518 -3.561 -0.981 1.00 0.00 C ATOM 23 C PHE A 3 -1.294 -4.494 -1.111 1.00 0.00 C ATOM 24 O PHE A 3 -0.536 -4.654 -0.173 1.00 0.00 O ATOM 25 CB PHE A 3 -2.163 -2.282 -0.228 1.00 0.00 C ATOM 26 CG PHE A 3 -1.116 -1.406 -0.940 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.495 -0.571 -1.975 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.211 -1.422 -0.549 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.570 0.233 -2.607 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.133 -0.616 -1.182 1.00 0.00 C ATOM 31 CZ PHE A 3 0.745 0.211 -2.208 1.00 0.00 C ATOM 0 H PHE A 3 -3.595 -4.105 0.777 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.810 -3.367 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -3.070 -1.697 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.788 -2.547 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.527 -0.548 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.526 -2.069 0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.879 0.880 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.167 -0.635 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.471 0.842 -2.699 1.00 0.00 H new ATOM 41 N THR A 4 -1.137 -5.081 -2.273 1.00 0.00 N ATOM 42 CA THR A 4 0.013 -6.008 -2.535 1.00 0.00 C ATOM 43 C THR A 4 1.237 -5.161 -2.947 1.00 0.00 C ATOM 44 O THR A 4 1.068 -4.060 -3.434 1.00 0.00 O ATOM 45 CB THR A 4 -0.406 -6.976 -3.656 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.576 -7.608 -3.151 1.00 0.00 O ATOM 47 CG2 THR A 4 0.588 -8.137 -3.821 1.00 0.00 C ATOM 0 H THR A 4 -1.767 -4.956 -3.065 1.00 0.00 H new ATOM 0 HA THR A 4 0.278 -6.587 -1.651 1.00 0.00 H new ATOM 0 HB THR A 4 -0.498 -6.428 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.914 -8.248 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.251 -8.794 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.573 -7.740 -4.067 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.646 -8.701 -2.890 1.00 0.00 H new ATOM 55 N VAL A 5 2.425 -5.686 -2.744 1.00 0.00 N ATOM 56 CA VAL A 5 3.688 -4.944 -3.101 1.00 0.00 C ATOM 57 C VAL A 5 4.843 -5.911 -3.472 1.00 0.00 C ATOM 58 O VAL A 5 4.797 -7.078 -3.136 1.00 0.00 O ATOM 59 CB VAL A 5 4.155 -4.081 -1.891 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.036 -3.163 -1.376 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.586 -5.002 -0.725 1.00 0.00 C ATOM 0 H VAL A 5 2.578 -6.610 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 5 3.458 -4.319 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 5 4.987 -3.468 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.404 -2.579 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.722 -2.490 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.188 -3.768 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.912 -4.393 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.743 -5.622 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.407 -5.640 -1.050 1.00 0.00 H new ATOM 71 N TRP A 6 5.839 -5.394 -4.155 1.00 0.00 N ATOM 72 CA TRP A 6 7.026 -6.188 -4.571 1.00 0.00 C ATOM 73 C TRP A 6 8.224 -5.212 -4.518 1.00 0.00 C ATOM 74 O TRP A 6 8.091 -4.065 -4.894 1.00 0.00 O ATOM 75 CB TRP A 6 6.840 -6.711 -5.997 1.00 0.00 C ATOM 76 CG TRP A 6 5.619 -7.623 -6.160 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.661 -8.989 -6.130 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.329 -7.237 -6.374 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.417 -9.354 -6.323 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.543 -8.384 -6.482 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.740 -5.982 -6.495 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.174 -8.271 -6.710 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.372 -5.873 -6.723 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.591 -7.017 -6.831 1.00 0.00 C ATOM 0 H TRP A 6 5.872 -4.418 -4.448 1.00 0.00 H new ATOM 0 HA TRP A 6 7.178 -7.051 -3.923 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.744 -5.864 -6.676 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.735 -7.258 -6.294 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.523 -9.623 -5.981 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.142 -10.336 -6.348 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.346 -5.092 -6.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.565 -9.159 -6.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.917 -4.898 -6.816 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.529 -6.931 -7.009 1.00 0.00 H new ATOM 95 N SER A 7 9.356 -5.687 -4.052 1.00 0.00 N ATOM 96 CA SER A 7 10.597 -4.835 -3.947 1.00 0.00 C ATOM 97 C SER A 7 11.027 -4.165 -5.266 1.00 0.00 C ATOM 98 O SER A 7 11.734 -3.176 -5.240 1.00 0.00 O ATOM 99 CB SER A 7 11.789 -5.680 -3.467 1.00 0.00 C ATOM 100 OG SER A 7 11.378 -6.297 -2.259 1.00 0.00 O ATOM 0 H SER A 7 9.479 -6.648 -3.733 1.00 0.00 H new ATOM 0 HA SER A 7 10.329 -4.051 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.061 -6.427 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.668 -5.056 -3.306 1.00 0.00 H new ATOM 0 HG SER A 7 10.399 -6.311 -2.215 1.00 0.00 H new ATOM 106 N GLY A 8 10.589 -4.718 -6.369 1.00 0.00 N ATOM 107 CA GLY A 8 10.930 -4.178 -7.723 1.00 0.00 C ATOM 108 C GLY A 8 11.577 -5.251 -8.609 1.00 0.00 C ATOM 109 O GLY A 8 12.025 -6.266 -8.112 1.00 0.00 O ATOM 0 H GLY A 8 9.992 -5.545 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.027 -3.803 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.610 -3.333 -7.618 1.00 0.00 H new ATOM 113 N PRO A 9 11.622 -5.004 -9.900 1.00 0.00 N ATOM 114 CA PRO A 9 11.375 -3.673 -10.538 1.00 0.00 C ATOM 115 C PRO A 9 9.877 -3.338 -10.577 1.00 0.00 C ATOM 116 O PRO A 9 9.457 -2.299 -10.103 1.00 0.00 O ATOM 117 CB PRO A 9 11.994 -3.781 -11.933 1.00 0.00 C ATOM 118 CG PRO A 9 12.241 -5.283 -12.200 1.00 0.00 C ATOM 119 CD PRO A 9 11.932 -6.057 -10.905 1.00 0.00 C ATOM 0 HA PRO A 9 11.823 -2.855 -9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.327 -3.360 -12.685 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.928 -3.221 -11.986 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.606 -5.634 -13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.274 -5.450 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.090 -6.735 -11.041 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.783 -6.663 -10.594 1.00 0.00 H new ATOM 127 N GLY A 10 9.128 -4.245 -11.147 1.00 0.00 N ATOM 128 CA GLY A 10 7.655 -4.077 -11.266 1.00 0.00 C ATOM 129 C GLY A 10 6.948 -4.821 -10.130 1.00 0.00 C ATOM 130 O GLY A 10 7.213 -4.584 -8.966 1.00 0.00 O ATOM 0 H GLY A 10 9.487 -5.114 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.398 -3.018 -11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.314 -4.458 -12.229 1.00 0.00 H new ATOM 134 N CYS A 11 6.070 -5.701 -10.534 1.00 0.00 N ATOM 135 CA CYS A 11 5.269 -6.534 -9.587 1.00 0.00 C ATOM 136 C CYS A 11 5.541 -8.015 -9.907 1.00 0.00 C ATOM 137 O CYS A 11 4.746 -8.652 -10.575 1.00 0.00 O ATOM 138 CB CYS A 11 3.793 -6.241 -9.791 1.00 0.00 C ATOM 139 SG CYS A 11 3.060 -4.616 -9.481 1.00 0.00 S ATOM 0 H CYS A 11 5.868 -5.883 -11.517 1.00 0.00 H new ATOM 0 HA CYS A 11 5.543 -6.310 -8.556 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.569 -6.489 -10.828 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.248 -6.950 -9.169 1.00 0.00 H new ATOM 144 N ASN A 12 6.645 -8.536 -9.436 1.00 0.00 N ATOM 145 CA ASN A 12 6.958 -9.975 -9.726 1.00 0.00 C ATOM 146 C ASN A 12 7.731 -10.618 -8.575 1.00 0.00 C ATOM 147 O ASN A 12 7.346 -11.635 -8.032 1.00 0.00 O ATOM 148 CB ASN A 12 7.807 -10.054 -11.018 1.00 0.00 C ATOM 149 CG ASN A 12 7.080 -9.372 -12.184 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.336 -9.988 -12.921 1.00 0.00 O ATOM 151 ND2 ASN A 12 7.272 -8.095 -12.379 1.00 0.00 N ATOM 0 H ASN A 12 7.335 -8.040 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 12 6.020 -10.515 -9.850 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.773 -9.576 -10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.006 -11.097 -11.266 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.798 -7.620 -13.147 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.896 -7.573 -11.763 1.00 0.00 H new ATOM 158 N ASN A 13 8.810 -9.954 -8.275 1.00 0.00 N ATOM 159 CA ASN A 13 9.776 -10.326 -7.205 1.00 0.00 C ATOM 160 C ASN A 13 9.219 -10.659 -5.787 1.00 0.00 C ATOM 161 O ASN A 13 8.440 -11.580 -5.646 1.00 0.00 O ATOM 162 CB ASN A 13 10.785 -9.157 -7.193 1.00 0.00 C ATOM 163 CG ASN A 13 10.067 -7.843 -6.859 1.00 0.00 C ATOM 164 OD1 ASN A 13 10.267 -7.322 -5.786 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.241 -7.282 -7.716 1.00 0.00 N ATOM 0 H ASN A 13 9.078 -9.103 -8.769 1.00 0.00 H new ATOM 0 HA ASN A 13 10.208 -11.297 -7.448 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.567 -9.349 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.272 -9.077 -8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.771 -6.410 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.071 -7.720 -8.622 1.00 0.00 H new ATOM 172 N ARG A 14 9.628 -9.917 -4.783 1.00 0.00 N ATOM 173 CA ARG A 14 9.172 -10.142 -3.371 1.00 0.00 C ATOM 174 C ARG A 14 7.666 -9.873 -3.142 1.00 0.00 C ATOM 175 O ARG A 14 7.274 -8.829 -2.659 1.00 0.00 O ATOM 176 CB ARG A 14 10.047 -9.233 -2.469 1.00 0.00 C ATOM 177 CG ARG A 14 9.796 -9.557 -0.983 1.00 0.00 C ATOM 178 CD ARG A 14 10.674 -8.671 -0.089 1.00 0.00 C ATOM 179 NE ARG A 14 10.343 -9.000 1.332 1.00 0.00 N ATOM 180 CZ ARG A 14 10.831 -8.306 2.331 1.00 0.00 C ATOM 181 NH1 ARG A 14 11.629 -7.296 2.114 1.00 0.00 N ATOM 182 NH2 ARG A 14 10.492 -8.656 3.540 1.00 0.00 N ATOM 0 H ARG A 14 10.280 -9.140 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 14 9.294 -11.197 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.101 -9.378 -2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.817 -8.185 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.745 -9.400 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.013 -10.608 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.730 -8.852 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.487 -7.617 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 14 9.722 -9.785 1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.879 -7.040 1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.003 -6.763 2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.866 -9.448 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.853 -8.138 4.341 1.00 0.00 H new ATOM 196 N ALA A 15 6.864 -10.845 -3.494 1.00 0.00 N ATOM 197 CA ALA A 15 5.383 -10.723 -3.329 1.00 0.00 C ATOM 198 C ALA A 15 4.960 -10.693 -1.851 1.00 0.00 C ATOM 199 O ALA A 15 5.053 -11.681 -1.149 1.00 0.00 O ATOM 200 CB ALA A 15 4.716 -11.908 -4.047 1.00 0.00 C ATOM 0 H ALA A 15 7.176 -11.730 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 15 5.063 -9.777 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.634 -11.837 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.976 -11.886 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.064 -12.843 -3.607 1.00 0.00 H new ATOM 206 N GLU A 16 4.508 -9.534 -1.442 1.00 0.00 N ATOM 207 CA GLU A 16 4.041 -9.299 -0.037 1.00 0.00 C ATOM 208 C GLU A 16 2.680 -8.602 -0.120 1.00 0.00 C ATOM 209 O GLU A 16 2.256 -8.231 -1.197 1.00 0.00 O ATOM 210 CB GLU A 16 5.054 -8.405 0.700 1.00 0.00 C ATOM 211 CG GLU A 16 6.401 -9.143 0.797 1.00 0.00 C ATOM 212 CD GLU A 16 7.424 -8.249 1.518 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.902 -7.333 0.868 1.00 0.00 O ATOM 214 OE2 GLU A 16 7.674 -8.528 2.679 1.00 0.00 O ATOM 0 H GLU A 16 4.441 -8.713 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 16 3.955 -10.238 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.180 -7.462 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.686 -8.162 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.276 -10.081 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.762 -9.396 -0.200 1.00 0.00 H new ATOM 221 N ARG A 17 2.026 -8.438 1.004 1.00 0.00 N ATOM 222 CA ARG A 17 0.688 -7.770 0.993 1.00 0.00 C ATOM 223 C ARG A 17 0.349 -7.081 2.318 1.00 0.00 C ATOM 224 O ARG A 17 0.894 -7.393 3.359 1.00 0.00 O ATOM 225 CB ARG A 17 -0.342 -8.870 0.624 1.00 0.00 C ATOM 226 CG ARG A 17 -1.809 -8.377 0.679 1.00 0.00 C ATOM 227 CD ARG A 17 -2.728 -9.468 0.079 1.00 0.00 C ATOM 228 NE ARG A 17 -2.422 -10.787 0.727 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.967 -11.164 1.857 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.819 -10.396 2.477 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.629 -12.328 2.340 1.00 0.00 N ATOM 0 H ARG A 17 2.358 -8.735 1.922 1.00 0.00 H new ATOM 0 HA ARG A 17 0.677 -6.960 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.127 -9.238 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.223 -9.713 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.097 -8.166 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.915 -7.446 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.774 -9.206 0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.576 -9.535 -0.998 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.762 -11.416 0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.069 -9.489 2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.236 -10.702 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.960 -12.913 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.034 -12.653 3.218 1.00 0.00 H new ATOM 245 N TYR A 18 -0.564 -6.151 2.196 1.00 0.00 N ATOM 246 CA TYR A 18 -1.052 -5.347 3.351 1.00 0.00 C ATOM 247 C TYR A 18 -2.578 -5.228 3.262 1.00 0.00 C ATOM 248 O TYR A 18 -3.107 -4.228 2.814 1.00 0.00 O ATOM 249 CB TYR A 18 -0.410 -3.946 3.305 1.00 0.00 C ATOM 250 CG TYR A 18 1.113 -4.036 3.463 1.00 0.00 C ATOM 251 CD1 TYR A 18 1.681 -4.347 4.684 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.941 -3.796 2.385 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.051 -4.414 4.824 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.308 -3.865 2.528 1.00 0.00 C ATOM 255 CZ TYR A 18 3.874 -4.173 3.745 1.00 0.00 C ATOM 256 OH TYR A 18 5.246 -4.238 3.879 1.00 0.00 O ATOM 0 H TYR A 18 -1.005 -5.910 1.309 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.779 -5.832 4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.653 -3.461 2.360 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.826 -3.325 4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.046 -4.539 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.513 -3.553 1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.482 -4.657 5.784 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.944 -3.675 1.676 1.00 0.00 H new ATOM 0 HH TYR A 18 5.546 -3.551 4.510 1.00 0.00 H new ATOM 266 N SER A 19 -3.237 -6.272 3.692 1.00 0.00 N ATOM 267 CA SER A 19 -4.735 -6.305 3.674 1.00 0.00 C ATOM 268 C SER A 19 -5.248 -6.205 5.122 1.00 0.00 C ATOM 269 O SER A 19 -6.439 -6.231 5.369 1.00 0.00 O ATOM 270 CB SER A 19 -5.181 -7.624 3.021 1.00 0.00 C ATOM 271 OG SER A 19 -6.594 -7.522 2.917 1.00 0.00 O ATOM 0 H SER A 19 -2.797 -7.116 4.060 1.00 0.00 H new ATOM 0 HA SER A 19 -5.142 -5.471 3.103 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.721 -7.755 2.041 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.891 -8.482 3.627 1.00 0.00 H new ATOM 0 HG SER A 19 -6.835 -6.623 2.611 1.00 0.00 H new ATOM 277 N LYS A 20 -4.310 -6.088 6.030 1.00 0.00 N ATOM 278 CA LYS A 20 -4.606 -5.979 7.484 1.00 0.00 C ATOM 279 C LYS A 20 -5.441 -4.726 7.777 1.00 0.00 C ATOM 280 O LYS A 20 -4.998 -3.623 7.525 1.00 0.00 O ATOM 281 CB LYS A 20 -3.270 -5.919 8.242 1.00 0.00 C ATOM 282 CG LYS A 20 -2.428 -7.191 7.955 1.00 0.00 C ATOM 283 CD LYS A 20 -1.062 -7.122 8.687 1.00 0.00 C ATOM 284 CE LYS A 20 -1.255 -7.193 10.216 1.00 0.00 C ATOM 285 NZ LYS A 20 0.072 -7.154 10.892 1.00 0.00 N ATOM 0 H LYS A 20 -3.315 -6.063 5.808 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.185 -6.844 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.714 -5.031 7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.455 -5.832 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.975 -8.076 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.266 -7.291 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.426 -7.944 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.549 -6.197 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.871 -6.359 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.783 -8.108 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.062 -7.202 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.645 -7.964 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.560 -6.269 10.647 1.00 0.00 H new ATOM 299 N CYS A 21 -6.622 -4.946 8.300 1.00 0.00 N ATOM 300 CA CYS A 21 -7.546 -3.817 8.640 1.00 0.00 C ATOM 301 C CYS A 21 -6.882 -2.933 9.713 1.00 0.00 C ATOM 302 O CYS A 21 -6.853 -3.275 10.880 1.00 0.00 O ATOM 303 CB CYS A 21 -8.887 -4.428 9.151 1.00 0.00 C ATOM 304 SG CYS A 21 -9.503 -3.968 10.791 1.00 0.00 S ATOM 0 H CYS A 21 -6.991 -5.874 8.509 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.751 -3.193 7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.660 -4.172 8.427 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.780 -5.513 9.134 1.00 0.00 H new ATOM 309 N GLY A 22 -6.357 -1.817 9.271 1.00 0.00 N ATOM 310 CA GLY A 22 -5.681 -0.862 10.202 1.00 0.00 C ATOM 311 C GLY A 22 -4.542 -0.172 9.457 1.00 0.00 C ATOM 312 O GLY A 22 -4.792 0.507 8.482 1.00 0.00 O ATOM 0 H GLY A 22 -6.368 -1.524 8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.394 -0.124 10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.296 -1.393 11.073 1.00 0.00 H new ATOM 316 N CYS A 23 -3.336 -0.366 9.933 1.00 0.00 N ATOM 317 CA CYS A 23 -2.139 0.259 9.285 1.00 0.00 C ATOM 318 C CYS A 23 -0.940 -0.696 9.265 1.00 0.00 C ATOM 319 O CYS A 23 -0.837 -1.585 10.089 1.00 0.00 O ATOM 320 CB CYS A 23 -1.726 1.530 10.042 1.00 0.00 C ATOM 321 SG CYS A 23 -0.213 2.338 9.457 1.00 0.00 S ATOM 0 H CYS A 23 -3.127 -0.937 10.752 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.422 0.498 8.260 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.545 2.247 9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.597 1.278 11.095 1.00 0.00 H new ATOM 326 N SER A 24 -0.072 -0.469 8.310 1.00 0.00 N ATOM 327 CA SER A 24 1.155 -1.313 8.154 1.00 0.00 C ATOM 328 C SER A 24 2.212 -0.568 7.322 1.00 0.00 C ATOM 329 O SER A 24 1.882 0.075 6.348 1.00 0.00 O ATOM 330 CB SER A 24 0.767 -2.628 7.462 1.00 0.00 C ATOM 331 OG SER A 24 0.164 -2.218 6.243 1.00 0.00 O ATOM 0 H SER A 24 -0.163 0.277 7.621 1.00 0.00 H new ATOM 0 HA SER A 24 1.580 -1.525 9.135 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.640 -3.256 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.076 -3.210 8.072 1.00 0.00 H new ATOM 0 HG SER A 24 0.578 -2.698 5.496 1.00 0.00 H new ATOM 337 N ALA A 25 3.451 -0.685 7.729 1.00 0.00 N ATOM 338 CA ALA A 25 4.566 -0.002 6.999 1.00 0.00 C ATOM 339 C ALA A 25 4.969 -0.767 5.731 1.00 0.00 C ATOM 340 O ALA A 25 5.006 -1.982 5.719 1.00 0.00 O ATOM 341 CB ALA A 25 5.769 0.113 7.939 1.00 0.00 C ATOM 0 H ALA A 25 3.741 -1.228 8.542 1.00 0.00 H new ATOM 0 HA ALA A 25 4.225 0.986 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.590 0.609 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.490 0.695 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.085 -0.883 8.249 1.00 0.00 H new ATOM 347 N ILE A 26 5.256 -0.005 4.705 1.00 0.00 N ATOM 348 CA ILE A 26 5.669 -0.571 3.382 1.00 0.00 C ATOM 349 C ILE A 26 7.099 -0.101 3.066 1.00 0.00 C ATOM 350 O ILE A 26 7.376 1.082 3.107 1.00 0.00 O ATOM 351 CB ILE A 26 4.729 -0.061 2.267 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.237 -0.238 2.628 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.028 -0.882 0.985 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.427 0.725 1.745 1.00 0.00 C ATOM 0 H ILE A 26 5.220 1.014 4.730 1.00 0.00 H new ATOM 0 HA ILE A 26 5.620 -1.659 3.429 1.00 0.00 H new ATOM 0 HB ILE A 26 4.909 1.005 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.922 -1.268 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.070 -0.022 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.379 -0.545 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.070 -0.740 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.846 -1.939 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.366 0.625 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.745 1.750 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.595 0.484 0.695 1.00 0.00 H new ATOM 366 N HIS A 27 7.955 -1.044 2.764 1.00 0.00 N ATOM 367 CA HIS A 27 9.372 -0.753 2.432 1.00 0.00 C ATOM 368 C HIS A 27 9.701 -1.384 1.064 1.00 0.00 C ATOM 369 O HIS A 27 10.810 -1.816 0.814 1.00 0.00 O ATOM 370 CB HIS A 27 10.189 -1.345 3.560 1.00 0.00 C ATOM 371 CG HIS A 27 9.801 -0.650 4.873 1.00 0.00 C ATOM 372 ND1 HIS A 27 9.381 -1.260 5.931 1.00 0.00 N ATOM 373 CD2 HIS A 27 9.795 0.690 5.224 1.00 0.00 C ATOM 374 CE1 HIS A 27 9.134 -0.396 6.862 1.00 0.00 C ATOM 375 NE2 HIS A 27 9.377 0.830 6.466 1.00 0.00 N ATOM 0 H HIS A 27 7.716 -2.035 2.735 1.00 0.00 H new ATOM 0 HA HIS A 27 9.587 0.312 2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.009 -2.417 3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.253 -1.213 3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.090 1.501 4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.772 -0.654 7.846 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.268 1.694 6.997 1.00 0.00 H new ATOM 383 N GLN A 28 8.696 -1.405 0.225 1.00 0.00 N ATOM 384 CA GLN A 28 8.809 -1.978 -1.152 1.00 0.00 C ATOM 385 C GLN A 28 8.656 -0.844 -2.155 1.00 0.00 C ATOM 386 O GLN A 28 7.573 -0.401 -2.486 1.00 0.00 O ATOM 387 CB GLN A 28 7.709 -3.023 -1.317 1.00 0.00 C ATOM 388 CG GLN A 28 7.937 -4.119 -0.268 1.00 0.00 C ATOM 389 CD GLN A 28 9.103 -5.022 -0.663 1.00 0.00 C ATOM 390 OE1 GLN A 28 8.928 -5.979 -1.391 1.00 0.00 O ATOM 391 NE2 GLN A 28 10.295 -4.753 -0.204 1.00 0.00 N ATOM 0 H GLN A 28 7.771 -1.036 0.446 1.00 0.00 H new ATOM 0 HA GLN A 28 9.775 -2.456 -1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.728 -2.568 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.732 -3.446 -2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.138 -3.663 0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.032 -4.716 -0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.437 -3.948 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.085 -5.347 -0.456 1.00 0.00 H new ATOM 400 N LYS A 29 9.807 -0.431 -2.598 1.00 0.00 N ATOM 401 CA LYS A 29 9.942 0.677 -3.587 1.00 0.00 C ATOM 402 C LYS A 29 9.927 0.174 -5.039 1.00 0.00 C ATOM 403 O LYS A 29 10.345 0.871 -5.944 1.00 0.00 O ATOM 404 CB LYS A 29 11.255 1.395 -3.260 1.00 0.00 C ATOM 405 CG LYS A 29 11.161 2.042 -1.861 1.00 0.00 C ATOM 406 CD LYS A 29 12.501 2.722 -1.515 1.00 0.00 C ATOM 407 CE LYS A 29 12.394 3.357 -0.118 1.00 0.00 C ATOM 408 NZ LYS A 29 13.673 4.037 0.229 1.00 0.00 N ATOM 0 H LYS A 29 10.698 -0.832 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 29 9.091 1.354 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.084 0.688 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.460 2.158 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.354 2.775 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.922 1.285 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.310 1.992 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.740 3.483 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.573 4.074 -0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.167 2.591 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.594 4.464 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.447 3.343 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.872 4.780 -0.471 1.00 0.00 H new ATOM 422 N GLY A 30 9.440 -1.026 -5.217 1.00 0.00 N ATOM 423 CA GLY A 30 9.374 -1.629 -6.580 1.00 0.00 C ATOM 424 C GLY A 30 8.061 -1.383 -7.298 1.00 0.00 C ATOM 425 O GLY A 30 7.984 -0.581 -8.208 1.00 0.00 O ATOM 0 H GLY A 30 9.082 -1.619 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.188 -1.228 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.537 -2.704 -6.499 1.00 0.00 H new ATOM 429 N GLY A 31 7.070 -2.105 -6.848 1.00 0.00 N ATOM 430 CA GLY A 31 5.707 -2.001 -7.431 1.00 0.00 C ATOM 431 C GLY A 31 4.645 -2.370 -6.404 1.00 0.00 C ATOM 432 O GLY A 31 4.961 -2.950 -5.383 1.00 0.00 O ATOM 0 H GLY A 31 7.153 -2.776 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.536 -0.985 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.626 -2.660 -8.296 1.00 0.00 H new ATOM 436 N TYR A 32 3.415 -2.018 -6.693 1.00 0.00 N ATOM 437 CA TYR A 32 2.306 -2.338 -5.742 1.00 0.00 C ATOM 438 C TYR A 32 0.894 -2.304 -6.334 1.00 0.00 C ATOM 439 O TYR A 32 0.494 -1.380 -7.017 1.00 0.00 O ATOM 440 CB TYR A 32 2.382 -1.361 -4.557 1.00 0.00 C ATOM 441 CG TYR A 32 2.531 0.068 -5.085 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.436 0.826 -5.442 1.00 0.00 C ATOM 443 CD2 TYR A 32 3.792 0.605 -5.216 1.00 0.00 C ATOM 444 CE1 TYR A 32 1.603 2.102 -5.926 1.00 0.00 C ATOM 445 CE2 TYR A 32 3.958 1.877 -5.696 1.00 0.00 C ATOM 446 CZ TYR A 32 2.867 2.641 -6.058 1.00 0.00 C ATOM 447 OH TYR A 32 3.039 3.920 -6.543 1.00 0.00 O ATOM 0 H TYR A 32 3.133 -1.526 -7.541 1.00 0.00 H new ATOM 0 HA TYR A 32 2.462 -3.374 -5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.483 -1.443 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.227 -1.614 -3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.442 0.415 -5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.656 0.019 -4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.739 2.687 -6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.953 2.286 -5.792 1.00 0.00 H new ATOM 0 HH TYR A 32 2.735 4.568 -5.873 1.00 0.00 H new ATOM 457 N ASP A 33 0.180 -3.349 -6.027 1.00 0.00 N ATOM 458 CA ASP A 33 -1.221 -3.511 -6.495 1.00 0.00 C ATOM 459 C ASP A 33 -2.137 -3.229 -5.296 1.00 0.00 C ATOM 460 O ASP A 33 -1.699 -3.252 -4.163 1.00 0.00 O ATOM 461 CB ASP A 33 -1.388 -4.965 -7.011 1.00 0.00 C ATOM 462 CG ASP A 33 -2.870 -5.390 -7.099 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.616 -4.695 -7.765 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.176 -6.399 -6.485 1.00 0.00 O ATOM 0 H ASP A 33 0.522 -4.120 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.474 -2.827 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.928 -5.054 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.856 -5.647 -6.348 1.00 0.00 H new ATOM 469 N PHE A 34 -3.378 -2.962 -5.592 1.00 0.00 N ATOM 470 CA PHE A 34 -4.393 -2.679 -4.540 1.00 0.00 C ATOM 471 C PHE A 34 -5.685 -3.327 -5.012 1.00 0.00 C ATOM 472 O PHE A 34 -5.895 -3.490 -6.200 1.00 0.00 O ATOM 473 CB PHE A 34 -4.644 -1.162 -4.361 1.00 0.00 C ATOM 474 CG PHE A 34 -5.727 -1.002 -3.265 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.447 -1.327 -1.948 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.997 -0.551 -3.580 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.411 -1.207 -0.968 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.964 -0.430 -2.599 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.675 -0.757 -1.292 1.00 0.00 C ATOM 0 H PHE A 34 -3.740 -2.927 -6.545 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.042 -3.065 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.725 -0.652 -4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.976 -0.714 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.461 -1.679 -1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.235 -0.291 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.176 -1.466 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.951 -0.077 -2.859 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.432 -0.662 -0.527 1.00 0.00 H new ATOM 489 N SER A 35 -6.508 -3.674 -4.057 1.00 0.00 N ATOM 490 CA SER A 35 -7.803 -4.313 -4.394 1.00 0.00 C ATOM 491 C SER A 35 -8.829 -3.878 -3.363 1.00 0.00 C ATOM 492 O SER A 35 -8.740 -4.200 -2.193 1.00 0.00 O ATOM 493 CB SER A 35 -7.629 -5.845 -4.387 1.00 0.00 C ATOM 494 OG SER A 35 -8.914 -6.347 -4.727 1.00 0.00 O ATOM 0 H SER A 35 -6.335 -3.540 -3.061 1.00 0.00 H new ATOM 0 HA SER A 35 -8.141 -4.012 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.875 -6.163 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.308 -6.204 -3.409 1.00 0.00 H new ATOM 0 HG SER A 35 -8.888 -7.326 -4.746 1.00 0.00 H new ATOM 500 N TYR A 36 -9.772 -3.138 -3.882 1.00 0.00 N ATOM 501 CA TYR A 36 -10.886 -2.603 -3.060 1.00 0.00 C ATOM 502 C TYR A 36 -11.875 -3.764 -2.915 1.00 0.00 C ATOM 503 O TYR A 36 -12.485 -4.179 -3.883 1.00 0.00 O ATOM 504 CB TYR A 36 -11.492 -1.419 -3.812 1.00 0.00 C ATOM 505 CG TYR A 36 -12.716 -0.891 -3.051 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.554 -0.047 -1.972 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.993 -1.255 -3.431 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.650 0.425 -1.284 1.00 0.00 C ATOM 509 CE2 TYR A 36 -15.090 -0.782 -2.742 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.925 0.061 -1.662 1.00 0.00 C ATOM 511 OH TYR A 36 -16.018 0.537 -0.969 1.00 0.00 O ATOM 0 H TYR A 36 -9.814 -2.878 -4.867 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.584 -2.247 -2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.751 -0.627 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.781 -1.725 -4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.561 0.246 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -14.134 -1.915 -4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.509 1.086 -0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.084 -1.073 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.839 0.182 -1.370 1.00 0.00 H new ATOM 521 N THR A 37 -11.995 -4.250 -1.708 1.00 0.00 N ATOM 522 CA THR A 37 -12.924 -5.385 -1.427 1.00 0.00 C ATOM 523 C THR A 37 -13.736 -5.018 -0.189 1.00 0.00 C ATOM 524 O THR A 37 -14.934 -4.821 -0.269 1.00 0.00 O ATOM 525 CB THR A 37 -12.081 -6.662 -1.189 1.00 0.00 C ATOM 526 OG1 THR A 37 -11.319 -6.829 -2.379 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.973 -7.914 -1.131 1.00 0.00 C ATOM 0 H THR A 37 -11.483 -3.905 -0.896 1.00 0.00 H new ATOM 0 HA THR A 37 -13.603 -5.573 -2.259 1.00 0.00 H new ATOM 0 HB THR A 37 -11.510 -6.559 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.755 -7.626 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.353 -8.795 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.689 -7.813 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.510 -8.022 -2.074 1.00 0.00 H new ATOM 535 N GLY A 38 -13.049 -4.935 0.922 1.00 0.00 N ATOM 536 CA GLY A 38 -13.723 -4.579 2.201 1.00 0.00 C ATOM 537 C GLY A 38 -14.026 -3.083 2.164 1.00 0.00 C ATOM 538 O GLY A 38 -15.168 -2.679 2.062 1.00 0.00 O ATOM 0 H GLY A 38 -12.045 -5.100 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.642 -5.153 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.083 -4.819 3.050 1.00 0.00 H new ATOM 542 N GLN A 39 -12.968 -2.316 2.247 1.00 0.00 N ATOM 543 CA GLN A 39 -13.074 -0.824 2.229 1.00 0.00 C ATOM 544 C GLN A 39 -11.927 -0.194 1.421 1.00 0.00 C ATOM 545 O GLN A 39 -11.200 -0.873 0.720 1.00 0.00 O ATOM 546 CB GLN A 39 -13.037 -0.292 3.677 1.00 0.00 C ATOM 547 CG GLN A 39 -14.223 -0.843 4.491 1.00 0.00 C ATOM 548 CD GLN A 39 -13.962 -2.273 4.985 1.00 0.00 C ATOM 549 OE1 GLN A 39 -12.839 -2.707 5.161 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.985 -3.043 5.223 1.00 0.00 N ATOM 0 H GLN A 39 -12.015 -2.669 2.328 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.016 -0.552 1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.099 -0.580 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.069 0.797 3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.411 -0.192 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.123 -0.830 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.932 -2.692 5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.839 -3.997 5.553 1.00 0.00 H new ATOM 559 N THR A 40 -11.815 1.104 1.554 1.00 0.00 N ATOM 560 CA THR A 40 -10.766 1.896 0.855 1.00 0.00 C ATOM 561 C THR A 40 -9.409 1.722 1.565 1.00 0.00 C ATOM 562 O THR A 40 -9.250 0.859 2.406 1.00 0.00 O ATOM 563 CB THR A 40 -11.211 3.377 0.863 1.00 0.00 C ATOM 564 OG1 THR A 40 -11.388 3.702 2.233 1.00 0.00 O ATOM 565 CG2 THR A 40 -12.611 3.577 0.257 1.00 0.00 C ATOM 0 H THR A 40 -12.433 1.664 2.141 1.00 0.00 H new ATOM 0 HA THR A 40 -10.643 1.553 -0.172 1.00 0.00 H new ATOM 0 HB THR A 40 -10.479 3.964 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.671 4.637 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.873 4.635 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.612 3.233 -0.777 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.341 3.005 0.830 1.00 0.00 H new ATOM 573 N ALA A 41 -8.473 2.557 1.192 1.00 0.00 N ATOM 574 CA ALA A 41 -7.107 2.509 1.795 1.00 0.00 C ATOM 575 C ALA A 41 -6.395 3.846 1.567 1.00 0.00 C ATOM 576 O ALA A 41 -6.536 4.450 0.521 1.00 0.00 O ATOM 577 CB ALA A 41 -6.310 1.379 1.141 1.00 0.00 C ATOM 0 H ALA A 41 -8.600 3.281 0.484 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.185 2.327 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.312 1.338 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.819 0.430 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.231 1.562 0.069 1.00 0.00 H new ATOM 583 N ALA A 42 -5.653 4.260 2.563 1.00 0.00 N ATOM 584 CA ALA A 42 -4.891 5.548 2.497 1.00 0.00 C ATOM 585 C ALA A 42 -3.391 5.238 2.546 1.00 0.00 C ATOM 586 O ALA A 42 -2.995 4.269 3.157 1.00 0.00 O ATOM 587 CB ALA A 42 -5.316 6.409 3.681 1.00 0.00 C ATOM 0 H ALA A 42 -5.540 3.749 3.439 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.098 6.087 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.774 7.355 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.387 6.603 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.091 5.886 4.611 1.00 0.00 H new ATOM 593 N LEU A 43 -2.604 6.068 1.910 1.00 0.00 N ATOM 594 CA LEU A 43 -1.117 5.873 1.873 1.00 0.00 C ATOM 595 C LEU A 43 -0.392 6.994 2.614 1.00 0.00 C ATOM 596 O LEU A 43 -0.222 8.079 2.094 1.00 0.00 O ATOM 597 CB LEU A 43 -0.668 5.838 0.403 1.00 0.00 C ATOM 598 CG LEU A 43 -1.355 4.672 -0.346 1.00 0.00 C ATOM 599 CD1 LEU A 43 -1.221 4.879 -1.849 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.719 3.327 0.055 1.00 0.00 C ATOM 0 H LEU A 43 -2.934 6.890 1.404 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.867 4.936 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.913 6.783 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.415 5.724 0.350 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.411 4.653 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.706 4.056 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.696 5.819 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.166 4.910 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.214 2.517 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.341 3.336 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.834 3.176 1.128 1.00 0.00 H new ATOM 612 N TYR A 44 0.018 6.684 3.815 1.00 0.00 N ATOM 613 CA TYR A 44 0.741 7.679 4.663 1.00 0.00 C ATOM 614 C TYR A 44 2.248 7.668 4.415 1.00 0.00 C ATOM 615 O TYR A 44 2.836 6.635 4.163 1.00 0.00 O ATOM 616 CB TYR A 44 0.470 7.366 6.132 1.00 0.00 C ATOM 617 CG TYR A 44 -0.942 7.827 6.525 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.069 7.187 6.047 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.096 8.905 7.376 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.324 7.623 6.417 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.353 9.338 7.743 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.474 8.698 7.264 1.00 0.00 C ATOM 623 OH TYR A 44 -4.734 9.129 7.628 1.00 0.00 O ATOM 0 H TYR A 44 -0.119 5.772 4.251 1.00 0.00 H new ATOM 0 HA TYR A 44 0.374 8.671 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.572 6.295 6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.210 7.863 6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.967 6.343 5.381 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.223 9.414 7.758 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.199 7.116 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.458 10.182 8.408 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.655 9.897 8.231 1.00 0.00 H new ATOM 633 N ASN A 45 2.808 8.846 4.504 1.00 0.00 N ATOM 634 CA ASN A 45 4.275 9.045 4.298 1.00 0.00 C ATOM 635 C ASN A 45 5.026 8.952 5.639 1.00 0.00 C ATOM 636 O ASN A 45 6.236 9.082 5.678 1.00 0.00 O ATOM 637 CB ASN A 45 4.463 10.427 3.643 1.00 0.00 C ATOM 638 CG ASN A 45 5.945 10.689 3.348 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.531 11.702 3.922 1.00 0.00 O flip ATOM 640 ND2 ASN A 45 6.579 9.975 2.595 1.00 0.00 N flip ATOM 0 H ASN A 45 2.296 9.702 4.717 1.00 0.00 H new ATOM 0 HA ASN A 45 4.686 8.268 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.888 10.478 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.075 11.203 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.126 9.181 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.564 10.170 2.416 1.00 0.00 H new ATOM 647 N GLN A 46 4.287 8.727 6.698 1.00 0.00 N ATOM 648 CA GLN A 46 4.898 8.616 8.060 1.00 0.00 C ATOM 649 C GLN A 46 4.734 7.194 8.596 1.00 0.00 C ATOM 650 O GLN A 46 3.766 6.522 8.297 1.00 0.00 O ATOM 651 CB GLN A 46 4.207 9.594 9.019 1.00 0.00 C ATOM 652 CG GLN A 46 4.183 11.024 8.437 1.00 0.00 C ATOM 653 CD GLN A 46 5.581 11.531 8.082 1.00 0.00 C ATOM 654 OE1 GLN A 46 6.537 11.366 8.813 1.00 0.00 O ATOM 655 NE2 GLN A 46 5.726 12.160 6.950 1.00 0.00 N ATOM 0 H GLN A 46 3.274 8.614 6.676 1.00 0.00 H new ATOM 0 HA GLN A 46 5.959 8.856 7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.188 9.260 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.727 9.597 9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.556 11.040 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.727 11.700 9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.923 12.298 6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.643 12.514 6.677 1.00 0.00 H new ATOM 664 N ALA A 47 5.703 6.793 9.379 1.00 0.00 N ATOM 665 CA ALA A 47 5.699 5.429 9.989 1.00 0.00 C ATOM 666 C ALA A 47 4.444 5.186 10.832 1.00 0.00 C ATOM 667 O ALA A 47 4.042 6.021 11.620 1.00 0.00 O ATOM 668 CB ALA A 47 6.949 5.282 10.864 1.00 0.00 C ATOM 0 H ALA A 47 6.511 7.364 9.626 1.00 0.00 H new ATOM 0 HA ALA A 47 5.701 4.690 9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.961 4.291 11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.840 5.411 10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.935 6.039 11.648 1.00 0.00 H new ATOM 674 N GLY A 48 3.869 4.031 10.619 1.00 0.00 N ATOM 675 CA GLY A 48 2.633 3.631 11.364 1.00 0.00 C ATOM 676 C GLY A 48 1.467 4.580 11.065 1.00 0.00 C ATOM 677 O GLY A 48 0.615 4.803 11.903 1.00 0.00 O ATOM 0 H GLY A 48 4.206 3.337 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.355 2.613 11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.837 3.629 12.435 1.00 0.00 H new ATOM 681 N CYS A 49 1.486 5.105 9.866 1.00 0.00 N ATOM 682 CA CYS A 49 0.438 6.056 9.379 1.00 0.00 C ATOM 683 C CYS A 49 0.261 7.270 10.310 1.00 0.00 C ATOM 684 O CYS A 49 -0.811 7.839 10.403 1.00 0.00 O ATOM 685 CB CYS A 49 -0.890 5.269 9.235 1.00 0.00 C ATOM 686 SG CYS A 49 -0.823 3.790 8.194 1.00 0.00 S ATOM 0 H CYS A 49 2.213 4.906 9.179 1.00 0.00 H new ATOM 0 HA CYS A 49 0.750 6.464 8.417 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.225 4.975 10.230 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.646 5.941 8.830 1.00 0.00 H new ATOM 691 N SER A 50 1.338 7.626 10.968 1.00 0.00 N ATOM 692 CA SER A 50 1.329 8.788 11.911 1.00 0.00 C ATOM 693 C SER A 50 1.662 10.073 11.123 1.00 0.00 C ATOM 694 O SER A 50 2.631 10.754 11.402 1.00 0.00 O ATOM 695 CB SER A 50 2.375 8.503 13.011 1.00 0.00 C ATOM 696 OG SER A 50 2.250 9.592 13.914 1.00 0.00 O ATOM 0 H SER A 50 2.238 7.152 10.890 1.00 0.00 H new ATOM 0 HA SER A 50 0.353 8.928 12.376 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.180 7.552 13.507 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.381 8.445 12.596 1.00 0.00 H new ATOM 0 HG SER A 50 2.473 10.427 13.452 1.00 0.00 H new ATOM 702 N GLY A 51 0.831 10.358 10.152 1.00 0.00 N ATOM 703 CA GLY A 51 1.027 11.570 9.299 1.00 0.00 C ATOM 704 C GLY A 51 -0.287 11.994 8.648 1.00 0.00 C ATOM 705 O GLY A 51 -1.282 12.206 9.314 1.00 0.00 O ATOM 0 H GLY A 51 0.015 9.795 9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.418 12.387 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.769 11.362 8.528 1.00 0.00 H new ATOM 709 N VAL A 52 -0.222 12.099 7.345 1.00 0.00 N ATOM 710 CA VAL A 52 -1.397 12.498 6.511 1.00 0.00 C ATOM 711 C VAL A 52 -1.360 11.618 5.255 1.00 0.00 C ATOM 712 O VAL A 52 -0.299 11.305 4.750 1.00 0.00 O ATOM 713 CB VAL A 52 -1.282 14.000 6.126 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.494 14.430 5.263 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.249 14.870 7.405 1.00 0.00 C ATOM 0 H VAL A 52 0.626 11.918 6.807 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.335 12.365 7.050 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.363 14.139 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.399 15.484 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.523 13.831 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.414 14.278 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.168 15.921 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.165 14.714 7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.390 14.588 8.014 1.00 0.00 H new ATOM 725 N ALA A 53 -2.525 11.248 4.789 1.00 0.00 N ATOM 726 CA ALA A 53 -2.612 10.390 3.571 1.00 0.00 C ATOM 727 C ALA A 53 -2.274 11.182 2.300 1.00 0.00 C ATOM 728 O ALA A 53 -2.900 12.175 1.986 1.00 0.00 O ATOM 729 CB ALA A 53 -4.020 9.838 3.463 1.00 0.00 C ATOM 0 H ALA A 53 -3.422 11.504 5.201 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.888 9.581 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.097 9.209 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.248 9.246 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.729 10.662 3.386 1.00 0.00 H new ATOM 735 N HIS A 54 -1.275 10.691 1.618 1.00 0.00 N ATOM 736 CA HIS A 54 -0.785 11.307 0.348 1.00 0.00 C ATOM 737 C HIS A 54 -1.700 10.891 -0.809 1.00 0.00 C ATOM 738 O HIS A 54 -2.309 11.717 -1.461 1.00 0.00 O ATOM 739 CB HIS A 54 0.651 10.814 0.104 1.00 0.00 C ATOM 740 CG HIS A 54 1.221 11.337 -1.224 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.650 12.187 -2.014 1.00 0.00 N ATOM 742 CD2 HIS A 54 2.414 11.034 -1.857 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.405 12.401 -3.044 1.00 0.00 C ATOM 744 NE2 HIS A 54 2.513 11.705 -2.987 1.00 0.00 N ATOM 0 H HIS A 54 -0.759 9.857 1.899 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.795 12.395 0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.290 11.138 0.925 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.664 9.724 0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.157 10.347 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.152 13.072 -3.852 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.277 11.687 -3.662 1.00 0.00 H new ATOM 752 N THR A 55 -1.749 9.599 -1.004 1.00 0.00 N ATOM 753 CA THR A 55 -2.580 8.988 -2.086 1.00 0.00 C ATOM 754 C THR A 55 -3.527 7.960 -1.457 1.00 0.00 C ATOM 755 O THR A 55 -3.187 7.348 -0.466 1.00 0.00 O ATOM 756 CB THR A 55 -1.618 8.336 -3.092 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.841 9.415 -3.591 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.350 7.777 -4.327 1.00 0.00 C ATOM 0 H THR A 55 -1.233 8.922 -0.442 1.00 0.00 H new ATOM 0 HA THR A 55 -3.189 9.729 -2.604 1.00 0.00 H new ATOM 0 HB THR A 55 -1.074 7.529 -2.602 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.194 9.077 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.626 7.327 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.070 7.022 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.873 8.586 -4.837 1.00 0.00 H new ATOM 766 N ARG A 56 -4.684 7.796 -2.047 1.00 0.00 N ATOM 767 CA ARG A 56 -5.687 6.816 -1.512 1.00 0.00 C ATOM 768 C ARG A 56 -6.223 5.907 -2.627 1.00 0.00 C ATOM 769 O ARG A 56 -5.807 6.002 -3.766 1.00 0.00 O ATOM 770 CB ARG A 56 -6.855 7.598 -0.868 1.00 0.00 C ATOM 771 CG ARG A 56 -6.332 8.537 0.244 1.00 0.00 C ATOM 772 CD ARG A 56 -7.525 9.266 0.880 1.00 0.00 C ATOM 773 NE ARG A 56 -7.010 10.142 1.976 1.00 0.00 N ATOM 774 CZ ARG A 56 -7.789 11.000 2.590 1.00 0.00 C ATOM 775 NH1 ARG A 56 -9.048 11.113 2.253 1.00 0.00 N ATOM 776 NH2 ARG A 56 -7.275 11.731 3.540 1.00 0.00 N ATOM 0 H ARG A 56 -4.982 8.301 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.200 6.184 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.374 8.180 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.581 6.900 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.794 7.964 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.627 9.258 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.048 9.862 0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.243 8.547 1.274 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.031 10.071 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.431 10.531 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.647 11.783 2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.291 11.627 3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.857 12.407 4.035 1.00 0.00 H new ATOM 790 N PHE A 57 -7.139 5.050 -2.244 1.00 0.00 N ATOM 791 CA PHE A 57 -7.772 4.090 -3.200 1.00 0.00 C ATOM 792 C PHE A 57 -9.266 3.930 -2.897 1.00 0.00 C ATOM 793 O PHE A 57 -9.721 4.195 -1.802 1.00 0.00 O ATOM 794 CB PHE A 57 -7.123 2.699 -3.092 1.00 0.00 C ATOM 795 CG PHE A 57 -5.647 2.716 -3.512 1.00 0.00 C ATOM 796 CD1 PHE A 57 -5.275 3.148 -4.772 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.670 2.291 -2.631 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.949 3.155 -5.147 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.347 2.299 -3.005 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.982 2.730 -4.263 1.00 0.00 C ATOM 0 H PHE A 57 -7.481 4.975 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.629 4.495 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.203 2.341 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.670 1.995 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.030 3.483 -5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.947 1.951 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.668 3.494 -6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.590 1.966 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.942 2.734 -4.554 1.00 0.00 H new ATOM 810 N GLY A 58 -9.965 3.495 -3.911 1.00 0.00 N ATOM 811 CA GLY A 58 -11.441 3.264 -3.834 1.00 0.00 C ATOM 812 C GLY A 58 -11.816 2.097 -4.761 1.00 0.00 C ATOM 813 O GLY A 58 -12.918 1.587 -4.705 1.00 0.00 O ATOM 0 H GLY A 58 -9.560 3.282 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.733 3.039 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.979 4.166 -4.128 1.00 0.00 H new ATOM 817 N SER A 59 -10.868 1.720 -5.584 1.00 0.00 N ATOM 818 CA SER A 59 -11.036 0.602 -6.563 1.00 0.00 C ATOM 819 C SER A 59 -9.653 -0.018 -6.804 1.00 0.00 C ATOM 820 O SER A 59 -8.660 0.686 -6.763 1.00 0.00 O ATOM 821 CB SER A 59 -11.596 1.151 -7.886 1.00 0.00 C ATOM 822 OG SER A 59 -12.862 1.697 -7.538 1.00 0.00 O ATOM 0 H SER A 59 -9.949 2.160 -5.617 1.00 0.00 H new ATOM 0 HA SER A 59 -11.729 -0.145 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.939 1.911 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.695 0.363 -8.632 1.00 0.00 H new ATOM 0 HG SER A 59 -13.287 2.073 -8.337 1.00 0.00 H new ATOM 828 N SER A 60 -9.627 -1.308 -7.044 1.00 0.00 N ATOM 829 CA SER A 60 -8.357 -2.048 -7.300 1.00 0.00 C ATOM 830 C SER A 60 -7.386 -1.270 -8.209 1.00 0.00 C ATOM 831 O SER A 60 -7.699 -0.986 -9.349 1.00 0.00 O ATOM 832 CB SER A 60 -8.717 -3.396 -7.946 1.00 0.00 C ATOM 833 OG SER A 60 -9.665 -3.990 -7.070 1.00 0.00 O ATOM 0 H SER A 60 -10.462 -1.893 -7.073 1.00 0.00 H new ATOM 0 HA SER A 60 -7.841 -2.189 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.136 -3.255 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.835 -4.027 -8.057 1.00 0.00 H new ATOM 0 HG SER A 60 -9.940 -4.860 -7.427 1.00 0.00 H new ATOM 839 N ALA A 61 -6.240 -0.957 -7.658 1.00 0.00 N ATOM 840 CA ALA A 61 -5.185 -0.197 -8.411 1.00 0.00 C ATOM 841 C ALA A 61 -3.933 -1.073 -8.560 1.00 0.00 C ATOM 842 O ALA A 61 -3.138 -1.186 -7.649 1.00 0.00 O ATOM 843 CB ALA A 61 -4.857 1.091 -7.635 1.00 0.00 C ATOM 0 H ALA A 61 -5.983 -1.199 -6.701 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.543 0.066 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.092 1.653 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.757 1.699 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.490 0.834 -6.642 1.00 0.00 H new ATOM 849 N ARG A 62 -3.805 -1.662 -9.724 1.00 0.00 N ATOM 850 CA ARG A 62 -2.654 -2.554 -10.041 1.00 0.00 C ATOM 851 C ARG A 62 -1.403 -1.790 -10.536 1.00 0.00 C ATOM 852 O ARG A 62 -1.049 -1.874 -11.698 1.00 0.00 O ATOM 853 CB ARG A 62 -3.143 -3.560 -11.111 1.00 0.00 C ATOM 854 CG ARG A 62 -4.526 -4.176 -10.738 1.00 0.00 C ATOM 855 CD ARG A 62 -4.517 -5.697 -10.978 1.00 0.00 C ATOM 856 NE ARG A 62 -3.513 -6.304 -10.049 1.00 0.00 N ATOM 857 CZ ARG A 62 -3.532 -7.574 -9.732 1.00 0.00 C ATOM 858 NH1 ARG A 62 -4.439 -8.374 -10.226 1.00 0.00 N ATOM 859 NH2 ARG A 62 -2.619 -8.008 -8.908 1.00 0.00 N ATOM 0 H ARG A 62 -4.473 -1.556 -10.488 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.335 -3.059 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.217 -3.057 -12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.408 -4.357 -11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.754 -3.967 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.311 -3.712 -11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.506 -6.117 -10.798 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.261 -5.918 -12.014 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.789 -5.708 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.144 -8.011 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.442 -9.361 -9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.922 -7.364 -8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.602 -8.991 -8.638 1.00 0.00 H new ATOM 873 N ALA A 63 -0.763 -1.063 -9.649 1.00 0.00 N ATOM 874 CA ALA A 63 0.463 -0.288 -10.042 1.00 0.00 C ATOM 875 C ALA A 63 1.742 -1.115 -9.827 1.00 0.00 C ATOM 876 O ALA A 63 1.702 -2.128 -9.158 1.00 0.00 O ATOM 877 CB ALA A 63 0.526 0.998 -9.204 1.00 0.00 C ATOM 0 H ALA A 63 -1.035 -0.972 -8.670 1.00 0.00 H new ATOM 0 HA ALA A 63 0.400 -0.046 -11.103 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.412 1.569 -9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.365 1.598 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.576 0.741 -8.146 1.00 0.00 H new ATOM 883 N CYS A 64 2.841 -0.675 -10.397 1.00 0.00 N ATOM 884 CA CYS A 64 4.128 -1.424 -10.224 1.00 0.00 C ATOM 885 C CYS A 64 5.351 -0.492 -10.299 1.00 0.00 C ATOM 886 O CYS A 64 6.443 -0.894 -10.650 1.00 0.00 O ATOM 887 CB CYS A 64 4.228 -2.534 -11.307 1.00 0.00 C ATOM 888 SG CYS A 64 2.861 -3.718 -11.283 1.00 0.00 S ATOM 0 H CYS A 64 2.902 0.166 -10.971 1.00 0.00 H new ATOM 0 HA CYS A 64 4.128 -1.874 -9.231 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.270 -2.064 -12.290 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.165 -3.075 -11.172 1.00 0.00 H new ATOM 893 N ASN A 65 5.107 0.746 -9.950 1.00 0.00 N ATOM 894 CA ASN A 65 6.153 1.809 -9.946 1.00 0.00 C ATOM 895 C ASN A 65 6.690 1.949 -8.504 1.00 0.00 C ATOM 896 O ASN A 65 6.102 1.394 -7.597 1.00 0.00 O ATOM 897 CB ASN A 65 5.484 3.094 -10.424 1.00 0.00 C ATOM 898 CG ASN A 65 4.956 2.903 -11.844 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.848 2.234 -11.990 1.00 0.00 O flip ATOM 900 ND2 ASN A 65 5.536 3.350 -12.814 1.00 0.00 N flip ATOM 0 H ASN A 65 4.187 1.073 -9.656 1.00 0.00 H new ATOM 0 HA ASN A 65 6.993 1.576 -10.600 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.666 3.360 -9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.197 3.918 -10.399 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.403 3.873 -12.693 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.155 3.202 -13.749 1.00 0.00 H new ATOM 907 N PRO A 66 7.776 2.663 -8.304 1.00 0.00 N ATOM 908 CA PRO A 66 8.175 3.153 -6.945 1.00 0.00 C ATOM 909 C PRO A 66 7.111 4.113 -6.370 1.00 0.00 C ATOM 910 O PRO A 66 6.124 4.397 -7.021 1.00 0.00 O ATOM 911 CB PRO A 66 9.537 3.833 -7.136 1.00 0.00 C ATOM 912 CG PRO A 66 9.968 3.588 -8.596 1.00 0.00 C ATOM 913 CD PRO A 66 8.744 3.065 -9.368 1.00 0.00 C ATOM 0 HA PRO A 66 8.249 2.342 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.466 4.901 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.272 3.423 -6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.337 4.510 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.783 2.865 -8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.325 3.835 -10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.007 2.221 -10.005 1.00 0.00 H new ATOM 921 N PHE A 67 7.342 4.582 -5.166 1.00 0.00 N ATOM 922 CA PHE A 67 6.370 5.521 -4.517 1.00 0.00 C ATOM 923 C PHE A 67 7.032 6.460 -3.492 1.00 0.00 C ATOM 924 O PHE A 67 8.196 6.788 -3.625 1.00 0.00 O ATOM 925 CB PHE A 67 5.257 4.659 -3.855 1.00 0.00 C ATOM 926 CG PHE A 67 5.729 3.641 -2.779 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.871 3.797 -2.001 1.00 0.00 C ATOM 928 CD2 PHE A 67 4.952 2.514 -2.571 1.00 0.00 C ATOM 929 CE1 PHE A 67 7.212 2.860 -1.052 1.00 0.00 C ATOM 930 CE2 PHE A 67 5.293 1.580 -1.624 1.00 0.00 C ATOM 931 CZ PHE A 67 6.422 1.754 -0.864 1.00 0.00 C ATOM 0 H PHE A 67 8.162 4.355 -4.604 1.00 0.00 H new ATOM 0 HA PHE A 67 5.951 6.180 -5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.530 5.330 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.735 4.111 -4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.498 4.664 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.062 2.367 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.102 2.995 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.672 0.708 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.689 1.020 -0.118 1.00 0.00 H new ATOM 941 N GLY A 68 6.268 6.863 -2.502 1.00 0.00 N ATOM 942 CA GLY A 68 6.783 7.773 -1.438 1.00 0.00 C ATOM 943 C GLY A 68 5.905 7.671 -0.182 1.00 0.00 C ATOM 944 O GLY A 68 5.490 8.681 0.355 1.00 0.00 O ATOM 0 H GLY A 68 5.291 6.592 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.813 7.512 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.793 8.801 -1.801 1.00 0.00 H new ATOM 948 N TRP A 69 5.650 6.455 0.244 1.00 0.00 N ATOM 949 CA TRP A 69 4.806 6.221 1.464 1.00 0.00 C ATOM 950 C TRP A 69 5.571 5.306 2.431 1.00 0.00 C ATOM 951 O TRP A 69 6.246 4.389 2.005 1.00 0.00 O ATOM 952 CB TRP A 69 3.480 5.544 1.066 1.00 0.00 C ATOM 953 CG TRP A 69 2.805 6.347 -0.055 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.455 7.671 -0.020 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.466 5.850 -1.276 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.936 7.897 -1.202 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.897 6.873 -2.028 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.594 4.577 -1.821 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.459 6.626 -3.325 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.155 4.324 -3.117 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.588 5.350 -3.874 1.00 0.00 C ATOM 0 H TRP A 69 5.993 5.606 -0.205 1.00 0.00 H new ATOM 0 HA TRP A 69 4.589 7.176 1.943 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.667 4.523 0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.819 5.481 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.578 8.369 0.795 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.582 8.816 -1.467 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.035 3.783 -1.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.019 7.422 -3.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.253 3.334 -3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.250 5.157 -4.881 1.00 0.00 H new ATOM 972 N LYS A 70 5.438 5.583 3.705 1.00 0.00 N ATOM 973 CA LYS A 70 6.124 4.776 4.758 1.00 0.00 C ATOM 974 C LYS A 70 5.165 3.686 5.246 1.00 0.00 C ATOM 975 O LYS A 70 5.602 2.697 5.803 1.00 0.00 O ATOM 976 CB LYS A 70 6.507 5.707 5.933 1.00 0.00 C ATOM 977 CG LYS A 70 7.503 5.040 6.920 1.00 0.00 C ATOM 978 CD LYS A 70 8.992 5.241 6.513 1.00 0.00 C ATOM 979 CE LYS A 70 9.325 4.655 5.129 1.00 0.00 C ATOM 980 NZ LYS A 70 10.789 4.760 4.875 1.00 0.00 N ATOM 0 H LYS A 70 4.871 6.351 4.065 1.00 0.00 H new ATOM 0 HA LYS A 70 7.025 4.313 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.949 6.622 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.605 5.996 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.347 5.450 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.289 3.973 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.222 6.306 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.633 4.775 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.012 3.612 5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.773 5.189 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.008 4.363 3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.075 5.759 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.307 4.231 5.606 1.00 0.00 H new ATOM 994 N SER A 71 3.891 3.904 5.018 1.00 0.00 N ATOM 995 CA SER A 71 2.844 2.927 5.442 1.00 0.00 C ATOM 996 C SER A 71 1.516 3.150 4.706 1.00 0.00 C ATOM 997 O SER A 71 1.375 4.054 3.904 1.00 0.00 O ATOM 998 CB SER A 71 2.625 3.059 6.969 1.00 0.00 C ATOM 999 OG SER A 71 2.293 4.423 7.165 1.00 0.00 O ATOM 0 H SER A 71 3.529 4.733 4.547 1.00 0.00 H new ATOM 0 HA SER A 71 3.190 1.925 5.190 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.826 2.403 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.523 2.786 7.524 1.00 0.00 H new ATOM 0 HG SER A 71 3.092 4.917 7.444 1.00 0.00 H new ATOM 1005 N ILE A 72 0.586 2.288 5.032 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.776 2.323 4.431 1.00 0.00 C ATOM 1007 C ILE A 72 -1.838 2.015 5.490 1.00 0.00 C ATOM 1008 O ILE A 72 -1.800 0.991 6.143 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.816 1.285 3.275 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.252 1.181 2.690 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.326 -0.114 3.770 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.235 0.347 1.421 1.00 0.00 C ATOM 0 H ILE A 72 0.723 1.540 5.711 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.993 3.317 4.040 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.143 1.624 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.921 0.730 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.640 2.177 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.362 -0.825 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.698 -0.033 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.972 -0.461 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.245 0.279 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.581 0.816 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.867 -0.653 1.648 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.751 2.941 5.610 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.873 2.828 6.582 1.00 0.00 C ATOM 1026 C PHE A 73 -5.059 2.154 5.862 1.00 0.00 C ATOM 1027 O PHE A 73 -5.943 2.816 5.350 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.197 4.260 7.062 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.396 4.306 8.028 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.442 3.511 9.160 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.452 5.164 7.770 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.521 3.572 10.017 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.529 5.225 8.626 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.567 4.430 9.750 1.00 0.00 C ATOM 0 H PHE A 73 -2.764 3.797 5.056 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.631 2.219 7.453 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.321 4.680 7.556 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.408 4.890 6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.626 2.837 9.374 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.431 5.790 6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.547 2.947 10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.347 5.898 8.415 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.413 4.478 10.420 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.028 0.843 5.846 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.106 0.040 5.185 1.00 0.00 C ATOM 1046 C ILE A 74 -7.384 0.197 6.020 1.00 0.00 C ATOM 1047 O ILE A 74 -7.374 -0.066 7.208 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.699 -1.460 5.143 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.364 -1.698 4.381 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.835 -2.305 4.496 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.528 -1.550 2.856 1.00 0.00 C ATOM 0 H ILE A 74 -4.287 0.285 6.271 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.264 0.388 4.164 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.543 -1.776 6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.615 -0.989 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.991 -2.696 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.539 -3.354 4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.747 -2.199 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.015 -1.955 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.569 -1.725 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.256 -2.277 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.875 -0.543 2.623 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.444 0.620 5.382 1.00 0.00 N ATOM 1064 CA GLN A 75 -9.729 0.797 6.117 1.00 0.00 C ATOM 1065 C GLN A 75 -10.362 -0.541 6.481 1.00 0.00 C ATOM 1066 O GLN A 75 -10.410 -1.462 5.688 1.00 0.00 O ATOM 1067 CB GLN A 75 -10.675 1.595 5.247 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.166 3.033 5.196 1.00 0.00 C ATOM 1069 CD GLN A 75 -10.466 3.755 6.516 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -9.701 3.715 7.458 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -11.579 4.428 6.617 1.00 0.00 N ATOM 0 H GLN A 75 -8.475 0.849 4.389 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.528 1.324 7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.721 1.171 4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.686 1.562 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.093 3.039 5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.638 3.563 4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.226 4.465 5.829 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.802 4.917 7.484 1.00 0.00 H new ATOM 1080 N CYS A 76 -10.824 -0.579 7.701 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.481 -1.798 8.251 1.00 0.00 C ATOM 1082 C CYS A 76 -12.995 -1.806 7.959 1.00 0.00 C ATOM 1083 O CYS A 76 -13.526 -0.730 7.739 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.254 -1.836 9.761 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.438 -3.476 10.493 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.537 -2.901 7.973 1.00 0.00 O ATOM 0 H CYS A 76 -10.772 0.203 8.354 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.045 -2.675 7.773 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.252 -1.464 9.976 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.957 -1.155 10.241 1.00 0.00 H new