USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 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 54 HIS :FLIP no HD1:sc= 0.354 F(o=-0.34,f=0.69) USER MOD Set 1.2: A 55 THR OG1 : rot 85:sc= 0.336 USER MOD Set 2.1: A 18 TYR OH : rot 172:sc= 0.188 USER MOD Set 2.2: A 28 GLN :FLIP amide:sc= -1.3! C(o=-3.9!,f=-1.1!) USER MOD Set 3.1: A 7 SER OG : rot -9:sc= 0.759 USER MOD Set 3.2: A 13 ASN : amide:sc= -7.54! C(o=-6.8!,f=-13!) USER MOD Set 4.1: A 1 SER OG : rot 94:sc= 0.396 USER MOD Set 4.2: A 39 GLN : amide:sc= -2.1 K(o=-1.7,f=-3.2) USER MOD Single : A 1 SER N :NH3+ -171:sc= -0.06 (180deg=-0.611) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.871 X(o=-0.87,f=-0.38) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 129:sc= 0.334 USER MOD Single : A 27 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 86:sc= 0.54 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00481 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.00497 USER MOD Single : A 45 ASN : amide:sc= -0.743 K(o=-0.74,f=-6.2!) USER MOD Single : A 46 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.48) USER MOD Single : A 50 SER OG : rot -62:sc= 0.178 USER MOD Single : A 59 SER OG : rot 180:sc= -0.136 USER MOD Single : A 60 SER OG : rot -128:sc= -0.474 USER MOD Single : A 65 ASN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.0677 (180deg=-0.448) USER MOD Single : A 71 SER OG : rot 110:sc= 1.07 USER MOD Single : A 75 GLN : amide:sc= 0.724 K(o=0.72,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.459 -2.584 1.139 1.00 0.00 N ATOM 2 CA SER A 1 -8.658 -3.933 1.730 1.00 0.00 C ATOM 3 C SER A 1 -7.351 -4.735 1.659 1.00 0.00 C ATOM 4 O SER A 1 -7.050 -5.472 2.579 1.00 0.00 O ATOM 5 CB SER A 1 -9.769 -4.667 0.959 1.00 0.00 C ATOM 6 OG SER A 1 -9.973 -5.871 1.685 1.00 0.00 O ATOM 0 H1 SER A 1 -9.296 -1.996 1.326 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.621 -2.139 1.564 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.320 -2.672 0.112 1.00 0.00 H new ATOM 0 HA SER A 1 -8.949 -3.831 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.681 -4.071 0.915 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.470 -4.870 -0.069 1.00 0.00 H new ATOM 0 HG SER A 1 -10.704 -5.747 2.325 1.00 0.00 H new ATOM 11 N ALA A 2 -6.612 -4.575 0.584 1.00 0.00 N ATOM 12 CA ALA A 2 -5.323 -5.323 0.446 1.00 0.00 C ATOM 13 C ALA A 2 -4.335 -4.669 -0.524 1.00 0.00 C ATOM 14 O ALA A 2 -4.524 -4.687 -1.727 1.00 0.00 O ATOM 15 CB ALA A 2 -5.631 -6.761 -0.022 1.00 0.00 C ATOM 0 H ALA A 2 -6.845 -3.963 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.842 -5.317 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.699 -7.317 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.267 -7.254 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.144 -6.729 -0.983 1.00 0.00 H new ATOM 21 N PHE A 3 -3.305 -4.104 0.059 1.00 0.00 N ATOM 22 CA PHE A 3 -2.234 -3.422 -0.723 1.00 0.00 C ATOM 23 C PHE A 3 -1.050 -4.375 -0.936 1.00 0.00 C ATOM 24 O PHE A 3 -0.171 -4.477 -0.100 1.00 0.00 O ATOM 25 CB PHE A 3 -1.841 -2.191 0.076 1.00 0.00 C ATOM 26 CG PHE A 3 -0.818 -1.286 -0.639 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.156 -0.650 -1.817 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.443 -1.080 -0.106 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.257 0.178 -2.453 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.344 -0.250 -0.745 1.00 0.00 C ATOM 31 CZ PHE A 3 0.995 0.380 -1.918 1.00 0.00 C ATOM 0 H PHE A 3 -3.162 -4.089 1.069 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.574 -3.130 -1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.737 -1.609 0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.426 -2.508 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.136 -0.803 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.724 -1.571 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.535 0.670 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.326 -0.095 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.700 1.029 -2.416 1.00 0.00 H new ATOM 41 N THR A 4 -1.070 -5.051 -2.059 1.00 0.00 N ATOM 42 CA THR A 4 0.030 -6.011 -2.388 1.00 0.00 C ATOM 43 C THR A 4 1.228 -5.164 -2.823 1.00 0.00 C ATOM 44 O THR A 4 1.035 -4.107 -3.388 1.00 0.00 O ATOM 45 CB THR A 4 -0.423 -6.935 -3.534 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.579 -7.588 -3.027 1.00 0.00 O ATOM 47 CG2 THR A 4 0.588 -8.077 -3.764 1.00 0.00 C ATOM 0 H THR A 4 -1.803 -4.979 -2.764 1.00 0.00 H new ATOM 0 HA THR A 4 0.290 -6.638 -1.535 1.00 0.00 H new ATOM 0 HB THR A 4 -0.554 -6.358 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.933 -8.200 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.240 -8.712 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.560 -7.656 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.679 -8.671 -2.855 1.00 0.00 H new ATOM 55 N VAL A 5 2.419 -5.639 -2.552 1.00 0.00 N ATOM 56 CA VAL A 5 3.647 -4.874 -2.942 1.00 0.00 C ATOM 57 C VAL A 5 4.811 -5.841 -3.237 1.00 0.00 C ATOM 58 O VAL A 5 5.057 -6.744 -2.461 1.00 0.00 O ATOM 59 CB VAL A 5 4.072 -3.893 -1.775 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.891 -3.020 -1.302 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.597 -4.638 -0.527 1.00 0.00 C ATOM 0 H VAL A 5 2.595 -6.524 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 5 3.420 -4.298 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 5 4.865 -3.281 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.224 -2.361 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.524 -2.421 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.089 -3.661 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.873 -3.914 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.818 -5.296 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.471 -5.231 -0.798 1.00 0.00 H new ATOM 71 N TRP A 6 5.495 -5.648 -4.340 1.00 0.00 N ATOM 72 CA TRP A 6 6.642 -6.525 -4.698 1.00 0.00 C ATOM 73 C TRP A 6 7.898 -5.692 -4.379 1.00 0.00 C ATOM 74 O TRP A 6 7.840 -4.476 -4.431 1.00 0.00 O ATOM 75 CB TRP A 6 6.566 -6.862 -6.190 1.00 0.00 C ATOM 76 CG TRP A 6 5.329 -7.708 -6.512 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.323 -9.065 -6.665 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.059 -7.257 -6.698 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.076 -9.363 -6.930 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.236 -8.351 -6.972 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.521 -5.974 -6.660 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.880 -8.151 -7.205 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.170 -5.787 -6.896 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.358 -6.879 -7.167 1.00 0.00 C ATOM 0 H TRP A 6 5.300 -4.907 -5.014 1.00 0.00 H new ATOM 0 HA TRP A 6 6.648 -7.469 -4.152 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.539 -5.940 -6.771 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.465 -7.401 -6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.161 -9.742 -6.585 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.773 -10.323 -7.094 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.156 -5.127 -6.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.237 -8.993 -7.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.749 -4.793 -6.869 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.304 -6.729 -7.350 1.00 0.00 H new ATOM 95 N SER A 7 8.993 -6.342 -4.063 1.00 0.00 N ATOM 96 CA SER A 7 10.251 -5.583 -3.737 1.00 0.00 C ATOM 97 C SER A 7 10.806 -4.798 -4.943 1.00 0.00 C ATOM 98 O SER A 7 11.700 -3.987 -4.790 1.00 0.00 O ATOM 99 CB SER A 7 11.318 -6.582 -3.228 1.00 0.00 C ATOM 100 OG SER A 7 11.573 -7.453 -4.320 1.00 0.00 O ATOM 0 H SER A 7 9.074 -7.358 -4.016 1.00 0.00 H new ATOM 0 HA SER A 7 10.007 -4.849 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.226 -6.063 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.956 -7.135 -2.361 1.00 0.00 H new ATOM 0 HG SER A 7 10.921 -7.284 -5.032 1.00 0.00 H new ATOM 106 N GLY A 8 10.250 -5.065 -6.098 1.00 0.00 N ATOM 107 CA GLY A 8 10.669 -4.388 -7.363 1.00 0.00 C ATOM 108 C GLY A 8 11.427 -5.337 -8.301 1.00 0.00 C ATOM 109 O GLY A 8 11.934 -6.349 -7.857 1.00 0.00 O ATOM 0 H GLY A 8 9.500 -5.745 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.788 -4.000 -7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.302 -3.533 -7.124 1.00 0.00 H new ATOM 113 N PRO A 9 11.502 -4.991 -9.570 1.00 0.00 N ATOM 114 CA PRO A 9 11.242 -3.622 -10.116 1.00 0.00 C ATOM 115 C PRO A 9 9.742 -3.296 -10.147 1.00 0.00 C ATOM 116 O PRO A 9 9.300 -2.335 -9.546 1.00 0.00 O ATOM 117 CB PRO A 9 11.872 -3.620 -11.511 1.00 0.00 C ATOM 118 CG PRO A 9 12.139 -5.093 -11.886 1.00 0.00 C ATOM 119 CD PRO A 9 11.861 -5.961 -10.644 1.00 0.00 C ATOM 0 HA PRO A 9 11.676 -2.845 -9.488 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.205 -3.152 -12.235 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.799 -3.047 -11.515 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.499 -5.397 -12.714 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.170 -5.221 -12.217 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.049 -6.665 -10.828 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.737 -6.549 -10.369 1.00 0.00 H new ATOM 127 N GLY A 10 9.018 -4.123 -10.856 1.00 0.00 N ATOM 128 CA GLY A 10 7.543 -3.949 -10.986 1.00 0.00 C ATOM 129 C GLY A 10 6.838 -4.994 -10.124 1.00 0.00 C ATOM 130 O GLY A 10 7.181 -5.176 -8.971 1.00 0.00 O ATOM 0 H GLY A 10 9.396 -4.926 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.254 -2.946 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.242 -4.056 -12.028 1.00 0.00 H new ATOM 134 N CYS A 11 5.873 -5.642 -10.724 1.00 0.00 N ATOM 135 CA CYS A 11 5.081 -6.699 -10.027 1.00 0.00 C ATOM 136 C CYS A 11 5.473 -8.052 -10.646 1.00 0.00 C ATOM 137 O CYS A 11 4.713 -8.646 -11.390 1.00 0.00 O ATOM 138 CB CYS A 11 3.596 -6.415 -10.248 1.00 0.00 C ATOM 139 SG CYS A 11 2.876 -4.841 -9.724 1.00 0.00 S ATOM 0 H CYS A 11 5.595 -5.478 -11.692 1.00 0.00 H new ATOM 0 HA CYS A 11 5.279 -6.714 -8.955 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.404 -6.517 -11.316 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.039 -7.207 -9.747 1.00 0.00 H new ATOM 144 N ASN A 12 6.658 -8.506 -10.322 1.00 0.00 N ATOM 145 CA ASN A 12 7.149 -9.816 -10.874 1.00 0.00 C ATOM 146 C ASN A 12 7.908 -10.596 -9.800 1.00 0.00 C ATOM 147 O ASN A 12 7.654 -11.758 -9.549 1.00 0.00 O ATOM 148 CB ASN A 12 8.076 -9.523 -12.063 1.00 0.00 C ATOM 149 CG ASN A 12 7.316 -8.733 -13.136 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.776 -9.286 -14.074 1.00 0.00 O ATOM 151 ND2 ASN A 12 7.253 -7.433 -13.029 1.00 0.00 N ATOM 0 H ASN A 12 7.310 -8.029 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 12 6.302 -10.420 -11.198 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.944 -8.955 -11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.449 -10.457 -12.483 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.753 -6.887 -13.730 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.704 -6.963 -12.244 1.00 0.00 H new ATOM 158 N ASN A 13 8.829 -9.878 -9.222 1.00 0.00 N ATOM 159 CA ASN A 13 9.734 -10.351 -8.140 1.00 0.00 C ATOM 160 C ASN A 13 9.001 -10.893 -6.887 1.00 0.00 C ATOM 161 O ASN A 13 7.844 -11.259 -6.949 1.00 0.00 O ATOM 162 CB ASN A 13 10.625 -9.148 -7.811 1.00 0.00 C ATOM 163 CG ASN A 13 9.721 -8.016 -7.308 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.692 -7.753 -6.127 1.00 0.00 O ATOM 165 ND2 ASN A 13 8.974 -7.331 -8.141 1.00 0.00 N ATOM 0 H ASN A 13 9.000 -8.906 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 13 10.307 -11.214 -8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.361 -9.414 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.179 -8.830 -8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.375 -6.583 -7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.993 -7.546 -9.138 1.00 0.00 H new ATOM 172 N ARG A 14 9.705 -10.933 -5.781 1.00 0.00 N ATOM 173 CA ARG A 14 9.110 -11.433 -4.495 1.00 0.00 C ATOM 174 C ARG A 14 8.080 -10.408 -3.982 1.00 0.00 C ATOM 175 O ARG A 14 7.976 -9.337 -4.551 1.00 0.00 O ATOM 176 CB ARG A 14 10.259 -11.634 -3.479 1.00 0.00 C ATOM 177 CG ARG A 14 11.021 -10.306 -3.242 1.00 0.00 C ATOM 178 CD ARG A 14 12.246 -10.557 -2.347 1.00 0.00 C ATOM 179 NE ARG A 14 11.785 -11.127 -1.042 1.00 0.00 N ATOM 180 CZ ARG A 14 12.616 -11.724 -0.224 1.00 0.00 C ATOM 181 NH1 ARG A 14 13.882 -11.839 -0.525 1.00 0.00 N ATOM 182 NH2 ARG A 14 12.139 -12.197 0.894 1.00 0.00 N ATOM 0 H ARG A 14 10.679 -10.637 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 14 8.595 -12.383 -4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.856 -12.001 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.948 -12.393 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.337 -9.883 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.361 -9.577 -2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.935 -11.245 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.789 -9.626 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 14 10.801 -11.049 -0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.233 -11.462 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.519 -12.306 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.147 -12.096 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.758 -12.668 1.554 1.00 0.00 H new ATOM 196 N ALA A 15 7.351 -10.739 -2.940 1.00 0.00 N ATOM 197 CA ALA A 15 6.333 -9.764 -2.422 1.00 0.00 C ATOM 198 C ALA A 15 5.934 -9.912 -0.946 1.00 0.00 C ATOM 199 O ALA A 15 6.381 -10.782 -0.225 1.00 0.00 O ATOM 200 CB ALA A 15 5.072 -9.886 -3.297 1.00 0.00 C ATOM 0 H ALA A 15 7.413 -11.623 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 15 6.809 -8.785 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.314 -9.187 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.323 -9.654 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.684 -10.903 -3.237 1.00 0.00 H new ATOM 206 N GLU A 16 5.071 -8.994 -0.591 1.00 0.00 N ATOM 207 CA GLU A 16 4.477 -8.854 0.770 1.00 0.00 C ATOM 208 C GLU A 16 3.086 -8.246 0.543 1.00 0.00 C ATOM 209 O GLU A 16 2.935 -7.392 -0.309 1.00 0.00 O ATOM 210 CB GLU A 16 5.374 -7.911 1.609 1.00 0.00 C ATOM 211 CG GLU A 16 4.710 -7.535 2.960 1.00 0.00 C ATOM 212 CD GLU A 16 4.347 -8.790 3.775 1.00 0.00 C ATOM 213 OE1 GLU A 16 5.277 -9.491 4.141 1.00 0.00 O ATOM 214 OE2 GLU A 16 3.159 -8.976 3.986 1.00 0.00 O ATOM 0 H GLU A 16 4.733 -8.286 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 16 4.403 -9.799 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.333 -8.394 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.580 -7.004 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.388 -6.907 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.811 -6.947 2.774 1.00 0.00 H new ATOM 221 N ARG A 17 2.112 -8.692 1.296 1.00 0.00 N ATOM 222 CA ARG A 17 0.727 -8.149 1.135 1.00 0.00 C ATOM 223 C ARG A 17 0.234 -7.538 2.449 1.00 0.00 C ATOM 224 O ARG A 17 0.326 -8.147 3.498 1.00 0.00 O ATOM 225 CB ARG A 17 -0.216 -9.290 0.697 1.00 0.00 C ATOM 226 CG ARG A 17 -1.647 -8.731 0.465 1.00 0.00 C ATOM 227 CD ARG A 17 -2.589 -9.863 0.023 1.00 0.00 C ATOM 228 NE ARG A 17 -2.116 -10.392 -1.294 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.663 -11.450 -1.842 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.644 -12.076 -1.246 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.203 -11.853 -2.994 1.00 0.00 N ATOM 0 H ARG A 17 2.215 -9.408 2.015 1.00 0.00 H new ATOM 0 HA ARG A 17 0.735 -7.367 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.157 -9.751 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.239 -10.068 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.020 -8.273 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.622 -7.950 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.600 -10.658 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.611 -9.493 -0.063 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.351 -9.919 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.990 -11.742 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.063 -12.898 -1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.439 -11.348 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.608 -12.673 -3.446 1.00 0.00 H new ATOM 245 N TYR A 18 -0.277 -6.340 2.321 1.00 0.00 N ATOM 246 CA TYR A 18 -0.812 -5.589 3.492 1.00 0.00 C ATOM 247 C TYR A 18 -2.344 -5.640 3.449 1.00 0.00 C ATOM 248 O TYR A 18 -3.020 -4.655 3.218 1.00 0.00 O ATOM 249 CB TYR A 18 -0.288 -4.137 3.414 1.00 0.00 C ATOM 250 CG TYR A 18 1.224 -4.144 3.688 1.00 0.00 C ATOM 251 CD1 TYR A 18 1.686 -4.099 4.989 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.141 -4.199 2.656 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.039 -4.107 5.256 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.493 -4.207 2.927 1.00 0.00 C ATOM 255 CZ TYR A 18 3.951 -4.162 4.225 1.00 0.00 C ATOM 256 OH TYR A 18 5.306 -4.177 4.484 1.00 0.00 O ATOM 0 H TYR A 18 -0.346 -5.842 1.433 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.484 -6.028 4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.492 -3.714 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.801 -3.510 4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.980 -4.057 5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.797 -4.236 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.385 -4.070 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.201 -4.249 2.112 1.00 0.00 H new ATOM 0 HH TYR A 18 5.796 -4.341 3.652 1.00 0.00 H new ATOM 266 N SER A 19 -2.831 -6.835 3.676 1.00 0.00 N ATOM 267 CA SER A 19 -4.306 -7.094 3.683 1.00 0.00 C ATOM 268 C SER A 19 -4.879 -6.822 5.077 1.00 0.00 C ATOM 269 O SER A 19 -6.080 -6.735 5.253 1.00 0.00 O ATOM 270 CB SER A 19 -4.543 -8.555 3.266 1.00 0.00 C ATOM 271 OG SER A 19 -3.779 -9.333 4.177 1.00 0.00 O ATOM 0 H SER A 19 -2.258 -7.658 3.860 1.00 0.00 H new ATOM 0 HA SER A 19 -4.811 -6.431 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.601 -8.813 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.224 -8.727 2.238 1.00 0.00 H new ATOM 0 HG SER A 19 -3.888 -10.284 3.966 1.00 0.00 H new ATOM 277 N LYS A 20 -3.983 -6.696 6.022 1.00 0.00 N ATOM 278 CA LYS A 20 -4.349 -6.424 7.440 1.00 0.00 C ATOM 279 C LYS A 20 -5.136 -5.104 7.512 1.00 0.00 C ATOM 280 O LYS A 20 -4.677 -4.077 7.052 1.00 0.00 O ATOM 281 CB LYS A 20 -3.023 -6.378 8.240 1.00 0.00 C ATOM 282 CG LYS A 20 -2.033 -5.325 7.653 1.00 0.00 C ATOM 283 CD LYS A 20 -0.620 -5.486 8.264 1.00 0.00 C ATOM 284 CE LYS A 20 0.035 -6.804 7.803 1.00 0.00 C ATOM 285 NZ LYS A 20 1.434 -6.866 8.312 1.00 0.00 N ATOM 0 H LYS A 20 -2.979 -6.774 5.860 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.993 -7.194 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.234 -6.138 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.556 -7.363 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.979 -5.436 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.406 -4.320 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.005 -4.643 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.686 -5.470 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.536 -7.656 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.029 -6.865 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.877 -7.754 8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.975 -6.060 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.427 -6.827 9.351 1.00 0.00 H new ATOM 299 N CYS A 21 -6.309 -5.183 8.090 1.00 0.00 N ATOM 300 CA CYS A 21 -7.173 -3.972 8.219 1.00 0.00 C ATOM 301 C CYS A 21 -6.542 -2.996 9.226 1.00 0.00 C ATOM 302 O CYS A 21 -6.283 -3.355 10.358 1.00 0.00 O ATOM 303 CB CYS A 21 -8.579 -4.425 8.685 1.00 0.00 C ATOM 304 SG CYS A 21 -9.027 -4.338 10.437 1.00 0.00 S ATOM 0 H CYS A 21 -6.706 -6.038 8.479 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.262 -3.456 7.263 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.309 -3.832 8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.707 -5.460 8.369 1.00 0.00 H new ATOM 309 N GLY A 22 -6.313 -1.790 8.766 1.00 0.00 N ATOM 310 CA GLY A 22 -5.701 -0.726 9.625 1.00 0.00 C ATOM 311 C GLY A 22 -4.387 -0.220 9.016 1.00 0.00 C ATOM 312 O GLY A 22 -4.079 -0.508 7.875 1.00 0.00 O ATOM 0 H GLY A 22 -6.528 -1.492 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.399 0.104 9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.515 -1.121 10.624 1.00 0.00 H new ATOM 316 N CYS A 23 -3.652 0.524 9.809 1.00 0.00 N ATOM 317 CA CYS A 23 -2.347 1.081 9.335 1.00 0.00 C ATOM 318 C CYS A 23 -1.220 0.045 9.357 1.00 0.00 C ATOM 319 O CYS A 23 -1.181 -0.813 10.217 1.00 0.00 O ATOM 320 CB CYS A 23 -1.941 2.266 10.216 1.00 0.00 C ATOM 321 SG CYS A 23 -0.387 3.062 9.744 1.00 0.00 S ATOM 0 H CYS A 23 -3.902 0.769 10.767 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.494 1.395 8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.737 3.010 10.190 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.859 1.923 11.247 1.00 0.00 H new ATOM 326 N SER A 24 -0.339 0.168 8.395 1.00 0.00 N ATOM 327 CA SER A 24 0.821 -0.770 8.286 1.00 0.00 C ATOM 328 C SER A 24 1.936 -0.153 7.432 1.00 0.00 C ATOM 329 O SER A 24 1.678 0.346 6.355 1.00 0.00 O ATOM 330 CB SER A 24 0.339 -2.088 7.655 1.00 0.00 C ATOM 331 OG SER A 24 -0.204 -1.730 6.391 1.00 0.00 O ATOM 0 H SER A 24 -0.375 0.887 7.672 1.00 0.00 H new ATOM 0 HA SER A 24 1.224 -0.962 9.281 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.163 -2.793 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.411 -2.571 8.281 1.00 0.00 H new ATOM 0 HG SER A 24 0.188 -2.297 5.694 1.00 0.00 H new ATOM 337 N ALA A 25 3.143 -0.210 7.934 1.00 0.00 N ATOM 338 CA ALA A 25 4.312 0.361 7.196 1.00 0.00 C ATOM 339 C ALA A 25 4.793 -0.575 6.080 1.00 0.00 C ATOM 340 O ALA A 25 4.863 -1.775 6.262 1.00 0.00 O ATOM 341 CB ALA A 25 5.449 0.603 8.194 1.00 0.00 C ATOM 0 H ALA A 25 3.372 -0.632 8.834 1.00 0.00 H new ATOM 0 HA ALA A 25 4.005 1.296 6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.310 1.020 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.117 1.303 8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.730 -0.341 8.661 1.00 0.00 H new ATOM 347 N ILE A 26 5.109 0.023 4.955 1.00 0.00 N ATOM 348 CA ILE A 26 5.595 -0.755 3.771 1.00 0.00 C ATOM 349 C ILE A 26 7.118 -0.584 3.700 1.00 0.00 C ATOM 350 O ILE A 26 7.632 0.463 4.047 1.00 0.00 O ATOM 351 CB ILE A 26 4.944 -0.212 2.457 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.410 0.006 2.654 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.174 -1.228 1.317 1.00 0.00 C ATOM 354 CD1 ILE A 26 3.147 1.487 2.971 1.00 0.00 C ATOM 0 H ILE A 26 5.050 1.030 4.806 1.00 0.00 H new ATOM 0 HA ILE A 26 5.324 -1.806 3.874 1.00 0.00 H new ATOM 0 HB ILE A 26 5.404 0.743 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.870 -0.287 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.042 -0.623 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.722 -0.853 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.244 -1.367 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.719 -2.182 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.077 1.645 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.676 1.763 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.501 2.104 2.145 1.00 0.00 H new ATOM 366 N HIS A 27 7.788 -1.617 3.253 1.00 0.00 N ATOM 367 CA HIS A 27 9.282 -1.579 3.137 1.00 0.00 C ATOM 368 C HIS A 27 9.704 -1.943 1.706 1.00 0.00 C ATOM 369 O HIS A 27 10.783 -1.596 1.266 1.00 0.00 O ATOM 370 CB HIS A 27 9.866 -2.584 4.143 1.00 0.00 C ATOM 371 CG HIS A 27 11.318 -2.211 4.468 1.00 0.00 C ATOM 372 ND1 HIS A 27 11.706 -1.715 5.597 1.00 0.00 N ATOM 373 CD2 HIS A 27 12.479 -2.294 3.717 1.00 0.00 C ATOM 374 CE1 HIS A 27 12.981 -1.504 5.567 1.00 0.00 C ATOM 375 NE2 HIS A 27 13.504 -1.850 4.417 1.00 0.00 N ATOM 0 H HIS A 27 7.360 -2.495 2.960 1.00 0.00 H new ATOM 0 HA HIS A 27 9.655 -0.579 3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.269 -2.588 5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.824 -3.592 3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.536 -2.668 2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.546 -1.092 6.390 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.481 -1.790 4.129 1.00 0.00 H new ATOM 383 N GLN A 28 8.826 -2.636 1.028 1.00 0.00 N ATOM 384 CA GLN A 28 9.082 -3.073 -0.377 1.00 0.00 C ATOM 385 C GLN A 28 8.953 -1.884 -1.332 1.00 0.00 C ATOM 386 O GLN A 28 7.863 -1.491 -1.696 1.00 0.00 O ATOM 387 CB GLN A 28 8.066 -4.169 -0.747 1.00 0.00 C ATOM 388 CG GLN A 28 8.326 -5.465 0.058 1.00 0.00 C ATOM 389 CD GLN A 28 8.095 -5.280 1.571 1.00 0.00 C ATOM 390 OE1 GLN A 28 7.020 -4.675 2.000 1.00 0.00 O flip ATOM 391 NE2 GLN A 28 8.900 -5.691 2.384 1.00 0.00 N flip ATOM 0 H GLN A 28 7.921 -2.924 1.399 1.00 0.00 H new ATOM 0 HA GLN A 28 10.094 -3.468 -0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.055 -3.813 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.128 -4.382 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.672 -6.255 -0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.351 -5.794 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.746 -6.166 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.730 -5.561 3.381 1.00 0.00 H new ATOM 400 N LYS A 29 10.093 -1.359 -1.697 1.00 0.00 N ATOM 401 CA LYS A 29 10.179 -0.194 -2.621 1.00 0.00 C ATOM 402 C LYS A 29 10.266 -0.677 -4.079 1.00 0.00 C ATOM 403 O LYS A 29 11.242 -0.450 -4.768 1.00 0.00 O ATOM 404 CB LYS A 29 11.423 0.617 -2.219 1.00 0.00 C ATOM 405 CG LYS A 29 11.224 1.225 -0.814 1.00 0.00 C ATOM 406 CD LYS A 29 12.482 2.026 -0.423 1.00 0.00 C ATOM 407 CE LYS A 29 12.301 2.595 0.994 1.00 0.00 C ATOM 408 NZ LYS A 29 13.510 3.377 1.379 1.00 0.00 N ATOM 0 H LYS A 29 10.999 -1.704 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 29 9.290 0.432 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.304 -0.025 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.601 1.410 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.349 1.874 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.041 0.435 -0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.362 1.384 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.648 2.835 -1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.417 3.232 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.139 1.784 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.385 3.760 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.345 2.757 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.645 4.160 0.708 1.00 0.00 H new ATOM 422 N GLY A 30 9.216 -1.339 -4.492 1.00 0.00 N ATOM 423 CA GLY A 30 9.136 -1.879 -5.884 1.00 0.00 C ATOM 424 C GLY A 30 7.828 -1.471 -6.548 1.00 0.00 C ATOM 425 O GLY A 30 7.666 -0.330 -6.934 1.00 0.00 O ATOM 0 H GLY A 30 8.397 -1.532 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.977 -1.510 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.214 -2.966 -5.862 1.00 0.00 H new ATOM 429 N GLY A 31 6.941 -2.427 -6.655 1.00 0.00 N ATOM 430 CA GLY A 31 5.603 -2.196 -7.282 1.00 0.00 C ATOM 431 C GLY A 31 4.503 -2.503 -6.262 1.00 0.00 C ATOM 432 O GLY A 31 4.800 -3.021 -5.204 1.00 0.00 O ATOM 0 H GLY A 31 7.092 -3.381 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.522 -1.163 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.487 -2.830 -8.161 1.00 0.00 H new ATOM 436 N TYR A 32 3.272 -2.173 -6.584 1.00 0.00 N ATOM 437 CA TYR A 32 2.149 -2.450 -5.629 1.00 0.00 C ATOM 438 C TYR A 32 0.741 -2.453 -6.245 1.00 0.00 C ATOM 439 O TYR A 32 0.363 -1.535 -6.946 1.00 0.00 O ATOM 440 CB TYR A 32 2.214 -1.414 -4.483 1.00 0.00 C ATOM 441 CG TYR A 32 2.357 0.012 -5.022 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.265 0.745 -5.435 1.00 0.00 C ATOM 443 CD2 TYR A 32 3.610 0.580 -5.096 1.00 0.00 C ATOM 444 CE1 TYR A 32 1.425 2.023 -5.919 1.00 0.00 C ATOM 445 CE2 TYR A 32 3.767 1.856 -5.578 1.00 0.00 C ATOM 446 CZ TYR A 32 2.680 2.590 -5.994 1.00 0.00 C ATOM 447 OH TYR A 32 2.853 3.870 -6.480 1.00 0.00 O ATOM 0 H TYR A 32 2.998 -1.727 -7.460 1.00 0.00 H new ATOM 0 HA TYR A 32 2.299 -3.470 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.312 -1.485 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.057 -1.644 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.277 0.313 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.474 0.018 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.562 2.586 -6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.755 2.289 -5.631 1.00 0.00 H new ATOM 0 HH TYR A 32 2.725 4.516 -5.754 1.00 0.00 H new ATOM 457 N ASP A 33 0.002 -3.496 -5.953 1.00 0.00 N ATOM 458 CA ASP A 33 -1.389 -3.643 -6.479 1.00 0.00 C ATOM 459 C ASP A 33 -2.419 -3.601 -5.350 1.00 0.00 C ATOM 460 O ASP A 33 -2.559 -4.550 -4.602 1.00 0.00 O ATOM 461 CB ASP A 33 -1.526 -4.995 -7.233 1.00 0.00 C ATOM 462 CG ASP A 33 -0.830 -5.001 -8.614 1.00 0.00 C ATOM 463 OD1 ASP A 33 0.028 -4.168 -8.841 1.00 0.00 O ATOM 464 OD2 ASP A 33 -1.210 -5.865 -9.386 1.00 0.00 O ATOM 0 H ASP A 33 0.312 -4.266 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.578 -2.810 -7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.104 -5.790 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.584 -5.223 -7.366 1.00 0.00 H new ATOM 469 N PHE A 34 -3.112 -2.496 -5.260 1.00 0.00 N ATOM 470 CA PHE A 34 -4.149 -2.346 -4.201 1.00 0.00 C ATOM 471 C PHE A 34 -5.431 -3.053 -4.648 1.00 0.00 C ATOM 472 O PHE A 34 -5.649 -3.260 -5.826 1.00 0.00 O ATOM 473 CB PHE A 34 -4.452 -0.857 -3.965 1.00 0.00 C ATOM 474 CG PHE A 34 -5.510 -0.760 -2.849 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.169 -1.037 -1.539 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.813 -0.406 -3.143 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.112 -0.965 -0.540 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.757 -0.332 -2.141 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.407 -0.611 -0.841 1.00 0.00 C ATOM 0 H PHE A 34 -3.003 -1.690 -5.876 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.780 -2.788 -3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.545 -0.324 -3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.819 -0.393 -4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.153 -1.312 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.093 -0.186 -4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.836 -1.186 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.773 -0.054 -2.378 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.148 -0.552 -0.057 1.00 0.00 H new ATOM 489 N SER A 35 -6.229 -3.394 -3.669 1.00 0.00 N ATOM 490 CA SER A 35 -7.523 -4.086 -3.926 1.00 0.00 C ATOM 491 C SER A 35 -8.569 -3.563 -2.946 1.00 0.00 C ATOM 492 O SER A 35 -8.348 -3.519 -1.751 1.00 0.00 O ATOM 493 CB SER A 35 -7.343 -5.597 -3.735 1.00 0.00 C ATOM 494 OG SER A 35 -6.350 -5.955 -4.685 1.00 0.00 O ATOM 0 H SER A 35 -6.032 -3.217 -2.684 1.00 0.00 H new ATOM 0 HA SER A 35 -7.850 -3.892 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.026 -5.835 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.275 -6.134 -3.912 1.00 0.00 H new ATOM 0 HG SER A 35 -6.173 -6.917 -4.626 1.00 0.00 H new ATOM 500 N TYR A 36 -9.678 -3.182 -3.518 1.00 0.00 N ATOM 501 CA TYR A 36 -10.836 -2.638 -2.750 1.00 0.00 C ATOM 502 C TYR A 36 -11.973 -3.665 -2.849 1.00 0.00 C ATOM 503 O TYR A 36 -12.099 -4.329 -3.861 1.00 0.00 O ATOM 504 CB TYR A 36 -11.256 -1.315 -3.386 1.00 0.00 C ATOM 505 CG TYR A 36 -12.447 -0.711 -2.628 1.00 0.00 C ATOM 506 CD1 TYR A 36 -13.743 -1.052 -2.963 1.00 0.00 C ATOM 507 CD2 TYR A 36 -12.235 0.182 -1.597 1.00 0.00 C ATOM 508 CE1 TYR A 36 -14.810 -0.510 -2.278 1.00 0.00 C ATOM 509 CE2 TYR A 36 -13.303 0.723 -0.915 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.596 0.382 -1.248 1.00 0.00 C ATOM 511 OH TYR A 36 -15.659 0.929 -0.559 1.00 0.00 O ATOM 0 H TYR A 36 -9.835 -3.227 -4.525 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.584 -2.463 -1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.419 -0.617 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.525 -1.475 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -13.922 -1.749 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.227 0.458 -1.324 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.818 -0.785 -2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -13.125 1.422 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.323 1.535 0.134 1.00 0.00 H new ATOM 521 N THR A 37 -12.767 -3.773 -1.812 1.00 0.00 N ATOM 522 CA THR A 37 -13.901 -4.756 -1.845 1.00 0.00 C ATOM 523 C THR A 37 -14.898 -4.431 -0.730 1.00 0.00 C ATOM 524 O THR A 37 -16.089 -4.628 -0.876 1.00 0.00 O ATOM 525 CB THR A 37 -13.318 -6.197 -1.678 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.446 -7.061 -1.695 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.667 -6.427 -0.301 1.00 0.00 C ATOM 0 H THR A 37 -12.683 -3.231 -0.952 1.00 0.00 H new ATOM 0 HA THR A 37 -14.430 -4.696 -2.796 1.00 0.00 H new ATOM 0 HB THR A 37 -12.572 -6.362 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.148 -7.989 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.281 -7.445 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.848 -5.721 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.410 -6.278 0.482 1.00 0.00 H new ATOM 535 N GLY A 38 -14.353 -3.943 0.350 1.00 0.00 N ATOM 536 CA GLY A 38 -15.168 -3.566 1.537 1.00 0.00 C ATOM 537 C GLY A 38 -14.402 -2.552 2.387 1.00 0.00 C ATOM 538 O GLY A 38 -14.960 -1.991 3.311 1.00 0.00 O ATOM 0 H GLY A 38 -13.351 -3.786 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.120 -3.142 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.397 -4.452 2.129 1.00 0.00 H new ATOM 542 N GLN A 39 -13.147 -2.348 2.053 1.00 0.00 N ATOM 543 CA GLN A 39 -12.305 -1.379 2.815 1.00 0.00 C ATOM 544 C GLN A 39 -11.540 -0.394 1.925 1.00 0.00 C ATOM 545 O GLN A 39 -10.904 -0.778 0.963 1.00 0.00 O ATOM 546 CB GLN A 39 -11.285 -2.136 3.678 1.00 0.00 C ATOM 547 CG GLN A 39 -11.990 -2.928 4.800 1.00 0.00 C ATOM 548 CD GLN A 39 -12.701 -4.178 4.265 1.00 0.00 C ATOM 549 OE1 GLN A 39 -12.229 -4.855 3.372 1.00 0.00 O ATOM 550 NE2 GLN A 39 -13.846 -4.520 4.788 1.00 0.00 N ATOM 0 H GLN A 39 -12.672 -2.815 1.281 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.998 -0.802 3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.709 -2.818 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.578 -1.431 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.257 -3.222 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.715 -2.284 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.252 -3.960 5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.335 -5.348 4.447 1.00 0.00 H new ATOM 559 N THR A 40 -11.641 0.857 2.302 1.00 0.00 N ATOM 560 CA THR A 40 -10.962 1.969 1.563 1.00 0.00 C ATOM 561 C THR A 40 -9.504 2.008 2.050 1.00 0.00 C ATOM 562 O THR A 40 -9.148 1.283 2.960 1.00 0.00 O ATOM 563 CB THR A 40 -11.690 3.301 1.888 1.00 0.00 C ATOM 564 OG1 THR A 40 -13.063 3.036 1.636 1.00 0.00 O ATOM 565 CG2 THR A 40 -11.357 4.423 0.877 1.00 0.00 C ATOM 0 H THR A 40 -12.180 1.162 3.113 1.00 0.00 H new ATOM 0 HA THR A 40 -10.989 1.820 0.484 1.00 0.00 H new ATOM 0 HB THR A 40 -11.417 3.610 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.591 3.840 1.823 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.893 5.331 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.284 4.617 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.659 4.113 -0.123 1.00 0.00 H new ATOM 573 N ALA A 41 -8.698 2.839 1.440 1.00 0.00 N ATOM 574 CA ALA A 41 -7.266 2.941 1.854 1.00 0.00 C ATOM 575 C ALA A 41 -6.730 4.365 1.726 1.00 0.00 C ATOM 576 O ALA A 41 -7.265 5.185 1.005 1.00 0.00 O ATOM 577 CB ALA A 41 -6.431 2.002 0.984 1.00 0.00 C ATOM 0 H ALA A 41 -8.970 3.452 0.672 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.197 2.659 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.384 2.069 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.780 0.978 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.533 2.289 -0.063 1.00 0.00 H new ATOM 583 N ALA A 42 -5.669 4.586 2.457 1.00 0.00 N ATOM 584 CA ALA A 42 -4.976 5.908 2.487 1.00 0.00 C ATOM 585 C ALA A 42 -3.478 5.616 2.550 1.00 0.00 C ATOM 586 O ALA A 42 -3.079 4.646 3.161 1.00 0.00 O ATOM 587 CB ALA A 42 -5.437 6.675 3.726 1.00 0.00 C ATOM 0 H ALA A 42 -5.240 3.879 3.055 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.203 6.514 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.938 7.644 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.516 6.824 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.186 6.105 4.621 1.00 0.00 H new ATOM 593 N LEU A 43 -2.692 6.455 1.926 1.00 0.00 N ATOM 594 CA LEU A 43 -1.208 6.258 1.920 1.00 0.00 C ATOM 595 C LEU A 43 -0.476 7.397 2.621 1.00 0.00 C ATOM 596 O LEU A 43 -0.200 8.428 2.038 1.00 0.00 O ATOM 597 CB LEU A 43 -0.747 6.147 0.458 1.00 0.00 C ATOM 598 CG LEU A 43 -1.250 4.822 -0.159 1.00 0.00 C ATOM 599 CD1 LEU A 43 -1.187 4.891 -1.680 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.396 3.647 0.349 1.00 0.00 C ATOM 0 H LEU A 43 -3.016 7.276 1.415 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.970 5.348 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.127 6.992 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.341 6.191 0.407 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.286 4.666 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.544 3.952 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.815 5.709 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.157 5.062 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.758 2.718 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.644 3.803 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.469 3.587 1.435 1.00 0.00 H new ATOM 612 N TYR A 44 -0.180 7.153 3.869 1.00 0.00 N ATOM 613 CA TYR A 44 0.536 8.163 4.697 1.00 0.00 C ATOM 614 C TYR A 44 2.054 8.059 4.531 1.00 0.00 C ATOM 615 O TYR A 44 2.626 6.986 4.530 1.00 0.00 O ATOM 616 CB TYR A 44 0.136 7.941 6.151 1.00 0.00 C ATOM 617 CG TYR A 44 -1.336 8.348 6.320 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.655 9.679 6.489 1.00 0.00 C ATOM 619 CD2 TYR A 44 -2.354 7.416 6.303 1.00 0.00 C ATOM 620 CE1 TYR A 44 -2.966 10.077 6.640 1.00 0.00 C ATOM 621 CE2 TYR A 44 -3.666 7.817 6.454 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.981 9.148 6.622 1.00 0.00 C ATOM 623 OH TYR A 44 -5.295 9.542 6.772 1.00 0.00 O ATOM 0 H TYR A 44 -0.407 6.286 4.355 1.00 0.00 H new ATOM 0 HA TYR A 44 0.257 9.165 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.274 6.895 6.426 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.770 8.531 6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.868 10.419 6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.123 6.369 6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.198 11.123 6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.455 7.079 6.440 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.879 8.756 6.733 1.00 0.00 H new ATOM 633 N ASN A 45 2.641 9.219 4.396 1.00 0.00 N ATOM 634 CA ASN A 45 4.119 9.345 4.219 1.00 0.00 C ATOM 635 C ASN A 45 4.827 9.404 5.582 1.00 0.00 C ATOM 636 O ASN A 45 6.027 9.599 5.642 1.00 0.00 O ATOM 637 CB ASN A 45 4.397 10.628 3.410 1.00 0.00 C ATOM 638 CG ASN A 45 3.585 10.599 2.105 1.00 0.00 C ATOM 639 OD1 ASN A 45 2.373 10.685 2.112 1.00 0.00 O ATOM 640 ND2 ASN A 45 4.209 10.481 0.965 1.00 0.00 N ATOM 0 H ASN A 45 2.143 10.109 4.401 1.00 0.00 H new ATOM 0 HA ASN A 45 4.505 8.475 3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.129 11.506 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.461 10.706 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.680 10.462 0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.226 10.408 0.946 1.00 0.00 H new ATOM 647 N GLN A 46 4.061 9.233 6.633 1.00 0.00 N ATOM 648 CA GLN A 46 4.620 9.268 8.021 1.00 0.00 C ATOM 649 C GLN A 46 4.462 7.910 8.705 1.00 0.00 C ATOM 650 O GLN A 46 3.542 7.165 8.426 1.00 0.00 O ATOM 651 CB GLN A 46 3.882 10.332 8.844 1.00 0.00 C ATOM 652 CG GLN A 46 3.981 11.725 8.181 1.00 0.00 C ATOM 653 CD GLN A 46 5.429 12.197 8.027 1.00 0.00 C ATOM 654 OE1 GLN A 46 6.303 11.889 8.814 1.00 0.00 O ATOM 655 NE2 GLN A 46 5.711 12.959 7.009 1.00 0.00 N ATOM 0 H GLN A 46 3.056 9.068 6.586 1.00 0.00 H new ATOM 0 HA GLN A 46 5.681 9.510 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.834 10.051 8.949 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.303 10.374 9.848 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.506 11.692 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.427 12.449 8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.979 13.218 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.664 13.296 6.873 1.00 0.00 H new ATOM 664 N ALA A 47 5.389 7.651 9.591 1.00 0.00 N ATOM 665 CA ALA A 47 5.409 6.375 10.368 1.00 0.00 C ATOM 666 C ALA A 47 4.108 6.173 11.150 1.00 0.00 C ATOM 667 O ALA A 47 3.626 7.076 11.809 1.00 0.00 O ATOM 668 CB ALA A 47 6.593 6.404 11.344 1.00 0.00 C ATOM 0 H ALA A 47 6.153 8.288 9.814 1.00 0.00 H new ATOM 0 HA ALA A 47 5.511 5.546 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.616 5.476 11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.523 6.509 10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.482 7.248 12.025 1.00 0.00 H new ATOM 674 N GLY A 48 3.586 4.980 11.037 1.00 0.00 N ATOM 675 CA GLY A 48 2.316 4.623 11.743 1.00 0.00 C ATOM 676 C GLY A 48 1.154 5.511 11.285 1.00 0.00 C ATOM 677 O GLY A 48 0.248 5.795 12.046 1.00 0.00 O ATOM 0 H GLY A 48 3.989 4.227 10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.074 3.577 11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.454 4.728 12.819 1.00 0.00 H new ATOM 681 N CYS A 49 1.235 5.917 10.041 1.00 0.00 N ATOM 682 CA CYS A 49 0.201 6.789 9.404 1.00 0.00 C ATOM 683 C CYS A 49 -0.059 8.099 10.172 1.00 0.00 C ATOM 684 O CYS A 49 -1.155 8.630 10.154 1.00 0.00 O ATOM 685 CB CYS A 49 -1.098 5.953 9.271 1.00 0.00 C ATOM 686 SG CYS A 49 -0.931 4.410 8.341 1.00 0.00 S ATOM 0 H CYS A 49 2.005 5.669 9.420 1.00 0.00 H new ATOM 0 HA CYS A 49 0.568 7.106 8.428 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.463 5.718 10.271 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.859 6.568 8.790 1.00 0.00 H new ATOM 691 N SER A 50 0.974 8.578 10.822 1.00 0.00 N ATOM 692 CA SER A 50 0.878 9.845 11.615 1.00 0.00 C ATOM 693 C SER A 50 1.250 11.038 10.710 1.00 0.00 C ATOM 694 O SER A 50 2.182 11.774 10.978 1.00 0.00 O ATOM 695 CB SER A 50 1.838 9.710 12.816 1.00 0.00 C ATOM 696 OG SER A 50 1.630 10.892 13.576 1.00 0.00 O ATOM 0 H SER A 50 1.894 8.138 10.837 1.00 0.00 H new ATOM 0 HA SER A 50 -0.133 10.020 11.983 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.617 8.818 13.402 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.874 9.627 12.488 1.00 0.00 H new ATOM 0 HG SER A 50 1.875 11.674 13.038 1.00 0.00 H new ATOM 702 N GLY A 51 0.493 11.185 9.650 1.00 0.00 N ATOM 703 CA GLY A 51 0.729 12.294 8.673 1.00 0.00 C ATOM 704 C GLY A 51 -0.516 12.562 7.832 1.00 0.00 C ATOM 705 O GLY A 51 -1.630 12.403 8.293 1.00 0.00 O ATOM 0 H GLY A 51 -0.290 10.574 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.011 13.200 9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.563 12.036 8.021 1.00 0.00 H new ATOM 709 N VAL A 52 -0.264 12.966 6.612 1.00 0.00 N ATOM 710 CA VAL A 52 -1.327 13.279 5.625 1.00 0.00 C ATOM 711 C VAL A 52 -1.291 12.211 4.519 1.00 0.00 C ATOM 712 O VAL A 52 -0.228 11.762 4.131 1.00 0.00 O ATOM 713 CB VAL A 52 -1.051 14.685 5.053 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.233 15.744 6.162 1.00 0.00 C ATOM 715 CG2 VAL A 52 0.386 14.803 4.479 1.00 0.00 C ATOM 0 H VAL A 52 0.681 13.095 6.251 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.316 13.273 6.082 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.760 14.853 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.037 16.736 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.254 15.703 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.536 15.542 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.540 15.808 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.111 14.608 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.518 14.076 3.678 1.00 0.00 H new ATOM 725 N ALA A 53 -2.452 11.835 4.047 1.00 0.00 N ATOM 726 CA ALA A 53 -2.526 10.802 2.970 1.00 0.00 C ATOM 727 C ALA A 53 -2.230 11.431 1.603 1.00 0.00 C ATOM 728 O ALA A 53 -2.924 12.328 1.164 1.00 0.00 O ATOM 729 CB ALA A 53 -3.927 10.186 2.962 1.00 0.00 C ATOM 0 H ALA A 53 -3.352 12.199 4.361 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.782 10.029 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.988 9.431 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.126 9.723 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.666 10.965 2.774 1.00 0.00 H new ATOM 735 N HIS A 54 -1.194 10.932 0.979 1.00 0.00 N ATOM 736 CA HIS A 54 -0.773 11.434 -0.364 1.00 0.00 C ATOM 737 C HIS A 54 -1.659 10.821 -1.459 1.00 0.00 C ATOM 738 O HIS A 54 -1.980 11.483 -2.428 1.00 0.00 O ATOM 739 CB HIS A 54 0.702 11.045 -0.577 1.00 0.00 C ATOM 740 CG HIS A 54 1.153 11.431 -1.990 1.00 0.00 C ATOM 741 ND1 HIS A 54 1.328 10.652 -3.122 1.00 0.00 N flip ATOM 742 CD2 HIS A 54 1.462 12.625 -2.373 1.00 0.00 C flip ATOM 743 CE1 HIS A 54 1.729 11.400 -4.130 1.00 0.00 C flip ATOM 744 NE2 HIS A 54 1.798 12.608 -3.624 1.00 0.00 N flip ATOM 0 H HIS A 54 -0.611 10.183 1.351 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.882 12.517 -0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.328 11.546 0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.828 9.973 -0.427 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.443 13.504 -1.746 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.950 11.090 -5.141 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.082 13.434 -4.151 1.00 0.00 H new ATOM 752 N THR A 55 -2.025 9.577 -1.266 1.00 0.00 N ATOM 753 CA THR A 55 -2.889 8.866 -2.258 1.00 0.00 C ATOM 754 C THR A 55 -3.831 7.895 -1.534 1.00 0.00 C ATOM 755 O THR A 55 -3.417 7.153 -0.665 1.00 0.00 O ATOM 756 CB THR A 55 -1.967 8.110 -3.247 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.264 9.128 -3.945 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.768 7.375 -4.342 1.00 0.00 C ATOM 0 H THR A 55 -1.759 9.019 -0.455 1.00 0.00 H new ATOM 0 HA THR A 55 -3.506 9.578 -2.806 1.00 0.00 H new ATOM 0 HB THR A 55 -1.358 7.394 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.476 9.395 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.080 6.859 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.436 6.649 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.355 8.097 -4.910 1.00 0.00 H new ATOM 766 N ARG A 56 -5.079 7.938 -1.926 1.00 0.00 N ATOM 767 CA ARG A 56 -6.126 7.056 -1.322 1.00 0.00 C ATOM 768 C ARG A 56 -6.715 6.157 -2.414 1.00 0.00 C ATOM 769 O ARG A 56 -6.768 6.552 -3.563 1.00 0.00 O ATOM 770 CB ARG A 56 -7.239 7.932 -0.710 1.00 0.00 C ATOM 771 CG ARG A 56 -6.677 8.780 0.453 1.00 0.00 C ATOM 772 CD ARG A 56 -7.788 9.694 1.001 1.00 0.00 C ATOM 773 NE ARG A 56 -7.240 10.444 2.177 1.00 0.00 N ATOM 774 CZ ARG A 56 -7.375 10.013 3.409 1.00 0.00 C ATOM 775 NH1 ARG A 56 -8.003 8.896 3.669 1.00 0.00 N ATOM 776 NH2 ARG A 56 -6.864 10.735 4.366 1.00 0.00 N ATOM 0 H ARG A 56 -5.424 8.561 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.685 6.437 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.659 8.585 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.051 7.301 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.302 8.130 1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.835 9.379 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.124 10.388 0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.655 9.103 1.297 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.745 11.321 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.398 8.344 2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.098 8.577 4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.378 11.604 4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.950 10.431 5.336 1.00 0.00 H new ATOM 790 N PHE A 57 -7.139 4.980 -2.022 1.00 0.00 N ATOM 791 CA PHE A 57 -7.737 4.020 -3.002 1.00 0.00 C ATOM 792 C PHE A 57 -9.149 3.607 -2.579 1.00 0.00 C ATOM 793 O PHE A 57 -9.387 3.249 -1.441 1.00 0.00 O ATOM 794 CB PHE A 57 -6.902 2.739 -3.106 1.00 0.00 C ATOM 795 CG PHE A 57 -5.454 2.971 -3.566 1.00 0.00 C ATOM 796 CD1 PHE A 57 -5.148 3.773 -4.653 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.427 2.346 -2.885 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.836 3.943 -5.046 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.120 2.515 -3.278 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.821 3.313 -4.358 1.00 0.00 C ATOM 0 H PHE A 57 -7.096 4.642 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.761 4.536 -3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.889 2.246 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.388 2.056 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.940 4.268 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.653 1.718 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.604 4.571 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.327 2.020 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.794 3.445 -4.666 1.00 0.00 H new ATOM 810 N GLY A 58 -10.030 3.677 -3.541 1.00 0.00 N ATOM 811 CA GLY A 58 -11.466 3.311 -3.348 1.00 0.00 C ATOM 812 C GLY A 58 -11.810 2.176 -4.328 1.00 0.00 C ATOM 813 O GLY A 58 -12.917 1.674 -4.334 1.00 0.00 O ATOM 0 H GLY A 58 -9.805 3.984 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.642 2.992 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.106 4.175 -3.528 1.00 0.00 H new ATOM 817 N SER A 59 -10.831 1.819 -5.127 1.00 0.00 N ATOM 818 CA SER A 59 -10.964 0.737 -6.152 1.00 0.00 C ATOM 819 C SER A 59 -9.566 0.157 -6.423 1.00 0.00 C ATOM 820 O SER A 59 -8.609 0.905 -6.488 1.00 0.00 O ATOM 821 CB SER A 59 -11.534 1.318 -7.456 1.00 0.00 C ATOM 822 OG SER A 59 -12.821 1.806 -7.107 1.00 0.00 O ATOM 0 H SER A 59 -9.908 2.253 -5.107 1.00 0.00 H new ATOM 0 HA SER A 59 -11.637 -0.039 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.900 2.116 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.598 0.556 -8.233 1.00 0.00 H new ATOM 0 HG SER A 59 -13.248 2.197 -7.898 1.00 0.00 H new ATOM 828 N SER A 60 -9.491 -1.148 -6.564 1.00 0.00 N ATOM 829 CA SER A 60 -8.203 -1.863 -6.839 1.00 0.00 C ATOM 830 C SER A 60 -7.278 -1.080 -7.794 1.00 0.00 C ATOM 831 O SER A 60 -7.654 -0.798 -8.916 1.00 0.00 O ATOM 832 CB SER A 60 -8.525 -3.236 -7.459 1.00 0.00 C ATOM 833 OG SER A 60 -9.453 -3.837 -6.567 1.00 0.00 O ATOM 0 H SER A 60 -10.299 -1.766 -6.497 1.00 0.00 H new ATOM 0 HA SER A 60 -7.673 -1.968 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.951 -3.128 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.626 -3.843 -7.560 1.00 0.00 H new ATOM 0 HG SER A 60 -9.140 -4.733 -6.324 1.00 0.00 H new ATOM 839 N ALA A 61 -6.104 -0.760 -7.311 1.00 0.00 N ATOM 840 CA ALA A 61 -5.102 0.004 -8.130 1.00 0.00 C ATOM 841 C ALA A 61 -3.851 -0.861 -8.359 1.00 0.00 C ATOM 842 O ALA A 61 -2.904 -0.801 -7.599 1.00 0.00 O ATOM 843 CB ALA A 61 -4.745 1.301 -7.370 1.00 0.00 C ATOM 0 H ALA A 61 -5.789 -0.998 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.517 0.258 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.018 1.872 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.645 1.899 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.320 1.048 -6.399 1.00 0.00 H new ATOM 849 N ARG A 62 -3.893 -1.638 -9.414 1.00 0.00 N ATOM 850 CA ARG A 62 -2.760 -2.544 -9.775 1.00 0.00 C ATOM 851 C ARG A 62 -1.520 -1.830 -10.362 1.00 0.00 C ATOM 852 O ARG A 62 -1.219 -1.961 -11.534 1.00 0.00 O ATOM 853 CB ARG A 62 -3.308 -3.585 -10.768 1.00 0.00 C ATOM 854 CG ARG A 62 -4.370 -4.463 -10.065 1.00 0.00 C ATOM 855 CD ARG A 62 -4.783 -5.615 -10.994 1.00 0.00 C ATOM 856 NE ARG A 62 -3.577 -6.467 -11.238 1.00 0.00 N ATOM 857 CZ ARG A 62 -3.640 -7.573 -11.936 1.00 0.00 C ATOM 858 NH1 ARG A 62 -4.773 -7.971 -12.449 1.00 0.00 N ATOM 859 NH2 ARG A 62 -2.540 -8.254 -12.098 1.00 0.00 N ATOM 0 H ARG A 62 -4.685 -1.682 -10.055 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.394 -3.003 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.748 -3.084 -11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.496 -4.208 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.969 -4.860 -9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.241 -3.861 -9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.580 -6.204 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.171 -5.225 -11.935 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.680 -6.178 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.619 -7.419 -12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.812 -8.834 -12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.668 -7.920 -11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.551 -9.121 -12.636 1.00 0.00 H new ATOM 873 N ALA A 63 -0.837 -1.094 -9.521 1.00 0.00 N ATOM 874 CA ALA A 63 0.389 -0.346 -9.956 1.00 0.00 C ATOM 875 C ALA A 63 1.681 -1.162 -9.770 1.00 0.00 C ATOM 876 O ALA A 63 1.700 -2.132 -9.043 1.00 0.00 O ATOM 877 CB ALA A 63 0.479 0.952 -9.145 1.00 0.00 C ATOM 0 H ALA A 63 -1.078 -0.977 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 63 0.297 -0.140 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.365 1.510 -9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.410 1.557 -9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.546 0.714 -8.083 1.00 0.00 H new ATOM 883 N CYS A 64 2.738 -0.757 -10.431 1.00 0.00 N ATOM 884 CA CYS A 64 4.033 -1.500 -10.295 1.00 0.00 C ATOM 885 C CYS A 64 5.210 -0.522 -10.430 1.00 0.00 C ATOM 886 O CYS A 64 6.247 -0.830 -10.984 1.00 0.00 O ATOM 887 CB CYS A 64 4.085 -2.603 -11.382 1.00 0.00 C ATOM 888 SG CYS A 64 2.668 -3.729 -11.400 1.00 0.00 S ATOM 0 H CYS A 64 2.762 0.050 -11.055 1.00 0.00 H new ATOM 0 HA CYS A 64 4.104 -1.969 -9.314 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.163 -2.126 -12.359 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.993 -3.189 -11.240 1.00 0.00 H new ATOM 893 N ASN A 65 4.977 0.650 -9.896 1.00 0.00 N ATOM 894 CA ASN A 65 5.965 1.760 -9.900 1.00 0.00 C ATOM 895 C ASN A 65 6.464 1.964 -8.454 1.00 0.00 C ATOM 896 O ASN A 65 5.815 1.499 -7.539 1.00 0.00 O ATOM 897 CB ASN A 65 5.238 2.986 -10.422 1.00 0.00 C ATOM 898 CG ASN A 65 4.782 2.735 -11.860 1.00 0.00 C ATOM 899 OD1 ASN A 65 5.448 3.081 -12.816 1.00 0.00 O ATOM 900 ND2 ASN A 65 3.642 2.129 -12.043 1.00 0.00 N ATOM 0 H ASN A 65 4.098 0.888 -9.437 1.00 0.00 H new ATOM 0 HA ASN A 65 6.831 1.556 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.378 3.208 -9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.895 3.855 -10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.308 1.945 -12.989 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.084 1.839 -11.240 1.00 0.00 H new ATOM 907 N PRO A 66 7.580 2.637 -8.263 1.00 0.00 N ATOM 908 CA PRO A 66 8.049 3.045 -6.901 1.00 0.00 C ATOM 909 C PRO A 66 7.077 4.045 -6.240 1.00 0.00 C ATOM 910 O PRO A 66 6.114 4.472 -6.848 1.00 0.00 O ATOM 911 CB PRO A 66 9.446 3.642 -7.104 1.00 0.00 C ATOM 912 CG PRO A 66 9.733 3.653 -8.616 1.00 0.00 C ATOM 913 CD PRO A 66 8.511 3.069 -9.347 1.00 0.00 C ATOM 0 HA PRO A 66 8.084 2.195 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.493 4.653 -6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.195 3.051 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.929 4.669 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.624 3.065 -8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.045 3.813 -9.993 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.795 2.229 -9.981 1.00 0.00 H new ATOM 921 N PHE A 67 7.372 4.382 -5.008 1.00 0.00 N ATOM 922 CA PHE A 67 6.520 5.345 -4.235 1.00 0.00 C ATOM 923 C PHE A 67 7.294 5.928 -3.037 1.00 0.00 C ATOM 924 O PHE A 67 8.503 5.806 -2.966 1.00 0.00 O ATOM 925 CB PHE A 67 5.253 4.607 -3.735 1.00 0.00 C ATOM 926 CG PHE A 67 5.631 3.452 -2.792 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.206 2.286 -3.262 1.00 0.00 C ATOM 928 CD2 PHE A 67 5.394 3.578 -1.439 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.533 1.274 -2.392 1.00 0.00 C ATOM 930 CE2 PHE A 67 5.721 2.569 -0.565 1.00 0.00 C ATOM 931 CZ PHE A 67 6.291 1.415 -1.042 1.00 0.00 C ATOM 0 H PHE A 67 8.179 4.026 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 67 6.238 6.171 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.600 5.308 -3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.693 4.219 -4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.399 2.170 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.944 4.484 -1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.981 0.365 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.530 2.684 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.550 0.618 -0.360 1.00 0.00 H new ATOM 941 N GLY A 68 6.569 6.543 -2.132 1.00 0.00 N ATOM 942 CA GLY A 68 7.196 7.152 -0.921 1.00 0.00 C ATOM 943 C GLY A 68 6.193 7.256 0.236 1.00 0.00 C ATOM 944 O GLY A 68 5.969 8.330 0.759 1.00 0.00 O ATOM 0 H GLY A 68 5.556 6.649 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.051 6.551 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.576 8.144 -1.166 1.00 0.00 H new ATOM 948 N TRP A 69 5.622 6.133 0.596 1.00 0.00 N ATOM 949 CA TRP A 69 4.622 6.088 1.715 1.00 0.00 C ATOM 950 C TRP A 69 5.240 5.249 2.836 1.00 0.00 C ATOM 951 O TRP A 69 5.672 4.137 2.599 1.00 0.00 O ATOM 952 CB TRP A 69 3.313 5.440 1.208 1.00 0.00 C ATOM 953 CG TRP A 69 2.781 6.248 0.010 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.571 7.602 -0.011 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.445 5.744 -1.215 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.132 7.843 -1.221 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.021 6.803 -2.018 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.457 4.450 -1.738 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.617 6.573 -3.329 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.054 4.218 -3.049 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.633 5.280 -3.847 1.00 0.00 C ATOM 0 H TRP A 69 5.807 5.231 0.157 1.00 0.00 H new ATOM 0 HA TRP A 69 4.384 7.088 2.078 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.495 4.406 0.913 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.571 5.418 2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.731 8.310 0.789 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.890 8.785 -1.528 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.781 3.624 -1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.291 7.397 -3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.067 3.215 -3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.320 5.101 -4.865 1.00 0.00 H new ATOM 972 N LYS A 70 5.264 5.801 4.025 1.00 0.00 N ATOM 973 CA LYS A 70 5.852 5.066 5.184 1.00 0.00 C ATOM 974 C LYS A 70 4.818 4.096 5.768 1.00 0.00 C ATOM 975 O LYS A 70 5.152 3.297 6.620 1.00 0.00 O ATOM 976 CB LYS A 70 6.306 6.106 6.239 1.00 0.00 C ATOM 977 CG LYS A 70 7.384 5.472 7.146 1.00 0.00 C ATOM 978 CD LYS A 70 8.117 6.584 7.930 1.00 0.00 C ATOM 979 CE LYS A 70 9.242 5.968 8.780 1.00 0.00 C ATOM 980 NZ LYS A 70 10.261 5.327 7.899 1.00 0.00 N ATOM 0 H LYS A 70 4.901 6.729 4.241 1.00 0.00 H new ATOM 0 HA LYS A 70 6.712 4.477 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.704 6.992 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.455 6.430 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.923 4.767 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.096 4.908 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.532 7.317 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.413 7.114 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.712 6.740 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.827 5.229 9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.154 5.220 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.921 4.391 7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.420 5.923 7.062 1.00 0.00 H new ATOM 994 N SER A 71 3.601 4.205 5.288 1.00 0.00 N ATOM 995 CA SER A 71 2.485 3.325 5.755 1.00 0.00 C ATOM 996 C SER A 71 1.204 3.545 4.956 1.00 0.00 C ATOM 997 O SER A 71 1.049 4.518 4.241 1.00 0.00 O ATOM 998 CB SER A 71 2.188 3.582 7.253 1.00 0.00 C ATOM 999 OG SER A 71 2.008 4.985 7.357 1.00 0.00 O ATOM 0 H SER A 71 3.330 4.883 4.576 1.00 0.00 H new ATOM 0 HA SER A 71 2.812 2.296 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.296 3.045 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.011 3.242 7.882 1.00 0.00 H new ATOM 0 HG SER A 71 1.064 5.182 7.530 1.00 0.00 H new ATOM 1005 N ILE A 72 0.329 2.591 5.136 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.997 2.588 4.459 1.00 0.00 C ATOM 1007 C ILE A 72 -2.092 2.243 5.471 1.00 0.00 C ATOM 1008 O ILE A 72 -2.062 1.204 6.103 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.960 1.548 3.289 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.385 1.446 2.654 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.487 0.153 3.791 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.356 0.627 1.386 1.00 0.00 C ATOM 0 H ILE A 72 0.487 1.788 5.745 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.218 3.574 4.049 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.246 1.885 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.073 0.993 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.763 2.445 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.471 -0.548 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.515 0.238 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.173 -0.210 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.360 0.572 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.686 1.096 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.001 -0.379 1.611 1.00 0.00 H new ATOM 1024 N PHE A 73 -3.027 3.150 5.580 1.00 0.00 N ATOM 1025 CA PHE A 73 -4.177 2.981 6.518 1.00 0.00 C ATOM 1026 C PHE A 73 -5.406 2.490 5.750 1.00 0.00 C ATOM 1027 O PHE A 73 -6.013 3.230 5.000 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.461 4.333 7.191 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.671 4.226 8.136 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.698 3.290 9.156 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.756 5.069 7.974 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.786 3.199 9.997 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.845 4.978 8.815 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.862 4.044 9.827 1.00 0.00 C ATOM 0 H PHE A 73 -3.042 4.019 5.047 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.937 2.240 7.281 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.584 4.658 7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.653 5.090 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.858 2.625 9.294 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.750 5.804 7.183 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.796 2.465 10.790 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.687 5.641 8.680 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.715 3.974 10.485 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.719 1.240 5.978 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.890 0.590 5.314 1.00 0.00 C ATOM 1046 C ILE A 74 -8.021 0.468 6.341 1.00 0.00 C ATOM 1047 O ILE A 74 -7.773 0.300 7.519 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.459 -0.818 4.799 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.266 -0.635 3.814 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.645 -1.507 4.077 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.782 -1.977 3.228 1.00 0.00 C ATOM 0 H ILE A 74 -5.201 0.630 6.610 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.237 1.181 4.467 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.158 -1.446 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.566 0.027 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.440 -0.148 4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.333 -2.489 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.478 -1.620 4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.959 -0.897 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.950 -1.798 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.455 -2.630 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.599 -2.453 2.685 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.234 0.562 5.858 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.427 0.456 6.751 1.00 0.00 C ATOM 1065 C GLN A 75 -10.589 -1.003 7.203 1.00 0.00 C ATOM 1066 O GLN A 75 -9.722 -1.815 6.936 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.646 0.923 5.970 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.395 2.357 5.478 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.087 3.311 6.641 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -11.972 3.837 7.287 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -9.840 3.557 6.936 1.00 0.00 N ATOM 0 H GLN A 75 -9.450 0.709 4.872 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.309 1.078 7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.830 0.260 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.534 0.890 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.562 2.360 4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.271 2.714 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.093 3.119 6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.613 4.188 7.705 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.675 -1.305 7.869 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.899 -2.708 8.339 1.00 0.00 C ATOM 1082 C CYS A 76 -13.369 -3.112 8.138 1.00 0.00 C ATOM 1083 O CYS A 76 -13.567 -4.250 7.746 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.517 -2.802 9.831 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.044 -4.456 10.390 1.00 0.00 S ATOM 1086 OXT CYS A 76 -14.214 -2.265 8.384 1.00 0.00 O ATOM 0 H CYS A 76 -12.414 -0.644 8.107 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.278 -3.390 7.759 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.690 -2.118 10.024 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.361 -2.459 10.430 1.00 0.00 H new