USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1073 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 74 SER OG : rot 131:sc= 1.99 USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= -0.0647 USER MOD Set 3.2: A 82 HIS : no HD1:sc= -0.254 K(o=-0.32,f=0.52) USER MOD Set 4.1: A 27 MET CE :methyl -178:sc= -4.36! (180deg=-4.12) USER MOD Set 4.2: A 31 ASN : amide:sc= -2.7 X(o=-7.4,f=-7.3!) USER MOD Set 4.3: A 98 TYR OH : rot 17:sc= -0.373 USER MOD Set 5.1: A 14 GLN : amide:sc= 0.341 K(o=-6.9,f=-9.8) USER MOD Set 5.2: A 38 LYS NZ :NH3+ 158:sc= 0.38 (180deg=-0.0387) USER MOD Set 5.3: A 41 ASN : amide:sc= -7.62! C(o=-6.9!,f=-6.3!) USER MOD Single : A 1 ARG N :NH3+ -168:sc= -3! (180deg=-3.42!) USER MOD Single : A 4 GLN : amide:sc= -4.01! C(o=-4!,f=-2.5!) USER MOD Single : A 6 THR OG1 : rot -133:sc= -1.16 USER MOD Single : A 9 GLN : amide:sc= -5.93 K(o=-5.9,f=-1.4) USER MOD Single : A 15 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.048) USER MOD Single : A 17 SER OG : rot 11:sc= -0.352! USER MOD Single : A 19 ASN : amide:sc= -0.879 K(o=-0.88,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.63) USER MOD Single : A 33 TYR OH : rot 0:sc= -1.01 USER MOD Single : A 39 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 170:sc= -0.412 USER MOD Single : A 53 ASN : amide:sc=-0.00494 X(o=-0.0049,f=-0.014) USER MOD Single : A 57 ASN : amide:sc= -5.36! C(o=-5.4!,f=-12!) USER MOD Single : A 58 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 59 SER OG : rot 32:sc= 0.878 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 65 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.61) USER MOD Single : A 67 THR OG1 : rot -49:sc= 0.806 USER MOD Single : A 69 ASN : amide:sc= -0.145 K(o=-0.15,f=0.82) USER MOD Single : A 70 ASN : amide:sc= -0.629 K(o=-0.63,f=-5.2!) USER MOD Single : A 72 HIS : no HE2:sc= -9.46! C(o=-9.5!,f=-9.4!) USER MOD Single : A 87 ASN : amide:sc= -5.44! C(o=-5.4!,f=-7.3!) USER MOD Single : A 91 GLN : amide:sc= -3.97! C(o=-4!,f=-1.5!) USER MOD Single : A 92 ASN : amide:sc= -2.53! X(o=-2.5!,f=-2.6) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.018) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 160:sc= -1.62 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.916 USER MOD Single : A 128 HIS : no HE2:sc= -2.85! K(o=-2.8!,f=-1.2) USER MOD Single : A 131 THR OG1 : rot -101:sc= -0.0405 USER MOD Single : A 132 THR OG1 : rot 48:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.640 -11.770 -0.626 1.00 13.34 N ATOM 2 CA ARG A 1 7.268 -11.100 -1.757 1.00 1.11 C ATOM 3 C ARG A 1 8.043 -12.094 -2.616 1.00 43.02 C ATOM 4 O ARG A 1 9.261 -12.235 -2.501 1.00 30.00 O ATOM 5 CB ARG A 1 8.206 -9.994 -1.266 1.00 72.22 C ATOM 6 CG ARG A 1 9.105 -10.424 -0.119 1.00 62.23 C ATOM 7 CD ARG A 1 10.294 -9.489 0.036 1.00 43.41 C ATOM 8 NE ARG A 1 11.255 -9.640 -1.054 1.00 31.12 N ATOM 9 CZ ARG A 1 12.218 -8.763 -1.312 1.00 2.15 C ATOM 10 NH1 ARG A 1 12.349 -7.677 -0.562 1.00 34.25 N ATOM 11 NH2 ARG A 1 13.054 -8.971 -2.321 1.00 74.14 N ATOM 0 H1 ARG A 1 5.960 -11.126 -0.175 1.00 13.34 H new ATOM 0 H2 ARG A 1 6.143 -12.621 -0.959 1.00 13.34 H new ATOM 0 H3 ARG A 1 7.369 -12.043 0.064 1.00 13.34 H new ATOM 0 HA ARG A 1 6.481 -10.656 -2.366 1.00 1.11 H new ATOM 0 HB2 ARG A 1 8.827 -9.660 -2.097 1.00 72.22 H new ATOM 0 HB3 ARG A 1 7.610 -9.138 -0.949 1.00 72.22 H new ATOM 0 HG2 ARG A 1 8.531 -10.442 0.808 1.00 62.23 H new ATOM 0 HG3 ARG A 1 9.460 -11.440 -0.294 1.00 62.23 H new ATOM 0 HD2 ARG A 1 9.942 -8.458 0.069 1.00 43.41 H new ATOM 0 HD3 ARG A 1 10.790 -9.687 0.986 1.00 43.41 H new ATOM 0 HE ARG A 1 11.182 -10.465 -1.650 1.00 31.12 H new ATOM 0 HH11 ARG A 1 11.709 -7.514 0.215 1.00 34.25 H new ATOM 0 HH12 ARG A 1 13.090 -7.005 -0.763 1.00 34.25 H new ATOM 0 HH21 ARG A 1 12.957 -9.805 -2.900 1.00 74.14 H new ATOM 0 HH22 ARG A 1 13.793 -8.296 -2.518 1.00 74.14 H new ATOM 25 N PRO A 2 7.322 -12.803 -3.498 1.00 51.45 N ATOM 26 CA PRO A 2 7.921 -13.797 -4.394 1.00 41.44 C ATOM 27 C PRO A 2 8.792 -13.157 -5.470 1.00 2.02 C ATOM 28 O PRO A 2 8.794 -11.940 -5.658 1.00 64.25 O ATOM 29 CB PRO A 2 6.707 -14.482 -5.026 1.00 21.13 C ATOM 30 CG PRO A 2 5.618 -13.469 -4.950 1.00 51.43 C ATOM 31 CD PRO A 2 5.867 -12.687 -3.689 1.00 40.55 C ATOM 0 HA PRO A 2 8.583 -14.480 -3.861 1.00 41.44 H new ATOM 0 HB2 PRO A 2 6.908 -14.771 -6.058 1.00 21.13 H new ATOM 0 HB3 PRO A 2 6.440 -15.391 -4.487 1.00 21.13 H new ATOM 0 HG2 PRO A 2 5.631 -12.816 -5.823 1.00 51.43 H new ATOM 0 HG3 PRO A 2 4.640 -13.949 -4.925 1.00 51.43 H new ATOM 0 HD2 PRO A 2 5.557 -11.647 -3.793 1.00 40.55 H new ATOM 0 HD3 PRO A 2 5.316 -13.101 -2.844 1.00 40.55 H new ATOM 39 N PRO A 3 9.549 -13.994 -6.195 1.00 53.01 N ATOM 40 CA PRO A 3 10.437 -13.532 -7.266 1.00 3.35 C ATOM 41 C PRO A 3 9.666 -13.023 -8.478 1.00 42.15 C ATOM 42 O PRO A 3 10.259 -12.539 -9.443 1.00 62.20 O ATOM 43 CB PRO A 3 11.238 -14.785 -7.628 1.00 71.50 C ATOM 44 CG PRO A 3 10.360 -15.923 -7.233 1.00 11.51 C ATOM 45 CD PRO A 3 9.597 -15.456 -6.024 1.00 75.42 C ATOM 0 HA PRO A 3 11.055 -12.692 -6.950 1.00 3.35 H new ATOM 0 HB2 PRO A 3 11.468 -14.814 -8.693 1.00 71.50 H new ATOM 0 HB3 PRO A 3 12.189 -14.815 -7.095 1.00 71.50 H new ATOM 0 HG2 PRO A 3 9.682 -16.192 -8.043 1.00 11.51 H new ATOM 0 HG3 PRO A 3 10.950 -16.810 -7.003 1.00 11.51 H new ATOM 0 HD2 PRO A 3 8.598 -15.889 -5.987 1.00 75.42 H new ATOM 0 HD3 PRO A 3 10.100 -15.736 -5.098 1.00 75.42 H new ATOM 53 N GLN A 4 8.343 -13.135 -8.423 1.00 22.22 N ATOM 54 CA GLN A 4 7.493 -12.686 -9.519 1.00 61.14 C ATOM 55 C GLN A 4 7.032 -11.249 -9.297 1.00 45.41 C ATOM 56 O GLN A 4 6.489 -10.613 -10.201 1.00 25.21 O ATOM 57 CB GLN A 4 6.279 -13.607 -9.661 1.00 30.00 C ATOM 58 CG GLN A 4 5.072 -13.150 -8.859 1.00 12.31 C ATOM 59 CD GLN A 4 4.203 -14.305 -8.402 1.00 64.33 C ATOM 60 OE1 GLN A 4 3.003 -14.341 -8.676 1.00 14.12 O ATOM 61 NE2 GLN A 4 4.806 -15.261 -7.704 1.00 51.14 N ATOM 0 H GLN A 4 7.837 -13.533 -7.632 1.00 22.22 H new ATOM 0 HA GLN A 4 8.078 -12.723 -10.438 1.00 61.14 H new ATOM 0 HB2 GLN A 4 6.003 -13.670 -10.713 1.00 30.00 H new ATOM 0 HB3 GLN A 4 6.557 -14.612 -9.343 1.00 30.00 H new ATOM 0 HG2 GLN A 4 5.411 -12.589 -7.988 1.00 12.31 H new ATOM 0 HG3 GLN A 4 4.475 -12.469 -9.465 1.00 12.31 H new ATOM 0 HE21 GLN A 4 5.803 -15.191 -7.499 1.00 51.14 H new ATOM 0 HE22 GLN A 4 4.272 -16.065 -7.373 1.00 51.14 H new ATOM 70 N PHE A 5 7.253 -10.742 -8.088 1.00 32.42 N ATOM 71 CA PHE A 5 6.859 -9.380 -7.746 1.00 21.52 C ATOM 72 C PHE A 5 7.944 -8.691 -6.926 1.00 13.02 C ATOM 73 O PHE A 5 8.357 -9.187 -5.877 1.00 22.13 O ATOM 74 CB PHE A 5 5.542 -9.388 -6.968 1.00 32.14 C ATOM 75 CG PHE A 5 4.440 -10.141 -7.658 1.00 44.24 C ATOM 76 CD1 PHE A 5 4.135 -9.884 -8.985 1.00 30.53 C ATOM 77 CD2 PHE A 5 3.712 -11.105 -6.981 1.00 33.12 C ATOM 78 CE1 PHE A 5 3.122 -10.576 -9.623 1.00 45.21 C ATOM 79 CE2 PHE A 5 2.698 -11.800 -7.614 1.00 53.01 C ATOM 80 CZ PHE A 5 2.404 -11.535 -8.936 1.00 74.23 C ATOM 0 H PHE A 5 7.703 -11.254 -7.329 1.00 32.42 H new ATOM 0 HA PHE A 5 6.721 -8.824 -8.673 1.00 21.52 H new ATOM 0 HB2 PHE A 5 5.713 -9.829 -5.986 1.00 32.14 H new ATOM 0 HB3 PHE A 5 5.220 -8.360 -6.804 1.00 32.14 H new ATOM 0 HD1 PHE A 5 4.694 -9.135 -9.527 1.00 30.53 H new ATOM 0 HD2 PHE A 5 3.939 -11.316 -5.946 1.00 33.12 H new ATOM 0 HE1 PHE A 5 2.893 -10.367 -10.657 1.00 45.21 H new ATOM 0 HE2 PHE A 5 2.137 -12.549 -7.075 1.00 53.01 H new ATOM 0 HZ PHE A 5 1.613 -12.077 -9.433 1.00 74.23 H new ATOM 90 N THR A 6 8.404 -7.542 -7.411 1.00 72.01 N ATOM 91 CA THR A 6 9.442 -6.783 -6.726 1.00 11.44 C ATOM 92 C THR A 6 8.942 -6.251 -5.387 1.00 30.33 C ATOM 93 O THR A 6 7.831 -6.567 -4.960 1.00 11.32 O ATOM 94 CB THR A 6 9.934 -5.602 -7.583 1.00 1.51 C ATOM 95 OG1 THR A 6 8.876 -5.134 -8.427 1.00 23.32 O ATOM 96 CG2 THR A 6 11.127 -6.010 -8.435 1.00 32.13 C ATOM 0 H THR A 6 8.073 -7.116 -8.277 1.00 72.01 H new ATOM 0 HA THR A 6 10.272 -7.468 -6.555 1.00 11.44 H new ATOM 0 HB THR A 6 10.244 -4.801 -6.912 1.00 1.51 H new ATOM 0 HG1 THR A 6 9.214 -5.014 -9.339 1.00 23.32 H new ATOM 0 HG21 THR A 6 11.456 -5.159 -9.031 1.00 32.13 H new ATOM 0 HG22 THR A 6 11.941 -6.337 -7.788 1.00 32.13 H new ATOM 0 HG23 THR A 6 10.839 -6.827 -9.097 1.00 32.13 H new ATOM 104 N ARG A 7 9.766 -5.442 -4.731 1.00 62.22 N ATOM 105 CA ARG A 7 9.407 -4.867 -3.441 1.00 14.31 C ATOM 106 C ARG A 7 8.387 -3.744 -3.610 1.00 62.45 C ATOM 107 O ARG A 7 7.517 -3.549 -2.762 1.00 70.14 O ATOM 108 CB ARG A 7 10.653 -4.335 -2.731 1.00 2.11 C ATOM 109 CG ARG A 7 10.422 -3.995 -1.268 1.00 15.42 C ATOM 110 CD ARG A 7 11.637 -3.316 -0.654 1.00 53.24 C ATOM 111 NE ARG A 7 11.524 -3.200 0.798 1.00 41.33 N ATOM 112 CZ ARG A 7 11.839 -4.178 1.639 1.00 74.20 C ATOM 113 NH1 ARG A 7 12.283 -5.339 1.176 1.00 10.43 N ATOM 114 NH2 ARG A 7 11.710 -3.997 2.948 1.00 75.10 N ATOM 0 H ARG A 7 10.688 -5.170 -5.072 1.00 62.22 H new ATOM 0 HA ARG A 7 8.959 -5.653 -2.834 1.00 14.31 H new ATOM 0 HB2 ARG A 7 11.446 -5.079 -2.801 1.00 2.11 H new ATOM 0 HB3 ARG A 7 11.005 -3.444 -3.251 1.00 2.11 H new ATOM 0 HG2 ARG A 7 9.555 -3.341 -1.178 1.00 15.42 H new ATOM 0 HG3 ARG A 7 10.194 -4.905 -0.714 1.00 15.42 H new ATOM 0 HD2 ARG A 7 12.534 -3.883 -0.904 1.00 53.24 H new ATOM 0 HD3 ARG A 7 11.756 -2.324 -1.089 1.00 53.24 H new ATOM 0 HE ARG A 7 11.185 -2.320 1.187 1.00 41.33 H new ATOM 0 HH11 ARG A 7 12.383 -5.483 0.171 1.00 10.43 H new ATOM 0 HH12 ARG A 7 12.524 -6.088 1.825 1.00 10.43 H new ATOM 0 HH21 ARG A 7 11.369 -3.106 3.308 1.00 75.10 H new ATOM 0 HH22 ARG A 7 11.952 -4.749 3.593 1.00 75.10 H new ATOM 128 N ALA A 8 8.502 -3.010 -4.713 1.00 0.14 N ATOM 129 CA ALA A 8 7.590 -1.908 -4.995 1.00 22.34 C ATOM 130 C ALA A 8 6.383 -2.386 -5.795 1.00 60.32 C ATOM 131 O ALA A 8 5.249 -2.332 -5.318 1.00 44.25 O ATOM 132 CB ALA A 8 8.316 -0.801 -5.742 1.00 41.55 C ATOM 0 H ALA A 8 9.217 -3.159 -5.425 1.00 0.14 H new ATOM 0 HA ALA A 8 7.230 -1.514 -4.045 1.00 22.34 H new ATOM 0 HB1 ALA A 8 7.623 0.015 -5.946 1.00 41.55 H new ATOM 0 HB2 ALA A 8 9.142 -0.432 -5.134 1.00 41.55 H new ATOM 0 HB3 ALA A 8 8.704 -1.191 -6.683 1.00 41.55 H new ATOM 138 N GLN A 9 6.635 -2.854 -7.013 1.00 74.35 N ATOM 139 CA GLN A 9 5.566 -3.340 -7.880 1.00 23.10 C ATOM 140 C GLN A 9 4.594 -4.222 -7.104 1.00 25.14 C ATOM 141 O GLN A 9 3.421 -4.331 -7.458 1.00 51.21 O ATOM 142 CB GLN A 9 6.152 -4.121 -9.058 1.00 42.40 C ATOM 143 CG GLN A 9 6.207 -5.622 -8.827 1.00 3.13 C ATOM 144 CD GLN A 9 4.952 -6.331 -9.297 1.00 52.33 C ATOM 145 OE1 GLN A 9 4.684 -6.412 -10.496 1.00 70.01 O ATOM 146 NE2 GLN A 9 4.175 -6.848 -8.353 1.00 31.13 N ATOM 0 H GLN A 9 7.568 -2.907 -7.422 1.00 74.35 H new ATOM 0 HA GLN A 9 5.020 -2.477 -8.260 1.00 23.10 H new ATOM 0 HB2 GLN A 9 5.556 -3.921 -9.948 1.00 42.40 H new ATOM 0 HB3 GLN A 9 7.159 -3.756 -9.260 1.00 42.40 H new ATOM 0 HG2 GLN A 9 7.070 -6.035 -9.349 1.00 3.13 H new ATOM 0 HG3 GLN A 9 6.354 -5.817 -7.765 1.00 3.13 H new ATOM 0 HE21 GLN A 9 4.436 -6.757 -7.371 1.00 31.13 H new ATOM 0 HE22 GLN A 9 3.317 -7.336 -8.609 1.00 31.13 H new ATOM 155 N TRP A 10 5.091 -4.850 -6.044 1.00 32.30 N ATOM 156 CA TRP A 10 4.265 -5.724 -5.217 1.00 64.14 C ATOM 157 C TRP A 10 3.529 -4.924 -4.148 1.00 21.50 C ATOM 158 O TRP A 10 2.428 -5.291 -3.734 1.00 4.23 O ATOM 159 CB TRP A 10 5.128 -6.803 -4.561 1.00 65.10 C ATOM 160 CG TRP A 10 4.328 -7.920 -3.962 1.00 71.44 C ATOM 161 CD1 TRP A 10 4.445 -8.428 -2.700 1.00 23.10 C ATOM 162 CD2 TRP A 10 3.289 -8.670 -4.604 1.00 44.33 C ATOM 163 NE1 TRP A 10 3.542 -9.448 -2.518 1.00 13.14 N ATOM 164 CE2 TRP A 10 2.820 -9.615 -3.670 1.00 43.30 C ATOM 165 CE3 TRP A 10 2.709 -8.633 -5.874 1.00 55.13 C ATOM 166 CZ2 TRP A 10 1.800 -10.513 -3.970 1.00 5.25 C ATOM 167 CZ3 TRP A 10 1.696 -9.525 -6.170 1.00 51.24 C ATOM 168 CH2 TRP A 10 1.250 -10.454 -5.222 1.00 30.14 C ATOM 0 H TRP A 10 6.060 -4.771 -5.737 1.00 32.30 H new ATOM 0 HA TRP A 10 3.526 -6.201 -5.860 1.00 64.14 H new ATOM 0 HB2 TRP A 10 5.812 -7.213 -5.304 1.00 65.10 H new ATOM 0 HB3 TRP A 10 5.740 -6.346 -3.783 1.00 65.10 H new ATOM 0 HD1 TRP A 10 5.144 -8.080 -1.954 1.00 23.10 H new ATOM 0 HE1 TRP A 10 3.428 -9.993 -1.663 1.00 13.14 H new ATOM 0 HE3 TRP A 10 3.046 -7.920 -6.612 1.00 55.13 H new ATOM 0 HZ2 TRP A 10 1.455 -11.231 -3.241 1.00 5.25 H new ATOM 0 HZ3 TRP A 10 1.241 -9.505 -7.149 1.00 51.24 H new ATOM 0 HH2 TRP A 10 0.456 -11.138 -5.484 1.00 30.14 H new ATOM 179 N PHE A 11 4.141 -3.832 -3.705 1.00 52.13 N ATOM 180 CA PHE A 11 3.542 -2.981 -2.683 1.00 43.23 C ATOM 181 C PHE A 11 2.239 -2.365 -3.183 1.00 73.44 C ATOM 182 O PHE A 11 1.205 -2.450 -2.521 1.00 43.21 O ATOM 183 CB PHE A 11 4.517 -1.875 -2.275 1.00 5.21 C ATOM 184 CG PHE A 11 3.839 -0.615 -1.819 1.00 20.34 C ATOM 185 CD1 PHE A 11 3.348 0.296 -2.741 1.00 24.14 C ATOM 186 CD2 PHE A 11 3.690 -0.342 -0.469 1.00 45.10 C ATOM 187 CE1 PHE A 11 2.723 1.456 -2.324 1.00 23.35 C ATOM 188 CE2 PHE A 11 3.066 0.817 -0.046 1.00 24.31 C ATOM 189 CZ PHE A 11 2.581 1.716 -0.975 1.00 41.55 C ATOM 0 H PHE A 11 5.052 -3.515 -4.037 1.00 52.13 H new ATOM 0 HA PHE A 11 3.321 -3.601 -1.814 1.00 43.23 H new ATOM 0 HB2 PHE A 11 5.157 -2.244 -1.474 1.00 5.21 H new ATOM 0 HB3 PHE A 11 5.165 -1.644 -3.120 1.00 5.21 H new ATOM 0 HD1 PHE A 11 3.455 0.097 -3.797 1.00 24.14 H new ATOM 0 HD2 PHE A 11 4.066 -1.043 0.262 1.00 45.10 H new ATOM 0 HE1 PHE A 11 2.346 2.159 -3.052 1.00 23.35 H new ATOM 0 HE2 PHE A 11 2.958 1.019 1.009 1.00 24.31 H new ATOM 0 HZ PHE A 11 2.091 2.621 -0.647 1.00 41.55 H new ATOM 199 N ALA A 12 2.296 -1.746 -4.357 1.00 54.44 N ATOM 200 CA ALA A 12 1.121 -1.116 -4.948 1.00 25.34 C ATOM 201 C ALA A 12 0.080 -2.158 -5.341 1.00 71.41 C ATOM 202 O ALA A 12 -1.116 -1.870 -5.384 1.00 54.44 O ATOM 203 CB ALA A 12 1.520 -0.283 -6.158 1.00 24.35 C ATOM 0 H ALA A 12 3.144 -1.667 -4.919 1.00 54.44 H new ATOM 0 HA ALA A 12 0.676 -0.460 -4.200 1.00 25.34 H new ATOM 0 HB1 ALA A 12 0.633 0.181 -6.589 1.00 24.35 H new ATOM 0 HB2 ALA A 12 2.222 0.492 -5.851 1.00 24.35 H new ATOM 0 HB3 ALA A 12 1.991 -0.925 -6.902 1.00 24.35 H new ATOM 209 N ILE A 13 0.542 -3.371 -5.628 1.00 21.32 N ATOM 210 CA ILE A 13 -0.350 -4.456 -6.017 1.00 14.41 C ATOM 211 C ILE A 13 -1.478 -4.629 -5.006 1.00 34.20 C ATOM 212 O ILE A 13 -2.633 -4.831 -5.379 1.00 12.12 O ATOM 213 CB ILE A 13 0.410 -5.788 -6.155 1.00 65.02 C ATOM 214 CG1 ILE A 13 0.900 -5.974 -7.592 1.00 64.05 C ATOM 215 CG2 ILE A 13 -0.478 -6.951 -5.738 1.00 10.44 C ATOM 216 CD1 ILE A 13 -0.041 -6.789 -8.451 1.00 0.30 C ATOM 0 H ILE A 13 1.529 -3.627 -5.598 1.00 21.32 H new ATOM 0 HA ILE A 13 -0.771 -4.186 -6.985 1.00 14.41 H new ATOM 0 HB ILE A 13 1.277 -5.764 -5.495 1.00 65.02 H new ATOM 0 HG12 ILE A 13 1.040 -4.994 -8.049 1.00 64.05 H new ATOM 0 HG13 ILE A 13 1.876 -6.460 -7.575 1.00 64.05 H new ATOM 0 HG21 ILE A 13 0.074 -7.885 -5.841 1.00 10.44 H new ATOM 0 HG22 ILE A 13 -0.782 -6.822 -4.699 1.00 10.44 H new ATOM 0 HG23 ILE A 13 -1.363 -6.980 -6.374 1.00 10.44 H new ATOM 0 HD11 ILE A 13 0.371 -6.880 -9.456 1.00 0.30 H new ATOM 0 HD12 ILE A 13 -0.162 -7.782 -8.017 1.00 0.30 H new ATOM 0 HD13 ILE A 13 -1.011 -6.294 -8.499 1.00 0.30 H new ATOM 228 N GLN A 14 -1.135 -4.548 -3.725 1.00 2.14 N ATOM 229 CA GLN A 14 -2.120 -4.696 -2.659 1.00 51.54 C ATOM 230 C GLN A 14 -2.459 -3.342 -2.042 1.00 23.35 C ATOM 231 O GLN A 14 -3.571 -3.133 -1.555 1.00 72.13 O ATOM 232 CB GLN A 14 -1.596 -5.645 -1.580 1.00 34.40 C ATOM 233 CG GLN A 14 -0.770 -4.953 -0.509 1.00 42.25 C ATOM 234 CD GLN A 14 0.288 -5.860 0.089 1.00 55.03 C ATOM 235 OE1 GLN A 14 0.176 -6.289 1.237 1.00 25.21 O ATOM 236 NE2 GLN A 14 1.323 -6.156 -0.689 1.00 31.14 N ATOM 0 H GLN A 14 -0.183 -4.381 -3.399 1.00 2.14 H new ATOM 0 HA GLN A 14 -3.028 -5.116 -3.092 1.00 51.54 H new ATOM 0 HB2 GLN A 14 -2.441 -6.146 -1.108 1.00 34.40 H new ATOM 0 HB3 GLN A 14 -0.989 -6.418 -2.052 1.00 34.40 H new ATOM 0 HG2 GLN A 14 -0.289 -4.074 -0.938 1.00 42.25 H new ATOM 0 HG3 GLN A 14 -1.431 -4.601 0.283 1.00 42.25 H new ATOM 0 HE21 GLN A 14 1.375 -5.778 -1.635 1.00 31.14 H new ATOM 0 HE22 GLN A 14 2.066 -6.762 -0.341 1.00 31.14 H new ATOM 245 N HIS A 15 -1.495 -2.428 -2.064 1.00 43.31 N ATOM 246 CA HIS A 15 -1.693 -1.095 -1.506 1.00 25.41 C ATOM 247 C HIS A 15 -2.240 -0.140 -2.562 1.00 44.45 C ATOM 248 O HIS A 15 -2.576 1.006 -2.262 1.00 4.44 O ATOM 249 CB HIS A 15 -0.377 -0.554 -0.944 1.00 75.34 C ATOM 250 CG HIS A 15 0.046 -1.214 0.332 1.00 14.01 C ATOM 251 ND1 HIS A 15 -0.718 -1.191 1.480 1.00 43.30 N ATOM 252 CD2 HIS A 15 1.160 -1.920 0.636 1.00 10.01 C ATOM 253 CE1 HIS A 15 -0.091 -1.853 2.436 1.00 3.41 C ATOM 254 NE2 HIS A 15 1.051 -2.306 1.950 1.00 13.43 N ATOM 0 H HIS A 15 -0.569 -2.586 -2.462 1.00 43.31 H new ATOM 0 HA HIS A 15 -2.421 -1.170 -0.698 1.00 25.41 H new ATOM 0 HB2 HIS A 15 0.408 -0.685 -1.689 1.00 75.34 H new ATOM 0 HB3 HIS A 15 -0.478 0.518 -0.773 1.00 75.34 H new ATOM 0 HD2 HIS A 15 1.981 -2.139 -0.030 1.00 10.01 H new ATOM 0 HE1 HIS A 15 -0.451 -1.999 3.444 1.00 3.41 H new ATOM 0 HE2 HIS A 15 1.740 -2.853 2.466 1.00 13.43 H new ATOM 263 N ILE A 16 -2.326 -0.619 -3.798 1.00 40.53 N ATOM 264 CA ILE A 16 -2.832 0.193 -4.898 1.00 73.02 C ATOM 265 C ILE A 16 -3.711 -0.632 -5.831 1.00 34.44 C ATOM 266 O ILE A 16 -3.332 -1.725 -6.253 1.00 71.23 O ATOM 267 CB ILE A 16 -1.683 0.818 -5.712 1.00 31.33 C ATOM 268 CG1 ILE A 16 -1.371 2.224 -5.198 1.00 31.04 C ATOM 269 CG2 ILE A 16 -2.042 0.856 -7.190 1.00 63.43 C ATOM 270 CD1 ILE A 16 -0.297 2.933 -5.994 1.00 14.31 C ATOM 0 H ILE A 16 -2.052 -1.565 -4.063 1.00 40.53 H new ATOM 0 HA ILE A 16 -3.427 0.991 -4.453 1.00 73.02 H new ATOM 0 HB ILE A 16 -0.793 0.201 -5.590 1.00 31.33 H new ATOM 0 HG12 ILE A 16 -2.283 2.821 -5.220 1.00 31.04 H new ATOM 0 HG13 ILE A 16 -1.057 2.160 -4.156 1.00 31.04 H new ATOM 0 HG21 ILE A 16 -1.221 1.300 -7.753 1.00 63.43 H new ATOM 0 HG22 ILE A 16 -2.220 -0.158 -7.547 1.00 63.43 H new ATOM 0 HG23 ILE A 16 -2.943 1.453 -7.330 1.00 63.43 H new ATOM 0 HD11 ILE A 16 -0.127 3.924 -5.574 1.00 14.31 H new ATOM 0 HD12 ILE A 16 0.628 2.357 -5.951 1.00 14.31 H new ATOM 0 HD13 ILE A 16 -0.617 3.029 -7.032 1.00 14.31 H new ATOM 282 N SER A 17 -4.887 -0.102 -6.150 1.00 54.12 N ATOM 283 CA SER A 17 -5.823 -0.790 -7.032 1.00 23.02 C ATOM 284 C SER A 17 -6.993 0.118 -7.399 1.00 1.03 C ATOM 285 O SER A 17 -7.883 0.363 -6.583 1.00 24.52 O ATOM 286 CB SER A 17 -6.342 -2.066 -6.365 1.00 43.31 C ATOM 287 OG SER A 17 -7.399 -1.778 -5.466 1.00 44.54 O ATOM 0 H SER A 17 -5.215 0.802 -5.811 1.00 54.12 H new ATOM 0 HA SER A 17 -5.293 -1.056 -7.946 1.00 23.02 H new ATOM 0 HB2 SER A 17 -6.689 -2.763 -7.128 1.00 43.31 H new ATOM 0 HB3 SER A 17 -5.529 -2.557 -5.830 1.00 43.31 H new ATOM 0 HG SER A 17 -7.694 -0.852 -5.593 1.00 44.54 H new ATOM 293 N LEU A 18 -6.984 0.614 -8.630 1.00 54.14 N ATOM 294 CA LEU A 18 -8.044 1.496 -9.108 1.00 3.13 C ATOM 295 C LEU A 18 -9.410 1.011 -8.633 1.00 62.31 C ATOM 296 O LEU A 18 -10.173 1.764 -8.030 1.00 2.14 O ATOM 297 CB LEU A 18 -8.020 1.576 -10.634 1.00 73.51 C ATOM 298 CG LEU A 18 -6.651 1.401 -11.294 1.00 34.20 C ATOM 299 CD1 LEU A 18 -6.726 1.739 -12.775 1.00 20.12 C ATOM 300 CD2 LEU A 18 -5.610 2.267 -10.599 1.00 71.30 C ATOM 0 H LEU A 18 -6.255 0.421 -9.316 1.00 54.14 H new ATOM 0 HA LEU A 18 -7.869 2.490 -8.697 1.00 3.13 H new ATOM 0 HB2 LEU A 18 -8.691 0.813 -11.028 1.00 73.51 H new ATOM 0 HB3 LEU A 18 -8.425 2.543 -10.934 1.00 73.51 H new ATOM 0 HG LEU A 18 -6.351 0.358 -11.195 1.00 34.20 H new ATOM 0 HD11 LEU A 18 -5.743 1.609 -13.228 1.00 20.12 H new ATOM 0 HD12 LEU A 18 -7.441 1.077 -13.263 1.00 20.12 H new ATOM 0 HD13 LEU A 18 -7.047 2.773 -12.896 1.00 20.12 H new ATOM 0 HD21 LEU A 18 -4.642 2.130 -11.081 1.00 71.30 H new ATOM 0 HD22 LEU A 18 -5.904 3.314 -10.667 1.00 71.30 H new ATOM 0 HD23 LEU A 18 -5.537 1.978 -9.551 1.00 71.30 H new ATOM 312 N ASN A 19 -9.712 -0.254 -8.911 1.00 30.03 N ATOM 313 CA ASN A 19 -10.985 -0.841 -8.511 1.00 75.01 C ATOM 314 C ASN A 19 -10.771 -2.005 -7.548 1.00 1.43 C ATOM 315 O ASN A 19 -10.671 -3.164 -7.949 1.00 25.32 O ATOM 316 CB ASN A 19 -11.759 -1.319 -9.742 1.00 23.43 C ATOM 317 CG ASN A 19 -12.324 -0.170 -10.552 1.00 54.14 C ATOM 318 OD1 ASN A 19 -13.532 0.072 -10.548 1.00 42.12 O ATOM 319 ND2 ASN A 19 -11.453 0.546 -11.253 1.00 4.32 N ATOM 0 H ASN A 19 -9.092 -0.891 -9.411 1.00 30.03 H new ATOM 0 HA ASN A 19 -11.565 -0.073 -8.000 1.00 75.01 H new ATOM 0 HB2 ASN A 19 -11.100 -1.915 -10.373 1.00 23.43 H new ATOM 0 HB3 ASN A 19 -12.573 -1.971 -9.425 1.00 23.43 H new ATOM 0 HD21 ASN A 19 -11.776 1.332 -11.817 1.00 4.32 H new ATOM 0 HD22 ASN A 19 -10.461 0.310 -11.227 1.00 4.32 H new ATOM 326 N PRO A 20 -10.698 -1.690 -6.246 1.00 54.45 N ATOM 327 CA PRO A 20 -10.495 -2.694 -5.199 1.00 25.23 C ATOM 328 C PRO A 20 -11.713 -3.594 -5.013 1.00 53.44 C ATOM 329 O PRO A 20 -12.756 -3.171 -4.514 1.00 42.31 O ATOM 330 CB PRO A 20 -10.256 -1.854 -3.942 1.00 4.21 C ATOM 331 CG PRO A 20 -10.938 -0.559 -4.216 1.00 71.01 C ATOM 332 CD PRO A 20 -10.809 -0.327 -5.697 1.00 24.14 C ATOM 0 HA PRO A 20 -9.675 -3.371 -5.439 1.00 25.23 H new ATOM 0 HB2 PRO A 20 -10.669 -2.339 -3.057 1.00 4.21 H new ATOM 0 HB3 PRO A 20 -9.191 -1.710 -3.759 1.00 4.21 H new ATOM 0 HG2 PRO A 20 -11.985 -0.599 -3.917 1.00 71.01 H new ATOM 0 HG3 PRO A 20 -10.476 0.252 -3.652 1.00 71.01 H new ATOM 0 HD2 PRO A 20 -11.675 0.199 -6.099 1.00 24.14 H new ATOM 0 HD3 PRO A 20 -9.932 0.275 -5.935 1.00 24.14 H new ATOM 340 N PRO A 21 -11.581 -4.863 -5.424 1.00 61.13 N ATOM 341 CA PRO A 21 -12.660 -5.848 -5.313 1.00 71.01 C ATOM 342 C PRO A 21 -12.939 -6.242 -3.867 1.00 32.23 C ATOM 343 O PRO A 21 -12.533 -5.547 -2.935 1.00 61.20 O ATOM 344 CB PRO A 21 -12.129 -7.047 -6.102 1.00 33.24 C ATOM 345 CG PRO A 21 -10.647 -6.913 -6.044 1.00 1.31 C ATOM 346 CD PRO A 21 -10.365 -5.435 -6.029 1.00 73.52 C ATOM 0 HA PRO A 21 -13.607 -5.459 -5.689 1.00 71.01 H new ATOM 0 HB2 PRO A 21 -12.459 -7.988 -5.662 1.00 33.24 H new ATOM 0 HB3 PRO A 21 -12.488 -7.034 -7.131 1.00 33.24 H new ATOM 0 HG2 PRO A 21 -10.246 -7.396 -5.153 1.00 1.31 H new ATOM 0 HG3 PRO A 21 -10.178 -7.391 -6.904 1.00 1.31 H new ATOM 0 HD2 PRO A 21 -9.476 -5.201 -5.443 1.00 73.52 H new ATOM 0 HD3 PRO A 21 -10.195 -5.048 -7.034 1.00 73.52 H new ATOM 354 N ARG A 22 -13.633 -7.361 -3.686 1.00 24.21 N ATOM 355 CA ARG A 22 -13.965 -7.847 -2.353 1.00 53.11 C ATOM 356 C ARG A 22 -12.705 -8.223 -1.581 1.00 5.31 C ATOM 357 O ARG A 22 -12.037 -9.207 -1.901 1.00 13.03 O ATOM 358 CB ARG A 22 -14.899 -9.056 -2.445 1.00 61.35 C ATOM 359 CG ARG A 22 -16.242 -8.741 -3.082 1.00 54.52 C ATOM 360 CD ARG A 22 -17.176 -8.050 -2.099 1.00 73.55 C ATOM 361 NE ARG A 22 -17.646 -8.962 -1.059 1.00 51.25 N ATOM 362 CZ ARG A 22 -18.442 -8.591 -0.063 1.00 12.33 C ATOM 363 NH1 ARG A 22 -18.855 -7.334 0.028 1.00 3.10 N ATOM 364 NH2 ARG A 22 -18.827 -9.477 0.846 1.00 31.34 N ATOM 0 H ARG A 22 -13.976 -7.948 -4.446 1.00 24.21 H new ATOM 0 HA ARG A 22 -14.472 -7.044 -1.818 1.00 53.11 H new ATOM 0 HB2 ARG A 22 -14.408 -9.840 -3.021 1.00 61.35 H new ATOM 0 HB3 ARG A 22 -15.066 -9.453 -1.444 1.00 61.35 H new ATOM 0 HG2 ARG A 22 -16.092 -8.103 -3.953 1.00 54.52 H new ATOM 0 HG3 ARG A 22 -16.703 -9.663 -3.437 1.00 54.52 H new ATOM 0 HD2 ARG A 22 -16.659 -7.209 -1.637 1.00 73.55 H new ATOM 0 HD3 ARG A 22 -18.031 -7.642 -2.637 1.00 73.55 H new ATOM 0 HE ARG A 22 -17.347 -9.936 -1.100 1.00 51.25 H new ATOM 0 HH11 ARG A 22 -18.561 -6.649 -0.668 1.00 3.10 H new ATOM 0 HH12 ARG A 22 -19.466 -7.052 0.794 1.00 3.10 H new ATOM 0 HH21 ARG A 22 -18.512 -10.445 0.781 1.00 31.34 H new ATOM 0 HH22 ARG A 22 -19.438 -9.190 1.610 1.00 31.34 H new ATOM 378 N CYS A 23 -12.383 -7.432 -0.562 1.00 5.21 N ATOM 379 CA CYS A 23 -11.202 -7.680 0.256 1.00 53.31 C ATOM 380 C CYS A 23 -10.969 -9.176 0.436 1.00 21.51 C ATOM 381 O CYS A 23 -9.833 -9.628 0.581 1.00 44.33 O ATOM 382 CB CYS A 23 -11.352 -7.008 1.622 1.00 5.21 C ATOM 383 SG CYS A 23 -11.913 -5.276 1.542 1.00 63.34 S ATOM 0 H CYS A 23 -12.924 -6.614 -0.283 1.00 5.21 H new ATOM 0 HA CYS A 23 -10.339 -7.255 -0.258 1.00 53.31 H new ATOM 0 HB2 CYS A 23 -12.060 -7.581 2.221 1.00 5.21 H new ATOM 0 HB3 CYS A 23 -10.394 -7.045 2.140 1.00 5.21 H new ATOM 388 N THR A 24 -12.055 -9.945 0.425 1.00 52.24 N ATOM 389 CA THR A 24 -11.970 -11.390 0.588 1.00 75.23 C ATOM 390 C THR A 24 -11.106 -12.016 -0.500 1.00 63.31 C ATOM 391 O THR A 24 -10.171 -12.764 -0.211 1.00 34.43 O ATOM 392 CB THR A 24 -13.365 -12.041 0.558 1.00 60.40 C ATOM 393 OG1 THR A 24 -14.018 -11.862 1.820 1.00 65.23 O ATOM 394 CG2 THR A 24 -13.263 -13.526 0.240 1.00 11.34 C ATOM 0 H THR A 24 -13.003 -9.589 0.305 1.00 52.24 H new ATOM 0 HA THR A 24 -11.513 -11.572 1.561 1.00 75.23 H new ATOM 0 HB THR A 24 -13.950 -11.557 -0.224 1.00 60.40 H new ATOM 0 HG1 THR A 24 -14.905 -12.278 1.791 1.00 65.23 H new ATOM 0 HG21 THR A 24 -14.261 -13.964 0.224 1.00 11.34 H new ATOM 0 HG22 THR A 24 -12.793 -13.658 -0.735 1.00 11.34 H new ATOM 0 HG23 THR A 24 -12.661 -14.021 1.002 1.00 11.34 H new ATOM 402 N ILE A 25 -11.424 -11.706 -1.753 1.00 25.34 N ATOM 403 CA ILE A 25 -10.674 -12.239 -2.885 1.00 3.21 C ATOM 404 C ILE A 25 -9.498 -11.335 -3.239 1.00 50.23 C ATOM 405 O ILE A 25 -8.438 -11.809 -3.645 1.00 75.05 O ATOM 406 CB ILE A 25 -11.571 -12.405 -4.125 1.00 22.41 C ATOM 407 CG1 ILE A 25 -12.973 -12.856 -3.711 1.00 60.13 C ATOM 408 CG2 ILE A 25 -10.953 -13.401 -5.095 1.00 31.55 C ATOM 409 CD1 ILE A 25 -13.972 -12.843 -4.847 1.00 62.11 C ATOM 0 H ILE A 25 -12.195 -11.089 -2.010 1.00 25.34 H new ATOM 0 HA ILE A 25 -10.299 -13.217 -2.584 1.00 3.21 H new ATOM 0 HB ILE A 25 -11.654 -11.441 -4.627 1.00 22.41 H new ATOM 0 HG12 ILE A 25 -12.915 -13.864 -3.300 1.00 60.13 H new ATOM 0 HG13 ILE A 25 -13.334 -12.207 -2.913 1.00 60.13 H new ATOM 0 HG21 ILE A 25 -11.598 -13.508 -5.967 1.00 31.55 H new ATOM 0 HG22 ILE A 25 -9.973 -13.042 -5.411 1.00 31.55 H new ATOM 0 HG23 ILE A 25 -10.844 -14.368 -4.603 1.00 31.55 H new ATOM 0 HD11 ILE A 25 -14.944 -13.174 -4.481 1.00 62.11 H new ATOM 0 HD12 ILE A 25 -14.059 -11.831 -5.243 1.00 62.11 H new ATOM 0 HD13 ILE A 25 -13.634 -13.514 -5.637 1.00 62.11 H new ATOM 421 N ALA A 26 -9.694 -10.030 -3.079 1.00 0.40 N ATOM 422 CA ALA A 26 -8.649 -9.058 -3.379 1.00 24.22 C ATOM 423 C ALA A 26 -7.370 -9.373 -2.608 1.00 32.24 C ATOM 424 O ALA A 26 -6.296 -8.873 -2.939 1.00 54.43 O ATOM 425 CB ALA A 26 -9.128 -7.651 -3.057 1.00 52.44 C ATOM 0 H ALA A 26 -10.566 -9.622 -2.743 1.00 0.40 H new ATOM 0 HA ALA A 26 -8.426 -9.118 -4.444 1.00 24.22 H new ATOM 0 HB1 ALA A 26 -8.338 -6.936 -3.286 1.00 52.44 H new ATOM 0 HB2 ALA A 26 -10.010 -7.421 -3.655 1.00 52.44 H new ATOM 0 HB3 ALA A 26 -9.381 -7.586 -1.999 1.00 52.44 H new ATOM 431 N MET A 27 -7.494 -10.205 -1.579 1.00 75.05 N ATOM 432 CA MET A 27 -6.348 -10.585 -0.762 1.00 60.41 C ATOM 433 C MET A 27 -5.936 -12.027 -1.042 1.00 74.40 C ATOM 434 O MET A 27 -5.265 -12.660 -0.226 1.00 72.43 O ATOM 435 CB MET A 27 -6.674 -10.415 0.723 1.00 64.34 C ATOM 436 CG MET A 27 -7.769 -11.347 1.216 1.00 71.14 C ATOM 437 SD MET A 27 -7.122 -12.909 1.840 1.00 24.53 S ATOM 438 CE MET A 27 -6.592 -12.425 3.481 1.00 22.32 C ATOM 0 H MET A 27 -8.376 -10.629 -1.291 1.00 75.05 H new ATOM 0 HA MET A 27 -5.516 -9.930 -1.021 1.00 60.41 H new ATOM 0 HB2 MET A 27 -5.770 -10.589 1.307 1.00 64.34 H new ATOM 0 HB3 MET A 27 -6.977 -9.384 0.904 1.00 64.34 H new ATOM 0 HG2 MET A 27 -8.335 -10.851 2.005 1.00 71.14 H new ATOM 0 HG3 MET A 27 -8.465 -11.546 0.401 1.00 71.14 H new ATOM 0 HE1 MET A 27 -6.135 -13.278 3.982 1.00 22.32 H new ATOM 0 HE2 MET A 27 -5.865 -11.617 3.405 1.00 22.32 H new ATOM 0 HE3 MET A 27 -7.453 -12.085 4.056 1.00 22.32 H new ATOM 448 N ARG A 28 -6.343 -12.541 -2.198 1.00 52.12 N ATOM 449 CA ARG A 28 -6.018 -13.909 -2.584 1.00 40.52 C ATOM 450 C ARG A 28 -4.694 -13.959 -3.340 1.00 63.21 C ATOM 451 O ARG A 28 -3.806 -14.745 -3.006 1.00 14.22 O ATOM 452 CB ARG A 28 -7.135 -14.497 -3.449 1.00 4.41 C ATOM 453 CG ARG A 28 -7.030 -14.118 -4.918 1.00 34.01 C ATOM 454 CD ARG A 28 -8.159 -14.730 -5.732 1.00 60.13 C ATOM 455 NE ARG A 28 -8.517 -13.901 -6.880 1.00 22.21 N ATOM 456 CZ ARG A 28 -9.292 -14.319 -7.874 1.00 75.44 C ATOM 457 NH1 ARG A 28 -9.789 -15.548 -7.861 1.00 51.00 N ATOM 458 NH2 ARG A 28 -9.573 -13.506 -8.886 1.00 44.40 N ATOM 0 H ARG A 28 -6.899 -12.030 -2.884 1.00 52.12 H new ATOM 0 HA ARG A 28 -5.921 -14.504 -1.676 1.00 40.52 H new ATOM 0 HB2 ARG A 28 -7.118 -15.583 -3.360 1.00 4.41 H new ATOM 0 HB3 ARG A 28 -8.097 -14.161 -3.063 1.00 4.41 H new ATOM 0 HG2 ARG A 28 -7.055 -13.033 -5.018 1.00 34.01 H new ATOM 0 HG3 ARG A 28 -6.071 -14.453 -5.314 1.00 34.01 H new ATOM 0 HD2 ARG A 28 -7.861 -15.720 -6.078 1.00 60.13 H new ATOM 0 HD3 ARG A 28 -9.033 -14.865 -5.095 1.00 60.13 H new ATOM 0 HE ARG A 28 -8.152 -12.949 -6.920 1.00 22.21 H new ATOM 0 HH11 ARG A 28 -9.576 -16.176 -7.086 1.00 51.00 H new ATOM 0 HH12 ARG A 28 -10.384 -15.866 -8.626 1.00 51.00 H new ATOM 0 HH21 ARG A 28 -9.193 -12.559 -8.900 1.00 44.40 H new ATOM 0 HH22 ARG A 28 -10.168 -13.828 -9.649 1.00 44.40 H new ATOM 472 N ALA A 29 -4.568 -13.118 -4.360 1.00 63.12 N ATOM 473 CA ALA A 29 -3.352 -13.066 -5.162 1.00 62.33 C ATOM 474 C ALA A 29 -2.217 -12.392 -4.397 1.00 73.33 C ATOM 475 O ALA A 29 -1.044 -12.698 -4.613 1.00 34.44 O ATOM 476 CB ALA A 29 -3.614 -12.336 -6.473 1.00 2.25 C ATOM 0 H ALA A 29 -5.293 -12.463 -4.651 1.00 63.12 H new ATOM 0 HA ALA A 29 -3.049 -14.089 -5.383 1.00 62.33 H new ATOM 0 HB1 ALA A 29 -2.697 -12.305 -7.062 1.00 2.25 H new ATOM 0 HB2 ALA A 29 -4.387 -12.861 -7.034 1.00 2.25 H new ATOM 0 HB3 ALA A 29 -3.945 -11.319 -6.263 1.00 2.25 H new ATOM 482 N ILE A 30 -2.575 -11.475 -3.506 1.00 41.21 N ATOM 483 CA ILE A 30 -1.586 -10.759 -2.709 1.00 20.20 C ATOM 484 C ILE A 30 -0.990 -11.660 -1.633 1.00 20.31 C ATOM 485 O ILE A 30 0.161 -12.083 -1.732 1.00 52.14 O ATOM 486 CB ILE A 30 -2.198 -9.514 -2.039 1.00 70.51 C ATOM 487 CG1 ILE A 30 -2.918 -8.650 -3.077 1.00 62.45 C ATOM 488 CG2 ILE A 30 -1.118 -8.710 -1.330 1.00 32.25 C ATOM 489 CD1 ILE A 30 -2.300 -8.724 -4.457 1.00 3.44 C ATOM 0 H ILE A 30 -3.542 -11.210 -3.317 1.00 41.21 H new ATOM 0 HA ILE A 30 -0.798 -10.444 -3.393 1.00 20.20 H new ATOM 0 HB ILE A 30 -2.927 -9.840 -1.298 1.00 70.51 H new ATOM 0 HG12 ILE A 30 -3.961 -8.962 -3.137 1.00 62.45 H new ATOM 0 HG13 ILE A 30 -2.914 -7.613 -2.741 1.00 62.45 H new ATOM 0 HG21 ILE A 30 -1.565 -7.833 -0.861 1.00 32.25 H new ATOM 0 HG22 ILE A 30 -0.646 -9.328 -0.567 1.00 32.25 H new ATOM 0 HG23 ILE A 30 -0.368 -8.391 -2.054 1.00 32.25 H new ATOM 0 HD11 ILE A 30 -2.861 -8.088 -5.141 1.00 3.44 H new ATOM 0 HD12 ILE A 30 -1.265 -8.384 -4.411 1.00 3.44 H new ATOM 0 HD13 ILE A 30 -2.328 -9.754 -4.814 1.00 3.44 H new ATOM 501 N ASN A 31 -1.783 -11.951 -0.607 1.00 25.32 N ATOM 502 CA ASN A 31 -1.333 -12.805 0.488 1.00 70.04 C ATOM 503 C ASN A 31 -0.566 -14.012 -0.044 1.00 51.44 C ATOM 504 O ASN A 31 0.224 -14.623 0.675 1.00 61.12 O ATOM 505 CB ASN A 31 -2.529 -13.272 1.320 1.00 4.23 C ATOM 506 CG ASN A 31 -2.821 -12.343 2.483 1.00 21.32 C ATOM 507 OD1 ASN A 31 -2.319 -12.539 3.590 1.00 12.41 O ATOM 508 ND2 ASN A 31 -3.637 -11.325 2.236 1.00 73.23 N ATOM 0 H ASN A 31 -2.739 -11.609 -0.510 1.00 25.32 H new ATOM 0 HA ASN A 31 -0.663 -12.222 1.121 1.00 70.04 H new ATOM 0 HB2 ASN A 31 -3.409 -13.338 0.681 1.00 4.23 H new ATOM 0 HB3 ASN A 31 -2.335 -14.275 1.699 1.00 4.23 H new ATOM 0 HD21 ASN A 31 -3.871 -10.667 2.979 1.00 73.23 H new ATOM 0 HD22 ASN A 31 -4.030 -11.201 1.303 1.00 73.23 H new ATOM 515 N ASN A 32 -0.805 -14.349 -1.307 1.00 72.13 N ATOM 516 CA ASN A 32 -0.136 -15.483 -1.935 1.00 30.33 C ATOM 517 C ASN A 32 1.379 -15.312 -1.894 1.00 14.01 C ATOM 518 O ASN A 32 2.127 -16.240 -2.202 1.00 25.31 O ATOM 519 CB ASN A 32 -0.605 -15.640 -3.384 1.00 2.25 C ATOM 520 CG ASN A 32 -0.231 -16.988 -3.969 1.00 52.13 C ATOM 521 OD1 ASN A 32 0.939 -17.371 -3.975 1.00 63.44 O ATOM 522 ND2 ASN A 32 -1.226 -17.713 -4.465 1.00 2.03 N ATOM 0 H ASN A 32 -1.456 -13.854 -1.916 1.00 72.13 H new ATOM 0 HA ASN A 32 -0.397 -16.382 -1.376 1.00 30.33 H new ATOM 0 HB2 ASN A 32 -1.687 -15.515 -3.429 1.00 2.25 H new ATOM 0 HB3 ASN A 32 -0.167 -14.849 -3.993 1.00 2.25 H new ATOM 0 HD21 ASN A 32 -1.036 -18.628 -4.873 1.00 2.03 H new ATOM 0 HD22 ASN A 32 -2.181 -17.355 -4.438 1.00 2.03 H new ATOM 529 N TYR A 33 1.824 -14.121 -1.511 1.00 44.03 N ATOM 530 CA TYR A 33 3.250 -13.827 -1.432 1.00 54.12 C ATOM 531 C TYR A 33 3.887 -14.540 -0.243 1.00 43.20 C ATOM 532 O TYR A 33 5.104 -14.721 -0.193 1.00 54.13 O ATOM 533 CB TYR A 33 3.476 -12.319 -1.318 1.00 3.43 C ATOM 534 CG TYR A 33 2.909 -11.715 -0.052 1.00 74.30 C ATOM 535 CD1 TYR A 33 3.403 -12.076 1.195 1.00 3.23 C ATOM 536 CD2 TYR A 33 1.880 -10.783 -0.105 1.00 31.54 C ATOM 537 CE1 TYR A 33 2.888 -11.528 2.354 1.00 73.20 C ATOM 538 CE2 TYR A 33 1.358 -10.229 1.049 1.00 42.01 C ATOM 539 CZ TYR A 33 1.865 -10.605 2.275 1.00 1.21 C ATOM 540 OH TYR A 33 1.350 -10.055 3.427 1.00 62.50 O ATOM 0 H TYR A 33 1.218 -13.343 -1.250 1.00 44.03 H new ATOM 0 HA TYR A 33 3.721 -14.189 -2.346 1.00 54.12 H new ATOM 0 HB2 TYR A 33 4.546 -12.116 -1.359 1.00 3.43 H new ATOM 0 HB3 TYR A 33 3.025 -11.826 -2.179 1.00 3.43 H new ATOM 0 HD1 TYR A 33 4.204 -12.798 1.260 1.00 3.23 H new ATOM 0 HD2 TYR A 33 1.481 -10.486 -1.064 1.00 31.54 H new ATOM 0 HE1 TYR A 33 3.283 -11.820 3.316 1.00 73.20 H new ATOM 0 HE2 TYR A 33 0.558 -9.506 0.991 1.00 42.01 H new ATOM 0 HH TYR A 33 1.819 -10.425 4.204 1.00 62.50 H new ATOM 550 N ARG A 34 3.056 -14.942 0.713 1.00 52.53 N ATOM 551 CA ARG A 34 3.537 -15.633 1.902 1.00 34.54 C ATOM 552 C ARG A 34 2.489 -16.613 2.423 1.00 74.44 C ATOM 553 O ARG A 34 1.416 -16.759 1.835 1.00 2.25 O ATOM 554 CB ARG A 34 3.894 -14.625 2.996 1.00 22.33 C ATOM 555 CG ARG A 34 5.324 -14.114 2.909 1.00 32.34 C ATOM 556 CD ARG A 34 6.286 -15.025 3.655 1.00 44.35 C ATOM 557 NE ARG A 34 6.297 -14.753 5.089 1.00 15.11 N ATOM 558 CZ ARG A 34 6.966 -13.747 5.642 1.00 11.32 C ATOM 559 NH1 ARG A 34 7.675 -12.922 4.884 1.00 40.35 N ATOM 560 NH2 ARG A 34 6.927 -13.564 6.956 1.00 74.10 N ATOM 0 H ARG A 34 2.046 -14.801 0.687 1.00 52.53 H new ATOM 0 HA ARG A 34 4.431 -16.193 1.628 1.00 34.54 H new ATOM 0 HB2 ARG A 34 3.210 -13.778 2.936 1.00 22.33 H new ATOM 0 HB3 ARG A 34 3.741 -15.089 3.970 1.00 22.33 H new ATOM 0 HG2 ARG A 34 5.624 -14.044 1.863 1.00 32.34 H new ATOM 0 HG3 ARG A 34 5.378 -13.108 3.324 1.00 32.34 H new ATOM 0 HD2 ARG A 34 6.006 -16.065 3.486 1.00 44.35 H new ATOM 0 HD3 ARG A 34 7.291 -14.897 3.254 1.00 44.35 H new ATOM 0 HE ARG A 34 5.761 -15.369 5.700 1.00 15.11 H new ATOM 0 HH11 ARG A 34 7.708 -13.059 3.874 1.00 40.35 H new ATOM 0 HH12 ARG A 34 8.188 -12.151 5.311 1.00 40.35 H new ATOM 0 HH21 ARG A 34 6.383 -14.196 7.543 1.00 74.10 H new ATOM 0 HH22 ARG A 34 7.441 -12.791 7.379 1.00 74.10 H new ATOM 574 N TRP A 35 2.806 -17.281 3.525 1.00 23.12 N ATOM 575 CA TRP A 35 1.891 -18.247 4.124 1.00 4.54 C ATOM 576 C TRP A 35 1.203 -17.657 5.350 1.00 73.11 C ATOM 577 O TRP A 35 0.574 -18.377 6.125 1.00 13.43 O ATOM 578 CB TRP A 35 2.644 -19.522 4.510 1.00 54.31 C ATOM 579 CG TRP A 35 1.797 -20.755 4.441 1.00 2.12 C ATOM 580 CD1 TRP A 35 0.989 -21.251 5.425 1.00 0.33 C ATOM 581 CD2 TRP A 35 1.675 -21.651 3.331 1.00 33.13 C ATOM 582 NE1 TRP A 35 0.373 -22.400 4.993 1.00 21.32 N ATOM 583 CE2 TRP A 35 0.775 -22.666 3.712 1.00 45.15 C ATOM 584 CE3 TRP A 35 2.236 -21.693 2.051 1.00 11.35 C ATOM 585 CZ2 TRP A 35 0.429 -23.710 2.858 1.00 31.31 C ATOM 586 CZ3 TRP A 35 1.889 -22.730 1.207 1.00 45.44 C ATOM 587 CH2 TRP A 35 0.993 -23.726 1.612 1.00 30.54 C ATOM 0 H TRP A 35 3.690 -17.172 4.023 1.00 23.12 H new ATOM 0 HA TRP A 35 1.128 -18.494 3.386 1.00 4.54 H new ATOM 0 HB2 TRP A 35 3.503 -19.642 3.850 1.00 54.31 H new ATOM 0 HB3 TRP A 35 3.033 -19.413 5.522 1.00 54.31 H new ATOM 0 HD1 TRP A 35 0.855 -20.805 6.399 1.00 0.33 H new ATOM 0 HE1 TRP A 35 -0.279 -22.964 5.539 1.00 21.32 H new ATOM 0 HE3 TRP A 35 2.928 -20.929 1.728 1.00 11.35 H new ATOM 0 HZ2 TRP A 35 -0.261 -24.481 3.169 1.00 31.31 H new ATOM 0 HZ3 TRP A 35 2.317 -22.773 0.216 1.00 45.44 H new ATOM 0 HH2 TRP A 35 0.742 -24.523 0.927 1.00 30.54 H new ATOM 598 N ARG A 36 1.326 -16.345 5.519 1.00 63.13 N ATOM 599 CA ARG A 36 0.716 -15.660 6.652 1.00 52.32 C ATOM 600 C ARG A 36 -0.307 -14.631 6.178 1.00 5.51 C ATOM 601 O ARG A 36 -0.241 -14.149 5.048 1.00 41.35 O ATOM 602 CB ARG A 36 1.790 -14.975 7.499 1.00 13.21 C ATOM 603 CG ARG A 36 1.253 -14.360 8.781 1.00 2.22 C ATOM 604 CD ARG A 36 2.352 -13.659 9.565 1.00 35.35 C ATOM 605 NE ARG A 36 3.113 -14.590 10.392 1.00 5.05 N ATOM 606 CZ ARG A 36 4.269 -14.283 10.971 1.00 2.12 C ATOM 607 NH1 ARG A 36 4.793 -13.075 10.814 1.00 31.44 N ATOM 608 NH2 ARG A 36 4.903 -15.185 11.709 1.00 5.11 N ATOM 0 H ARG A 36 1.843 -15.735 4.886 1.00 63.13 H new ATOM 0 HA ARG A 36 0.202 -16.404 7.261 1.00 52.32 H new ATOM 0 HB2 ARG A 36 2.562 -15.703 7.750 1.00 13.21 H new ATOM 0 HB3 ARG A 36 2.268 -14.196 6.905 1.00 13.21 H new ATOM 0 HG2 ARG A 36 0.464 -13.647 8.541 1.00 2.22 H new ATOM 0 HG3 ARG A 36 0.803 -15.138 9.398 1.00 2.22 H new ATOM 0 HD2 ARG A 36 3.026 -13.155 8.873 1.00 35.35 H new ATOM 0 HD3 ARG A 36 1.911 -12.889 10.198 1.00 35.35 H new ATOM 0 HE ARG A 36 2.737 -15.528 10.533 1.00 5.05 H new ATOM 0 HH11 ARG A 36 4.309 -12.379 10.248 1.00 31.44 H new ATOM 0 HH12 ARG A 36 5.680 -12.842 11.260 1.00 31.44 H new ATOM 0 HH21 ARG A 36 4.503 -16.115 11.832 1.00 5.11 H new ATOM 0 HH22 ARG A 36 5.790 -14.948 12.153 1.00 5.11 H new ATOM 622 N CYS A 37 -1.252 -14.300 7.051 1.00 74.42 N ATOM 623 CA CYS A 37 -2.291 -13.330 6.724 1.00 65.05 C ATOM 624 C CYS A 37 -1.912 -11.939 7.223 1.00 43.13 C ATOM 625 O CYS A 37 -1.129 -11.796 8.163 1.00 54.34 O ATOM 626 CB CYS A 37 -3.627 -13.756 7.333 1.00 32.00 C ATOM 627 SG CYS A 37 -4.647 -14.796 6.238 1.00 24.12 S ATOM 0 H CYS A 37 -1.320 -14.689 7.991 1.00 74.42 H new ATOM 0 HA CYS A 37 -2.390 -13.294 5.639 1.00 65.05 H new ATOM 0 HB2 CYS A 37 -3.435 -14.300 8.258 1.00 32.00 H new ATOM 0 HB3 CYS A 37 -4.193 -12.864 7.600 1.00 32.00 H new ATOM 632 N LYS A 38 -2.473 -10.915 6.588 1.00 32.24 N ATOM 633 CA LYS A 38 -2.197 -9.534 6.967 1.00 24.04 C ATOM 634 C LYS A 38 -3.217 -9.036 7.986 1.00 71.04 C ATOM 635 O LYS A 38 -4.357 -9.498 8.014 1.00 10.43 O ATOM 636 CB LYS A 38 -2.211 -8.632 5.731 1.00 33.03 C ATOM 637 CG LYS A 38 -0.854 -8.494 5.064 1.00 74.14 C ATOM 638 CD LYS A 38 0.063 -7.570 5.848 1.00 33.33 C ATOM 639 CE LYS A 38 1.343 -7.275 5.082 1.00 3.00 C ATOM 640 NZ LYS A 38 1.109 -6.335 3.951 1.00 32.35 N ATOM 0 H LYS A 38 -3.122 -11.016 5.808 1.00 32.24 H new ATOM 0 HA LYS A 38 -1.208 -9.499 7.423 1.00 24.04 H new ATOM 0 HB2 LYS A 38 -2.923 -9.031 5.008 1.00 33.03 H new ATOM 0 HB3 LYS A 38 -2.568 -7.643 6.017 1.00 33.03 H new ATOM 0 HG2 LYS A 38 -0.391 -9.476 4.974 1.00 74.14 H new ATOM 0 HG3 LYS A 38 -0.982 -8.108 4.053 1.00 74.14 H new ATOM 0 HD2 LYS A 38 -0.457 -6.636 6.063 1.00 33.33 H new ATOM 0 HD3 LYS A 38 0.308 -8.027 6.807 1.00 33.33 H new ATOM 0 HE2 LYS A 38 2.082 -6.850 5.761 1.00 3.00 H new ATOM 0 HE3 LYS A 38 1.760 -8.207 4.700 1.00 3.00 H new ATOM 0 HZ1 LYS A 38 2.004 -5.872 3.694 1.00 32.35 H new ATOM 0 HZ2 LYS A 38 0.743 -6.861 3.132 1.00 32.35 H new ATOM 0 HZ3 LYS A 38 0.416 -5.614 4.236 1.00 32.35 H new ATOM 654 N ASN A 39 -2.799 -8.089 8.820 1.00 13.32 N ATOM 655 CA ASN A 39 -3.677 -7.527 9.840 1.00 23.12 C ATOM 656 C ASN A 39 -4.479 -6.355 9.282 1.00 43.43 C ATOM 657 O ASN A 39 -5.434 -5.893 9.905 1.00 41.45 O ATOM 658 CB ASN A 39 -2.860 -7.070 11.051 1.00 22.32 C ATOM 659 CG ASN A 39 -3.613 -6.077 11.915 1.00 63.33 C ATOM 660 OD1 ASN A 39 -3.311 -4.884 11.916 1.00 41.01 O ATOM 661 ND2 ASN A 39 -4.599 -6.567 12.656 1.00 31.44 N ATOM 0 H ASN A 39 -1.858 -7.695 8.809 1.00 13.32 H new ATOM 0 HA ASN A 39 -4.374 -8.305 10.153 1.00 23.12 H new ATOM 0 HB2 ASN A 39 -2.589 -7.938 11.652 1.00 22.32 H new ATOM 0 HB3 ASN A 39 -1.930 -6.617 10.708 1.00 22.32 H new ATOM 0 HD21 ASN A 39 -5.141 -5.947 13.258 1.00 31.44 H new ATOM 0 HD22 ASN A 39 -4.815 -7.563 12.624 1.00 31.44 H new ATOM 668 N GLN A 40 -4.081 -5.880 8.105 1.00 20.25 N ATOM 669 CA GLN A 40 -4.763 -4.762 7.464 1.00 33.13 C ATOM 670 C GLN A 40 -4.184 -4.494 6.079 1.00 64.31 C ATOM 671 O GLN A 40 -3.064 -4.902 5.774 1.00 32.15 O ATOM 672 CB GLN A 40 -4.650 -3.506 8.329 1.00 33.12 C ATOM 673 CG GLN A 40 -5.914 -2.660 8.339 1.00 11.32 C ATOM 674 CD GLN A 40 -5.635 -1.198 8.632 1.00 62.11 C ATOM 675 OE1 GLN A 40 -5.916 -0.708 9.726 1.00 45.50 O ATOM 676 NE2 GLN A 40 -5.079 -0.494 7.653 1.00 72.03 N ATOM 0 H GLN A 40 -3.291 -6.252 7.577 1.00 20.25 H new ATOM 0 HA GLN A 40 -5.815 -5.025 7.353 1.00 33.13 H new ATOM 0 HB2 GLN A 40 -4.410 -3.799 9.351 1.00 33.12 H new ATOM 0 HB3 GLN A 40 -3.819 -2.900 7.968 1.00 33.12 H new ATOM 0 HG2 GLN A 40 -6.411 -2.745 7.373 1.00 11.32 H new ATOM 0 HG3 GLN A 40 -6.603 -3.052 9.087 1.00 11.32 H new ATOM 0 HE21 GLN A 40 -4.863 -0.941 6.762 1.00 72.03 H new ATOM 0 HE22 GLN A 40 -4.868 0.494 7.792 1.00 72.03 H new ATOM 685 N ASN A 41 -4.955 -3.806 5.243 1.00 34.21 N ATOM 686 CA ASN A 41 -4.519 -3.484 3.889 1.00 22.33 C ATOM 687 C ASN A 41 -5.379 -2.375 3.290 1.00 5.53 C ATOM 688 O ASN A 41 -6.605 -2.399 3.395 1.00 75.13 O ATOM 689 CB ASN A 41 -4.581 -4.729 3.002 1.00 62.13 C ATOM 690 CG ASN A 41 -3.598 -4.666 1.848 1.00 12.45 C ATOM 691 OD1 ASN A 41 -2.904 -5.640 1.556 1.00 11.33 O ATOM 692 ND2 ASN A 41 -3.536 -3.517 1.186 1.00 13.32 N ATOM 0 H ASN A 41 -5.885 -3.461 5.480 1.00 34.21 H new ATOM 0 HA ASN A 41 -3.488 -3.133 3.939 1.00 22.33 H new ATOM 0 HB2 ASN A 41 -4.373 -5.613 3.605 1.00 62.13 H new ATOM 0 HB3 ASN A 41 -5.591 -4.842 2.609 1.00 62.13 H new ATOM 0 HD21 ASN A 41 -2.894 -3.415 0.400 1.00 13.32 H new ATOM 0 HD22 ASN A 41 -4.130 -2.736 1.463 1.00 13.32 H new ATOM 699 N THR A 42 -4.725 -1.403 2.660 1.00 12.01 N ATOM 700 CA THR A 42 -5.428 -0.285 2.045 1.00 74.03 C ATOM 701 C THR A 42 -5.056 -0.145 0.573 1.00 64.32 C ATOM 702 O THR A 42 -3.896 0.094 0.235 1.00 10.12 O ATOM 703 CB THR A 42 -5.122 1.039 2.769 1.00 62.14 C ATOM 704 OG1 THR A 42 -5.637 0.999 4.104 1.00 61.22 O ATOM 705 CG2 THR A 42 -5.727 2.218 2.021 1.00 31.24 C ATOM 0 H THR A 42 -3.710 -1.368 2.563 1.00 12.01 H new ATOM 0 HA THR A 42 -6.494 -0.497 2.129 1.00 74.03 H new ATOM 0 HB THR A 42 -4.040 1.167 2.802 1.00 62.14 H new ATOM 0 HG1 THR A 42 -5.437 1.844 4.557 1.00 61.22 H new ATOM 0 HG21 THR A 42 -5.497 3.142 2.552 1.00 31.24 H new ATOM 0 HG22 THR A 42 -5.309 2.264 1.015 1.00 31.24 H new ATOM 0 HG23 THR A 42 -6.808 2.094 1.960 1.00 31.24 H new ATOM 713 N PHE A 43 -6.047 -0.295 -0.301 1.00 2.41 N ATOM 714 CA PHE A 43 -5.822 -0.184 -1.737 1.00 0.04 C ATOM 715 C PHE A 43 -6.253 1.186 -2.251 1.00 43.14 C ATOM 716 O PHE A 43 -7.444 1.468 -2.380 1.00 73.40 O ATOM 717 CB PHE A 43 -6.587 -1.283 -2.480 1.00 4.14 C ATOM 718 CG PHE A 43 -6.221 -2.671 -2.038 1.00 1.35 C ATOM 719 CD1 PHE A 43 -6.403 -3.064 -0.721 1.00 32.04 C ATOM 720 CD2 PHE A 43 -5.695 -3.583 -2.937 1.00 20.00 C ATOM 721 CE1 PHE A 43 -6.067 -4.341 -0.312 1.00 15.54 C ATOM 722 CE2 PHE A 43 -5.357 -4.862 -2.534 1.00 53.41 C ATOM 723 CZ PHE A 43 -5.544 -5.240 -1.218 1.00 60.35 C ATOM 0 H PHE A 43 -7.013 -0.494 -0.039 1.00 2.41 H new ATOM 0 HA PHE A 43 -4.755 -0.303 -1.923 1.00 0.04 H new ATOM 0 HB2 PHE A 43 -7.657 -1.133 -2.333 1.00 4.14 H new ATOM 0 HB3 PHE A 43 -6.396 -1.188 -3.549 1.00 4.14 H new ATOM 0 HD1 PHE A 43 -6.812 -2.365 -0.007 1.00 32.04 H new ATOM 0 HD2 PHE A 43 -5.547 -3.292 -3.966 1.00 20.00 H new ATOM 0 HE1 PHE A 43 -6.214 -4.635 0.717 1.00 15.54 H new ATOM 0 HE2 PHE A 43 -4.948 -5.564 -3.246 1.00 53.41 H new ATOM 0 HZ PHE A 43 -5.281 -6.238 -0.899 1.00 60.35 H new ATOM 733 N LEU A 44 -5.274 2.035 -2.543 1.00 43.44 N ATOM 734 CA LEU A 44 -5.549 3.378 -3.044 1.00 14.21 C ATOM 735 C LEU A 44 -5.870 3.348 -4.535 1.00 70.10 C ATOM 736 O LEU A 44 -5.057 2.905 -5.346 1.00 51.01 O ATOM 737 CB LEU A 44 -4.352 4.295 -2.786 1.00 52.42 C ATOM 738 CG LEU A 44 -3.451 3.909 -1.612 1.00 34.01 C ATOM 739 CD1 LEU A 44 -2.561 5.076 -1.217 1.00 0.41 C ATOM 740 CD2 LEU A 44 -4.288 3.449 -0.427 1.00 71.24 C ATOM 0 H LEU A 44 -4.283 1.818 -2.442 1.00 43.44 H new ATOM 0 HA LEU A 44 -6.418 3.767 -2.512 1.00 14.21 H new ATOM 0 HB2 LEU A 44 -3.743 4.328 -3.690 1.00 52.42 H new ATOM 0 HB3 LEU A 44 -4.724 5.305 -2.616 1.00 52.42 H new ATOM 0 HG LEU A 44 -2.813 3.082 -1.924 1.00 34.01 H new ATOM 0 HD11 LEU A 44 -1.927 4.783 -0.380 1.00 0.41 H new ATOM 0 HD12 LEU A 44 -1.936 5.360 -2.064 1.00 0.41 H new ATOM 0 HD13 LEU A 44 -3.181 5.923 -0.923 1.00 0.41 H new ATOM 0 HD21 LEU A 44 -3.631 3.178 0.399 1.00 71.24 H new ATOM 0 HD22 LEU A 44 -4.950 4.256 -0.114 1.00 71.24 H new ATOM 0 HD23 LEU A 44 -4.883 2.583 -0.716 1.00 71.24 H new ATOM 752 N ARG A 45 -7.058 3.825 -4.889 1.00 33.34 N ATOM 753 CA ARG A 45 -7.486 3.854 -6.283 1.00 12.55 C ATOM 754 C ARG A 45 -6.680 4.878 -7.077 1.00 22.43 C ATOM 755 O ARG A 45 -7.153 5.981 -7.350 1.00 0.44 O ATOM 756 CB ARG A 45 -8.978 4.181 -6.373 1.00 53.34 C ATOM 757 CG ARG A 45 -9.867 3.183 -5.651 1.00 24.44 C ATOM 758 CD ARG A 45 -11.289 3.214 -6.186 1.00 33.54 C ATOM 759 NE ARG A 45 -12.127 4.162 -5.457 1.00 60.43 N ATOM 760 CZ ARG A 45 -13.214 4.729 -5.970 1.00 65.25 C ATOM 761 NH1 ARG A 45 -13.591 4.445 -7.209 1.00 63.54 N ATOM 762 NH2 ARG A 45 -13.924 5.582 -5.245 1.00 1.21 N ATOM 0 H ARG A 45 -7.742 4.197 -4.230 1.00 33.34 H new ATOM 0 HA ARG A 45 -7.311 2.868 -6.713 1.00 12.55 H new ATOM 0 HB2 ARG A 45 -9.149 5.174 -5.957 1.00 53.34 H new ATOM 0 HB3 ARG A 45 -9.269 4.221 -7.423 1.00 53.34 H new ATOM 0 HG2 ARG A 45 -9.456 2.180 -5.765 1.00 24.44 H new ATOM 0 HG3 ARG A 45 -9.874 3.406 -4.584 1.00 24.44 H new ATOM 0 HD2 ARG A 45 -11.273 3.482 -7.242 1.00 33.54 H new ATOM 0 HD3 ARG A 45 -11.724 2.217 -6.116 1.00 33.54 H new ATOM 0 HE ARG A 45 -11.864 4.402 -4.501 1.00 60.43 H new ATOM 0 HH11 ARG A 45 -13.046 3.790 -7.770 1.00 63.54 H new ATOM 0 HH12 ARG A 45 -14.426 4.881 -7.601 1.00 63.54 H new ATOM 0 HH21 ARG A 45 -13.636 5.804 -4.292 1.00 1.21 H new ATOM 0 HH22 ARG A 45 -14.758 6.016 -5.640 1.00 1.21 H new ATOM 776 N THR A 46 -5.459 4.504 -7.446 1.00 22.33 N ATOM 777 CA THR A 46 -4.587 5.388 -8.208 1.00 1.25 C ATOM 778 C THR A 46 -3.436 4.614 -8.840 1.00 64.53 C ATOM 779 O THR A 46 -3.117 3.500 -8.421 1.00 52.13 O ATOM 780 CB THR A 46 -4.011 6.508 -7.322 1.00 1.22 C ATOM 781 OG1 THR A 46 -3.463 7.547 -8.140 1.00 3.11 O ATOM 782 CG2 THR A 46 -2.934 5.965 -6.394 1.00 13.22 C ATOM 0 H THR A 46 -5.052 3.594 -7.229 1.00 22.33 H new ATOM 0 HA THR A 46 -5.197 5.833 -8.994 1.00 1.25 H new ATOM 0 HB THR A 46 -4.821 6.913 -6.715 1.00 1.22 H new ATOM 0 HG1 THR A 46 -3.246 8.323 -7.582 1.00 3.11 H new ATOM 0 HG21 THR A 46 -2.542 6.775 -5.778 1.00 13.22 H new ATOM 0 HG22 THR A 46 -3.361 5.195 -5.752 1.00 13.22 H new ATOM 0 HG23 THR A 46 -2.126 5.536 -6.986 1.00 13.22 H new ATOM 790 N THR A 47 -2.813 5.210 -9.852 1.00 43.11 N ATOM 791 CA THR A 47 -1.697 4.577 -10.543 1.00 23.14 C ATOM 792 C THR A 47 -0.395 4.763 -9.772 1.00 2.34 C ATOM 793 O THR A 47 -0.269 5.680 -8.960 1.00 71.03 O ATOM 794 CB THR A 47 -1.523 5.141 -11.966 1.00 3.44 C ATOM 795 OG1 THR A 47 -2.788 5.572 -12.479 1.00 70.23 O ATOM 796 CG2 THR A 47 -0.922 4.096 -12.893 1.00 21.12 C ATOM 0 H THR A 47 -3.063 6.131 -10.211 1.00 43.11 H new ATOM 0 HA THR A 47 -1.929 3.514 -10.608 1.00 23.14 H new ATOM 0 HB THR A 47 -0.843 5.991 -11.916 1.00 3.44 H new ATOM 0 HG1 THR A 47 -2.669 5.931 -13.383 1.00 70.23 H new ATOM 0 HG21 THR A 47 -0.809 4.518 -13.892 1.00 21.12 H new ATOM 0 HG22 THR A 47 0.054 3.792 -12.515 1.00 21.12 H new ATOM 0 HG23 THR A 47 -1.580 3.228 -12.938 1.00 21.12 H new ATOM 804 N PHE A 48 0.571 3.889 -10.030 1.00 61.13 N ATOM 805 CA PHE A 48 1.864 3.957 -9.360 1.00 41.22 C ATOM 806 C PHE A 48 2.519 5.319 -9.578 1.00 21.24 C ATOM 807 O PHE A 48 3.148 5.869 -8.675 1.00 22.54 O ATOM 808 CB PHE A 48 2.787 2.848 -9.869 1.00 40.14 C ATOM 809 CG PHE A 48 3.771 2.367 -8.841 1.00 51.25 C ATOM 810 CD1 PHE A 48 3.334 1.753 -7.679 1.00 21.51 C ATOM 811 CD2 PHE A 48 5.133 2.530 -9.038 1.00 13.24 C ATOM 812 CE1 PHE A 48 4.237 1.309 -6.732 1.00 2.33 C ATOM 813 CE2 PHE A 48 6.041 2.089 -8.093 1.00 33.30 C ATOM 814 CZ PHE A 48 5.593 1.477 -6.939 1.00 72.13 C ATOM 0 H PHE A 48 0.483 3.124 -10.699 1.00 61.13 H new ATOM 0 HA PHE A 48 1.698 3.819 -8.292 1.00 41.22 H new ATOM 0 HB2 PHE A 48 2.180 2.006 -10.201 1.00 40.14 H new ATOM 0 HB3 PHE A 48 3.332 3.212 -10.740 1.00 40.14 H new ATOM 0 HD1 PHE A 48 2.275 1.620 -7.511 1.00 21.51 H new ATOM 0 HD2 PHE A 48 5.489 3.007 -9.939 1.00 13.24 H new ATOM 0 HE1 PHE A 48 3.883 0.831 -5.831 1.00 2.33 H new ATOM 0 HE2 PHE A 48 7.100 2.223 -8.257 1.00 33.30 H new ATOM 0 HZ PHE A 48 6.300 1.131 -6.200 1.00 72.13 H new ATOM 824 N ALA A 49 2.366 5.856 -10.783 1.00 74.42 N ATOM 825 CA ALA A 49 2.939 7.153 -11.121 1.00 32.13 C ATOM 826 C ALA A 49 2.439 8.237 -10.174 1.00 55.42 C ATOM 827 O ALA A 49 3.217 9.055 -9.685 1.00 34.23 O ATOM 828 CB ALA A 49 2.612 7.515 -12.562 1.00 40.02 C ATOM 0 H ALA A 49 1.849 5.413 -11.543 1.00 74.42 H new ATOM 0 HA ALA A 49 4.021 7.084 -11.013 1.00 32.13 H new ATOM 0 HB1 ALA A 49 3.046 8.486 -12.801 1.00 40.02 H new ATOM 0 HB2 ALA A 49 3.025 6.759 -13.230 1.00 40.02 H new ATOM 0 HB3 ALA A 49 1.530 7.560 -12.689 1.00 40.02 H new ATOM 834 N ASN A 50 1.133 8.239 -9.920 1.00 4.24 N ATOM 835 CA ASN A 50 0.529 9.225 -9.031 1.00 72.20 C ATOM 836 C ASN A 50 1.068 9.080 -7.611 1.00 73.11 C ATOM 837 O ASN A 50 1.013 10.019 -6.817 1.00 11.25 O ATOM 838 CB ASN A 50 -0.994 9.075 -9.029 1.00 24.51 C ATOM 839 CG ASN A 50 -1.617 9.485 -10.350 1.00 71.31 C ATOM 840 OD1 ASN A 50 -1.671 10.669 -10.682 1.00 31.22 O ATOM 841 ND2 ASN A 50 -2.091 8.504 -11.110 1.00 40.42 N ATOM 0 H ASN A 50 0.474 7.569 -10.317 1.00 4.24 H new ATOM 0 HA ASN A 50 0.789 10.217 -9.399 1.00 72.20 H new ATOM 0 HB2 ASN A 50 -1.254 8.039 -8.814 1.00 24.51 H new ATOM 0 HB3 ASN A 50 -1.415 9.682 -8.228 1.00 24.51 H new ATOM 0 HD21 ASN A 50 -2.521 8.718 -12.010 1.00 40.42 H new ATOM 0 HD22 ASN A 50 -2.024 7.536 -10.794 1.00 40.42 H new ATOM 848 N VAL A 51 1.587 7.898 -7.299 1.00 43.12 N ATOM 849 CA VAL A 51 2.138 7.630 -5.976 1.00 21.01 C ATOM 850 C VAL A 51 3.612 8.010 -5.906 1.00 50.10 C ATOM 851 O VAL A 51 4.007 8.869 -5.117 1.00 73.13 O ATOM 852 CB VAL A 51 1.983 6.146 -5.593 1.00 63.02 C ATOM 853 CG1 VAL A 51 2.996 5.760 -4.527 1.00 1.43 C ATOM 854 CG2 VAL A 51 0.565 5.862 -5.121 1.00 70.11 C ATOM 0 H VAL A 51 1.638 7.110 -7.944 1.00 43.12 H new ATOM 0 HA VAL A 51 1.575 8.241 -5.270 1.00 21.01 H new ATOM 0 HB VAL A 51 2.175 5.539 -6.478 1.00 63.02 H new ATOM 0 HG11 VAL A 51 2.871 4.708 -4.270 1.00 1.43 H new ATOM 0 HG12 VAL A 51 4.004 5.923 -4.907 1.00 1.43 H new ATOM 0 HG13 VAL A 51 2.840 6.372 -3.638 1.00 1.43 H new ATOM 0 HG21 VAL A 51 0.474 4.809 -4.855 1.00 70.11 H new ATOM 0 HG22 VAL A 51 0.342 6.477 -4.249 1.00 70.11 H new ATOM 0 HG23 VAL A 51 -0.138 6.096 -5.920 1.00 70.11 H new ATOM 864 N VAL A 52 4.424 7.365 -6.737 1.00 73.13 N ATOM 865 CA VAL A 52 5.857 7.637 -6.772 1.00 34.21 C ATOM 866 C VAL A 52 6.129 9.126 -6.953 1.00 1.41 C ATOM 867 O VAL A 52 7.152 9.639 -6.501 1.00 71.21 O ATOM 868 CB VAL A 52 6.548 6.859 -7.907 1.00 43.11 C ATOM 869 CG1 VAL A 52 8.045 7.128 -7.905 1.00 13.13 C ATOM 870 CG2 VAL A 52 6.265 5.369 -7.781 1.00 5.31 C ATOM 0 H VAL A 52 4.114 6.650 -7.395 1.00 73.13 H new ATOM 0 HA VAL A 52 6.265 7.309 -5.816 1.00 34.21 H new ATOM 0 HB VAL A 52 6.143 7.203 -8.859 1.00 43.11 H new ATOM 0 HG11 VAL A 52 8.516 6.570 -8.714 1.00 13.13 H new ATOM 0 HG12 VAL A 52 8.223 8.194 -8.048 1.00 13.13 H new ATOM 0 HG13 VAL A 52 8.470 6.814 -6.952 1.00 13.13 H new ATOM 0 HG21 VAL A 52 6.761 4.835 -8.591 1.00 5.31 H new ATOM 0 HG22 VAL A 52 6.641 5.007 -6.824 1.00 5.31 H new ATOM 0 HG23 VAL A 52 5.190 5.197 -7.837 1.00 5.31 H new ATOM 880 N ASN A 53 5.206 9.815 -7.616 1.00 31.10 N ATOM 881 CA ASN A 53 5.346 11.246 -7.856 1.00 51.42 C ATOM 882 C ASN A 53 5.212 12.033 -6.555 1.00 24.32 C ATOM 883 O ASN A 53 5.798 13.104 -6.401 1.00 60.33 O ATOM 884 CB ASN A 53 4.296 11.721 -8.863 1.00 1.54 C ATOM 885 CG ASN A 53 3.983 13.198 -8.718 1.00 55.22 C ATOM 886 OD1 ASN A 53 4.828 14.053 -8.986 1.00 23.51 O ATOM 887 ND2 ASN A 53 2.764 13.505 -8.291 1.00 75.03 N ATOM 0 H ASN A 53 4.353 9.405 -7.997 1.00 31.10 H new ATOM 0 HA ASN A 53 6.340 11.424 -8.266 1.00 51.42 H new ATOM 0 HB2 ASN A 53 4.652 11.525 -9.875 1.00 1.54 H new ATOM 0 HB3 ASN A 53 3.381 11.144 -8.730 1.00 1.54 H new ATOM 0 HD21 ASN A 53 2.496 14.482 -8.173 1.00 75.03 H new ATOM 0 HD22 ASN A 53 2.096 12.764 -8.081 1.00 75.03 H new ATOM 894 N VAL A 54 4.437 11.491 -5.620 1.00 51.35 N ATOM 895 CA VAL A 54 4.227 12.140 -4.332 1.00 32.23 C ATOM 896 C VAL A 54 5.526 12.215 -3.536 1.00 54.33 C ATOM 897 O VAL A 54 5.750 13.162 -2.781 1.00 44.23 O ATOM 898 CB VAL A 54 3.167 11.398 -3.496 1.00 61.20 C ATOM 899 CG1 VAL A 54 3.301 11.757 -2.024 1.00 62.43 C ATOM 900 CG2 VAL A 54 1.770 11.715 -4.006 1.00 21.14 C ATOM 0 H VAL A 54 3.945 10.605 -5.731 1.00 51.35 H new ATOM 0 HA VAL A 54 3.873 13.150 -4.540 1.00 32.23 H new ATOM 0 HB VAL A 54 3.332 10.326 -3.600 1.00 61.20 H new ATOM 0 HG11 VAL A 54 2.544 11.224 -1.449 1.00 62.43 H new ATOM 0 HG12 VAL A 54 4.292 11.474 -1.669 1.00 62.43 H new ATOM 0 HG13 VAL A 54 3.163 12.831 -1.897 1.00 62.43 H new ATOM 0 HG21 VAL A 54 1.033 11.183 -3.404 1.00 21.14 H new ATOM 0 HG22 VAL A 54 1.591 12.788 -3.933 1.00 21.14 H new ATOM 0 HG23 VAL A 54 1.683 11.402 -5.047 1.00 21.14 H new ATOM 910 N CYS A 55 6.378 11.211 -3.710 1.00 71.44 N ATOM 911 CA CYS A 55 7.655 11.162 -3.008 1.00 64.45 C ATOM 912 C CYS A 55 8.549 12.326 -3.424 1.00 45.45 C ATOM 913 O CYS A 55 9.618 12.537 -2.853 1.00 24.11 O ATOM 914 CB CYS A 55 8.364 9.834 -3.289 1.00 52.55 C ATOM 915 SG CYS A 55 7.239 8.411 -3.458 1.00 52.43 S ATOM 0 H CYS A 55 6.208 10.420 -4.331 1.00 71.44 H new ATOM 0 HA CYS A 55 7.458 11.242 -1.939 1.00 64.45 H new ATOM 0 HB2 CYS A 55 8.948 9.933 -4.204 1.00 52.55 H new ATOM 0 HB3 CYS A 55 9.068 9.633 -2.482 1.00 52.55 H new ATOM 920 N GLY A 56 8.104 13.079 -4.425 1.00 54.43 N ATOM 921 CA GLY A 56 8.874 14.213 -4.900 1.00 43.25 C ATOM 922 C GLY A 56 8.470 15.512 -4.230 1.00 63.14 C ATOM 923 O GLY A 56 9.155 16.526 -4.363 1.00 34.33 O ATOM 0 H GLY A 56 7.223 12.924 -4.916 1.00 54.43 H new ATOM 0 HA2 GLY A 56 9.933 14.030 -4.720 1.00 43.25 H new ATOM 0 HA3 GLY A 56 8.746 14.309 -5.978 1.00 43.25 H new ATOM 927 N ASN A 57 7.352 15.482 -3.511 1.00 63.00 N ATOM 928 CA ASN A 57 6.857 16.666 -2.820 1.00 12.10 C ATOM 929 C ASN A 57 7.527 16.822 -1.459 1.00 14.12 C ATOM 930 O ASN A 57 8.148 15.889 -0.952 1.00 2.12 O ATOM 931 CB ASN A 57 5.338 16.584 -2.648 1.00 62.32 C ATOM 932 CG ASN A 57 4.928 15.531 -1.636 1.00 43.11 C ATOM 933 OD1 ASN A 57 5.762 14.999 -0.903 1.00 43.52 O ATOM 934 ND2 ASN A 57 3.637 15.225 -1.592 1.00 21.25 N ATOM 0 H ASN A 57 6.773 14.651 -3.392 1.00 63.00 H new ATOM 0 HA ASN A 57 7.101 17.538 -3.426 1.00 12.10 H new ATOM 0 HB2 ASN A 57 4.958 17.555 -2.332 1.00 62.32 H new ATOM 0 HB3 ASN A 57 4.878 16.359 -3.610 1.00 62.32 H new ATOM 0 HD21 ASN A 57 3.301 14.524 -0.932 1.00 21.25 H new ATOM 0 HD22 ASN A 57 2.981 15.691 -2.218 1.00 21.25 H new ATOM 941 N GLN A 58 7.395 18.008 -0.873 1.00 32.22 N ATOM 942 CA GLN A 58 7.987 18.286 0.430 1.00 21.14 C ATOM 943 C GLN A 58 7.704 17.152 1.410 1.00 35.30 C ATOM 944 O GLN A 58 6.583 17.007 1.901 1.00 42.43 O ATOM 945 CB GLN A 58 7.450 19.604 0.988 1.00 12.50 C ATOM 946 CG GLN A 58 8.133 20.046 2.273 1.00 23.31 C ATOM 947 CD GLN A 58 9.636 20.174 2.119 1.00 1.03 C ATOM 948 OE1 GLN A 58 10.125 20.984 1.331 1.00 12.32 O ATOM 949 NE2 GLN A 58 10.378 19.373 2.875 1.00 65.30 N ATOM 0 H GLN A 58 6.884 18.791 -1.280 1.00 32.22 H new ATOM 0 HA GLN A 58 9.066 18.368 0.300 1.00 21.14 H new ATOM 0 HB2 GLN A 58 7.571 20.383 0.236 1.00 12.50 H new ATOM 0 HB3 GLN A 58 6.380 19.502 1.172 1.00 12.50 H new ATOM 0 HG2 GLN A 58 7.721 21.004 2.588 1.00 23.31 H new ATOM 0 HG3 GLN A 58 7.912 19.328 3.063 1.00 23.31 H new ATOM 0 HE21 GLN A 58 9.930 18.717 3.515 1.00 65.30 H new ATOM 0 HE22 GLN A 58 11.395 19.414 2.816 1.00 65.30 H new ATOM 958 N SER A 59 8.725 16.349 1.691 1.00 10.32 N ATOM 959 CA SER A 59 8.585 15.226 2.609 1.00 31.45 C ATOM 960 C SER A 59 8.333 15.715 4.032 1.00 10.32 C ATOM 961 O SER A 59 8.493 16.899 4.330 1.00 30.15 O ATOM 962 CB SER A 59 9.838 14.350 2.573 1.00 2.11 C ATOM 963 OG SER A 59 9.634 13.135 3.275 1.00 13.52 O ATOM 0 H SER A 59 9.659 16.456 1.295 1.00 10.32 H new ATOM 0 HA SER A 59 7.728 14.634 2.290 1.00 31.45 H new ATOM 0 HB2 SER A 59 10.105 14.135 1.538 1.00 2.11 H new ATOM 0 HB3 SER A 59 10.676 14.891 3.013 1.00 2.11 H new ATOM 0 HG SER A 59 8.694 12.869 3.202 1.00 13.52 H new ATOM 969 N ILE A 60 7.939 14.796 4.907 1.00 61.22 N ATOM 970 CA ILE A 60 7.666 15.132 6.299 1.00 70.24 C ATOM 971 C ILE A 60 7.972 13.955 7.219 1.00 45.34 C ATOM 972 O ILE A 60 8.256 12.851 6.757 1.00 22.34 O ATOM 973 CB ILE A 60 6.199 15.558 6.498 1.00 23.21 C ATOM 974 CG1 ILE A 60 5.267 14.636 5.708 1.00 14.11 C ATOM 975 CG2 ILE A 60 6.006 17.006 6.075 1.00 33.41 C ATOM 976 CD1 ILE A 60 3.805 14.820 6.050 1.00 42.01 C ATOM 0 H ILE A 60 7.802 13.812 4.676 1.00 61.22 H new ATOM 0 HA ILE A 60 8.316 15.968 6.555 1.00 70.24 H new ATOM 0 HB ILE A 60 5.951 15.474 7.556 1.00 23.21 H new ATOM 0 HG12 ILE A 60 5.408 14.816 4.642 1.00 14.11 H new ATOM 0 HG13 ILE A 60 5.549 13.600 5.896 1.00 14.11 H new ATOM 0 HG21 ILE A 60 4.964 17.292 6.222 1.00 33.41 H new ATOM 0 HG22 ILE A 60 6.647 17.650 6.677 1.00 33.41 H new ATOM 0 HG23 ILE A 60 6.268 17.116 5.023 1.00 33.41 H new ATOM 0 HD11 ILE A 60 3.203 14.135 5.453 1.00 42.01 H new ATOM 0 HD12 ILE A 60 3.650 14.611 7.109 1.00 42.01 H new ATOM 0 HD13 ILE A 60 3.507 15.846 5.835 1.00 42.01 H new ATOM 988 N ARG A 61 7.912 14.201 8.524 1.00 42.41 N ATOM 989 CA ARG A 61 8.182 13.161 9.509 1.00 12.53 C ATOM 990 C ARG A 61 6.961 12.267 9.706 1.00 40.02 C ATOM 991 O ARG A 61 5.899 12.730 10.124 1.00 41.42 O ATOM 992 CB ARG A 61 8.588 13.788 10.845 1.00 52.22 C ATOM 993 CG ARG A 61 7.635 14.872 11.323 1.00 3.12 C ATOM 994 CD ARG A 61 7.857 15.200 12.792 1.00 41.33 C ATOM 995 NE ARG A 61 6.950 16.244 13.262 1.00 23.34 N ATOM 996 CZ ARG A 61 6.705 16.479 14.547 1.00 70.15 C ATOM 997 NH1 ARG A 61 7.296 15.751 15.483 1.00 21.40 N ATOM 998 NH2 ARG A 61 5.866 17.447 14.896 1.00 23.44 N ATOM 0 H ARG A 61 7.679 15.110 8.923 1.00 42.41 H new ATOM 0 HA ARG A 61 9.003 12.548 9.137 1.00 12.53 H new ATOM 0 HB2 ARG A 61 8.644 13.006 11.602 1.00 52.22 H new ATOM 0 HB3 ARG A 61 9.588 14.211 10.749 1.00 52.22 H new ATOM 0 HG2 ARG A 61 7.774 15.771 10.723 1.00 3.12 H new ATOM 0 HG3 ARG A 61 6.606 14.545 11.173 1.00 3.12 H new ATOM 0 HD2 ARG A 61 7.715 14.300 13.390 1.00 41.33 H new ATOM 0 HD3 ARG A 61 8.888 15.522 12.940 1.00 41.33 H new ATOM 0 HE ARG A 61 6.480 16.824 12.567 1.00 23.34 H new ATOM 0 HH11 ARG A 61 7.942 15.007 15.219 1.00 21.40 H new ATOM 0 HH12 ARG A 61 7.105 15.935 16.468 1.00 21.40 H new ATOM 0 HH21 ARG A 61 5.410 18.010 14.178 1.00 23.44 H new ATOM 0 HH22 ARG A 61 5.678 17.628 15.882 1.00 23.44 H new ATOM 1012 N CYS A 62 7.119 10.984 9.401 1.00 64.24 N ATOM 1013 CA CYS A 62 6.031 10.024 9.542 1.00 25.30 C ATOM 1014 C CYS A 62 5.616 9.883 11.003 1.00 3.22 C ATOM 1015 O CYS A 62 6.439 9.944 11.917 1.00 11.20 O ATOM 1016 CB CYS A 62 6.450 8.661 8.985 1.00 3.32 C ATOM 1017 SG CYS A 62 6.083 8.436 7.216 1.00 51.31 S ATOM 0 H CYS A 62 7.991 10.584 9.054 1.00 64.24 H new ATOM 0 HA CYS A 62 5.177 10.394 8.974 1.00 25.30 H new ATOM 0 HB2 CYS A 62 7.521 8.530 9.142 1.00 3.32 H new ATOM 0 HB3 CYS A 62 5.946 7.878 9.552 1.00 3.32 H new ATOM 1022 N PRO A 63 4.309 9.690 11.231 1.00 33.32 N ATOM 1023 CA PRO A 63 3.754 9.535 12.580 1.00 61.20 C ATOM 1024 C PRO A 63 4.163 8.216 13.227 1.00 54.03 C ATOM 1025 O PRO A 63 4.239 8.111 14.451 1.00 71.12 O ATOM 1026 CB PRO A 63 2.241 9.571 12.347 1.00 5.34 C ATOM 1027 CG PRO A 63 2.063 9.115 10.940 1.00 64.43 C ATOM 1028 CD PRO A 63 3.271 9.606 10.190 1.00 72.42 C ATOM 0 HA PRO A 63 4.113 10.308 13.260 1.00 61.20 H new ATOM 0 HB2 PRO A 63 1.717 8.917 13.044 1.00 5.34 H new ATOM 0 HB3 PRO A 63 1.842 10.575 12.491 1.00 5.34 H new ATOM 0 HG2 PRO A 63 1.986 8.029 10.888 1.00 64.43 H new ATOM 0 HG3 PRO A 63 1.146 9.520 10.511 1.00 64.43 H new ATOM 0 HD2 PRO A 63 3.556 8.919 9.393 1.00 72.42 H new ATOM 0 HD3 PRO A 63 3.089 10.575 9.725 1.00 72.42 H new ATOM 1036 N HIS A 64 4.425 7.211 12.397 1.00 71.32 N ATOM 1037 CA HIS A 64 4.827 5.899 12.889 1.00 33.45 C ATOM 1038 C HIS A 64 6.255 5.932 13.425 1.00 51.23 C ATOM 1039 O HIS A 64 6.639 5.103 14.247 1.00 0.25 O ATOM 1040 CB HIS A 64 4.711 4.856 11.777 1.00 51.02 C ATOM 1041 CG HIS A 64 4.722 3.444 12.275 1.00 33.14 C ATOM 1042 ND1 HIS A 64 3.796 2.955 13.172 1.00 74.13 N ATOM 1043 CD2 HIS A 64 5.553 2.413 11.997 1.00 21.51 C ATOM 1044 CE1 HIS A 64 4.057 1.685 13.424 1.00 3.24 C ATOM 1045 NE2 HIS A 64 5.119 1.331 12.723 1.00 51.24 N ATOM 0 H HIS A 64 4.366 7.281 11.381 1.00 71.32 H new ATOM 0 HA HIS A 64 4.158 5.625 13.705 1.00 33.45 H new ATOM 0 HB2 HIS A 64 3.789 5.030 11.223 1.00 51.02 H new ATOM 0 HB3 HIS A 64 5.535 4.991 11.076 1.00 51.02 H new ATOM 0 HD2 HIS A 64 6.401 2.437 11.328 1.00 21.51 H new ATOM 0 HE1 HIS A 64 3.497 1.045 14.090 1.00 3.24 H new ATOM 0 HE2 HIS A 64 5.547 0.405 12.721 1.00 51.24 H new ATOM 1054 N ASN A 65 7.036 6.897 12.950 1.00 40.33 N ATOM 1055 CA ASN A 65 8.422 7.039 13.380 1.00 44.00 C ATOM 1056 C ASN A 65 8.811 8.510 13.490 1.00 13.11 C ATOM 1057 O ASN A 65 9.018 9.184 12.481 1.00 34.11 O ATOM 1058 CB ASN A 65 9.357 6.325 12.402 1.00 24.21 C ATOM 1059 CG ASN A 65 8.903 4.911 12.095 1.00 72.42 C ATOM 1060 OD1 ASN A 65 9.220 3.972 12.826 1.00 53.34 O ATOM 1061 ND2 ASN A 65 8.154 4.753 11.009 1.00 13.13 N ATOM 0 H ASN A 65 6.733 7.592 12.268 1.00 40.33 H new ATOM 0 HA ASN A 65 8.518 6.582 14.365 1.00 44.00 H new ATOM 0 HB2 ASN A 65 9.412 6.895 11.475 1.00 24.21 H new ATOM 0 HB3 ASN A 65 10.363 6.298 12.820 1.00 24.21 H new ATOM 0 HD21 ASN A 65 7.817 3.825 10.752 1.00 13.13 H new ATOM 0 HD22 ASN A 65 7.916 5.560 10.432 1.00 13.13 H new ATOM 1068 N ARG A 66 8.908 9.001 14.721 1.00 42.04 N ATOM 1069 CA ARG A 66 9.271 10.392 14.962 1.00 11.14 C ATOM 1070 C ARG A 66 10.759 10.617 14.711 1.00 71.22 C ATOM 1071 O ARG A 66 11.279 11.712 14.932 1.00 31.34 O ATOM 1072 CB ARG A 66 8.919 10.792 16.397 1.00 64.40 C ATOM 1073 CG ARG A 66 9.487 9.851 17.447 1.00 1.12 C ATOM 1074 CD ARG A 66 9.224 10.364 18.855 1.00 44.11 C ATOM 1075 NE ARG A 66 10.203 9.858 19.813 1.00 12.21 N ATOM 1076 CZ ARG A 66 10.052 9.942 21.131 1.00 63.11 C ATOM 1077 NH1 ARG A 66 8.968 10.509 21.643 1.00 64.23 N ATOM 1078 NH2 ARG A 66 10.987 9.458 21.939 1.00 54.22 N ATOM 0 H ARG A 66 8.740 8.456 15.567 1.00 42.04 H new ATOM 0 HA ARG A 66 8.705 11.014 14.269 1.00 11.14 H new ATOM 0 HB2 ARG A 66 9.289 11.800 16.586 1.00 64.40 H new ATOM 0 HB3 ARG A 66 7.834 10.826 16.500 1.00 64.40 H new ATOM 0 HG2 ARG A 66 9.043 8.862 17.330 1.00 1.12 H new ATOM 0 HG3 ARG A 66 10.560 9.738 17.294 1.00 1.12 H new ATOM 0 HD2 ARG A 66 9.247 11.454 18.854 1.00 44.11 H new ATOM 0 HD3 ARG A 66 8.223 10.067 19.168 1.00 44.11 H new ATOM 0 HE ARG A 66 11.048 9.416 19.451 1.00 12.21 H new ATOM 0 HH11 ARG A 66 8.247 10.882 21.025 1.00 64.23 H new ATOM 0 HH12 ARG A 66 8.855 10.572 22.655 1.00 64.23 H new ATOM 0 HH21 ARG A 66 11.822 9.021 21.549 1.00 54.22 H new ATOM 0 HH22 ARG A 66 10.871 9.523 22.950 1.00 54.22 H new ATOM 1092 N THR A 67 11.440 9.574 14.246 1.00 12.24 N ATOM 1093 CA THR A 67 12.868 9.657 13.967 1.00 74.23 C ATOM 1094 C THR A 67 13.185 9.135 12.570 1.00 43.30 C ATOM 1095 O THR A 67 14.168 8.419 12.372 1.00 51.45 O ATOM 1096 CB THR A 67 13.690 8.863 14.999 1.00 40.00 C ATOM 1097 OG1 THR A 67 15.089 9.038 14.750 1.00 2.54 O ATOM 1098 CG2 THR A 67 13.343 7.383 14.944 1.00 34.30 C ATOM 0 H THR A 67 11.025 8.662 14.055 1.00 12.24 H new ATOM 0 HA THR A 67 13.142 10.710 14.030 1.00 74.23 H new ATOM 0 HB THR A 67 13.447 9.241 15.992 1.00 40.00 H new ATOM 0 HG1 THR A 67 15.275 8.878 13.801 1.00 2.54 H new ATOM 0 HG21 THR A 67 13.936 6.843 15.682 1.00 34.30 H new ATOM 0 HG22 THR A 67 12.283 7.249 15.162 1.00 34.30 H new ATOM 0 HG23 THR A 67 13.561 6.995 13.949 1.00 34.30 H new ATOM 1106 N LEU A 68 12.349 9.497 11.604 1.00 10.12 N ATOM 1107 CA LEU A 68 12.541 9.065 10.223 1.00 31.11 C ATOM 1108 C LEU A 68 11.904 10.053 9.250 1.00 23.12 C ATOM 1109 O LEU A 68 10.725 10.383 9.369 1.00 2.33 O ATOM 1110 CB LEU A 68 11.946 7.671 10.017 1.00 73.04 C ATOM 1111 CG LEU A 68 12.888 6.494 10.274 1.00 11.22 C ATOM 1112 CD1 LEU A 68 12.096 5.246 10.631 1.00 11.45 C ATOM 1113 CD2 LEU A 68 13.769 6.241 9.060 1.00 35.40 C ATOM 0 H LEU A 68 11.531 10.089 11.751 1.00 10.12 H new ATOM 0 HA LEU A 68 13.612 9.028 10.025 1.00 31.11 H new ATOM 0 HB2 LEU A 68 11.080 7.567 10.671 1.00 73.04 H new ATOM 0 HB3 LEU A 68 11.581 7.601 8.992 1.00 73.04 H new ATOM 0 HG LEU A 68 13.531 6.745 11.118 1.00 11.22 H new ATOM 0 HD11 LEU A 68 12.782 4.418 10.811 1.00 11.45 H new ATOM 0 HD12 LEU A 68 11.509 5.432 11.530 1.00 11.45 H new ATOM 0 HD13 LEU A 68 11.428 4.991 9.808 1.00 11.45 H new ATOM 0 HD21 LEU A 68 14.433 5.400 9.261 1.00 35.40 H new ATOM 0 HD22 LEU A 68 13.143 6.011 8.198 1.00 35.40 H new ATOM 0 HD23 LEU A 68 14.363 7.130 8.850 1.00 35.40 H new ATOM 1125 N ASN A 69 12.692 10.517 8.287 1.00 52.15 N ATOM 1126 CA ASN A 69 12.204 11.465 7.291 1.00 2.24 C ATOM 1127 C ASN A 69 12.505 10.974 5.879 1.00 62.23 C ATOM 1128 O ASN A 69 13.324 11.557 5.169 1.00 65.22 O ATOM 1129 CB ASN A 69 12.840 12.840 7.511 1.00 34.03 C ATOM 1130 CG ASN A 69 14.324 12.750 7.805 1.00 21.33 C ATOM 1131 OD1 ASN A 69 15.131 12.497 6.911 1.00 21.52 O ATOM 1132 ND2 ASN A 69 14.691 12.958 9.064 1.00 5.53 N ATOM 0 H ASN A 69 13.671 10.253 8.174 1.00 52.15 H new ATOM 0 HA ASN A 69 11.123 11.549 7.405 1.00 2.24 H new ATOM 0 HB2 ASN A 69 12.685 13.455 6.625 1.00 34.03 H new ATOM 0 HB3 ASN A 69 12.338 13.341 8.339 1.00 34.03 H new ATOM 0 HD21 ASN A 69 15.677 12.911 9.322 1.00 5.53 H new ATOM 0 HD22 ASN A 69 13.987 13.165 9.773 1.00 5.53 H new ATOM 1139 N ASN A 70 11.837 9.897 5.477 1.00 62.11 N ATOM 1140 CA ASN A 70 12.033 9.327 4.149 1.00 35.30 C ATOM 1141 C ASN A 70 10.693 9.036 3.479 1.00 22.22 C ATOM 1142 O ASN A 70 10.639 8.397 2.428 1.00 54.31 O ATOM 1143 CB ASN A 70 12.860 8.043 4.240 1.00 72.35 C ATOM 1144 CG ASN A 70 12.182 6.976 5.078 1.00 41.34 C ATOM 1145 OD1 ASN A 70 11.013 7.105 5.439 1.00 74.45 O ATOM 1146 ND2 ASN A 70 12.916 5.915 5.391 1.00 2.31 N ATOM 0 H ASN A 70 11.155 9.402 6.052 1.00 62.11 H new ATOM 0 HA ASN A 70 12.571 10.056 3.543 1.00 35.30 H new ATOM 0 HB2 ASN A 70 13.036 7.656 3.236 1.00 72.35 H new ATOM 0 HB3 ASN A 70 13.836 8.272 4.669 1.00 72.35 H new ATOM 0 HD21 ASN A 70 12.514 5.165 5.953 1.00 2.31 H new ATOM 0 HD22 ASN A 70 13.882 5.850 5.070 1.00 2.31 H new ATOM 1153 N CYS A 71 9.615 9.509 4.095 1.00 1.23 N ATOM 1154 CA CYS A 71 8.275 9.300 3.559 1.00 12.54 C ATOM 1155 C CYS A 71 7.564 10.632 3.340 1.00 40.22 C ATOM 1156 O CYS A 71 7.850 11.620 4.017 1.00 12.13 O ATOM 1157 CB CYS A 71 7.456 8.422 4.507 1.00 13.31 C ATOM 1158 SG CYS A 71 7.887 8.622 6.266 1.00 71.43 S ATOM 0 H CYS A 71 9.643 10.040 4.966 1.00 1.23 H new ATOM 0 HA CYS A 71 8.369 8.796 2.597 1.00 12.54 H new ATOM 0 HB2 CYS A 71 6.399 8.651 4.375 1.00 13.31 H new ATOM 0 HB3 CYS A 71 7.593 7.378 4.227 1.00 13.31 H new ATOM 1163 N HIS A 72 6.635 10.651 2.390 1.00 34.40 N ATOM 1164 CA HIS A 72 5.881 11.862 2.081 1.00 21.54 C ATOM 1165 C HIS A 72 4.380 11.608 2.184 1.00 2.04 C ATOM 1166 O HIS A 72 3.934 10.461 2.198 1.00 23.24 O ATOM 1167 CB HIS A 72 6.230 12.362 0.680 1.00 42.11 C ATOM 1168 CG HIS A 72 7.669 12.160 0.312 1.00 34.41 C ATOM 1169 ND1 HIS A 72 8.512 13.197 -0.023 1.00 62.24 N ATOM 1170 CD2 HIS A 72 8.411 11.031 0.232 1.00 0.10 C ATOM 1171 CE1 HIS A 72 9.712 12.715 -0.297 1.00 70.41 C ATOM 1172 NE2 HIS A 72 9.676 11.402 -0.149 1.00 1.41 N ATOM 0 H HIS A 72 6.386 9.842 1.821 1.00 34.40 H new ATOM 0 HA HIS A 72 6.154 12.626 2.809 1.00 21.54 H new ATOM 0 HB2 HIS A 72 5.602 11.847 -0.047 1.00 42.11 H new ATOM 0 HB3 HIS A 72 5.992 13.424 0.612 1.00 42.11 H new ATOM 0 HD1 HIS A 72 8.251 14.183 -0.055 1.00 62.24 H new ATOM 0 HD2 HIS A 72 8.071 10.025 0.431 1.00 0.10 H new ATOM 0 HE1 HIS A 72 10.574 13.295 -0.591 1.00 70.41 H new ATOM 1181 N ARG A 73 3.606 12.686 2.256 1.00 33.13 N ATOM 1182 CA ARG A 73 2.156 12.579 2.360 1.00 11.32 C ATOM 1183 C ARG A 73 1.479 13.131 1.108 1.00 25.24 C ATOM 1184 O ARG A 73 1.766 14.246 0.675 1.00 1.43 O ATOM 1185 CB ARG A 73 1.656 13.330 3.596 1.00 75.11 C ATOM 1186 CG ARG A 73 0.159 13.191 3.829 1.00 63.03 C ATOM 1187 CD ARG A 73 -0.413 14.420 4.516 1.00 34.34 C ATOM 1188 NE ARG A 73 -0.150 15.642 3.764 1.00 44.52 N ATOM 1189 CZ ARG A 73 -0.652 16.829 4.088 1.00 43.24 C ATOM 1190 NH1 ARG A 73 -1.440 16.951 5.146 1.00 13.33 N ATOM 1191 NH2 ARG A 73 -0.364 17.896 3.353 1.00 70.42 N ATOM 0 H ARG A 73 3.959 13.643 2.244 1.00 33.13 H new ATOM 0 HA ARG A 73 1.900 11.524 2.455 1.00 11.32 H new ATOM 0 HB2 ARG A 73 2.188 12.962 4.474 1.00 75.11 H new ATOM 0 HB3 ARG A 73 1.903 14.387 3.493 1.00 75.11 H new ATOM 0 HG2 ARG A 73 -0.346 13.037 2.875 1.00 63.03 H new ATOM 0 HG3 ARG A 73 -0.035 12.308 4.438 1.00 63.03 H new ATOM 0 HD2 ARG A 73 -1.489 14.297 4.642 1.00 34.34 H new ATOM 0 HD3 ARG A 73 0.016 14.510 5.514 1.00 34.34 H new ATOM 0 HE ARG A 73 0.453 15.582 2.944 1.00 44.52 H new ATOM 0 HH11 ARG A 73 -1.662 16.133 5.713 1.00 13.33 H new ATOM 0 HH12 ARG A 73 -1.824 17.863 5.393 1.00 13.33 H new ATOM 0 HH21 ARG A 73 0.243 17.805 2.538 1.00 70.42 H new ATOM 0 HH22 ARG A 73 -0.750 18.807 3.603 1.00 70.42 H new ATOM 1205 N SER A 74 0.580 12.340 0.532 1.00 65.52 N ATOM 1206 CA SER A 74 -0.134 12.746 -0.674 1.00 23.25 C ATOM 1207 C SER A 74 -0.693 14.157 -0.524 1.00 44.51 C ATOM 1208 O SER A 74 -1.378 14.466 0.450 1.00 21.44 O ATOM 1209 CB SER A 74 -1.269 11.765 -0.974 1.00 41.41 C ATOM 1210 OG SER A 74 -1.567 11.738 -2.359 1.00 52.53 O ATOM 0 H SER A 74 0.328 11.415 0.880 1.00 65.52 H new ATOM 0 HA SER A 74 0.572 12.739 -1.505 1.00 23.25 H new ATOM 0 HB2 SER A 74 -0.988 10.766 -0.640 1.00 41.41 H new ATOM 0 HB3 SER A 74 -2.159 12.051 -0.413 1.00 41.41 H new ATOM 0 HG SER A 74 -1.596 10.809 -2.669 1.00 52.53 H new ATOM 1216 N ARG A 75 -0.392 15.011 -1.498 1.00 12.14 N ATOM 1217 CA ARG A 75 -0.862 16.391 -1.475 1.00 13.43 C ATOM 1218 C ARG A 75 -2.309 16.481 -1.951 1.00 11.10 C ATOM 1219 O ARG A 75 -3.064 17.351 -1.518 1.00 14.34 O ATOM 1220 CB ARG A 75 0.030 17.271 -2.352 1.00 72.33 C ATOM 1221 CG ARG A 75 -0.194 17.072 -3.842 1.00 14.22 C ATOM 1222 CD ARG A 75 0.835 17.829 -4.667 1.00 15.25 C ATOM 1223 NE ARG A 75 0.697 19.276 -4.519 1.00 62.21 N ATOM 1224 CZ ARG A 75 1.612 20.146 -4.929 1.00 51.14 C ATOM 1225 NH1 ARG A 75 2.725 19.720 -5.511 1.00 3.35 N ATOM 1226 NH2 ARG A 75 1.415 21.448 -4.760 1.00 63.24 N ATOM 0 H ARG A 75 0.175 14.771 -2.312 1.00 12.14 H new ATOM 0 HA ARG A 75 -0.813 16.747 -0.446 1.00 13.43 H new ATOM 0 HB2 ARG A 75 -0.149 18.317 -2.103 1.00 72.33 H new ATOM 0 HB3 ARG A 75 1.074 17.062 -2.119 1.00 72.33 H new ATOM 0 HG2 ARG A 75 -0.142 16.010 -4.080 1.00 14.22 H new ATOM 0 HG3 ARG A 75 -1.195 17.410 -4.109 1.00 14.22 H new ATOM 0 HD2 ARG A 75 1.837 17.527 -4.362 1.00 15.25 H new ATOM 0 HD3 ARG A 75 0.727 17.560 -5.718 1.00 15.25 H new ATOM 0 HE ARG A 75 -0.148 19.637 -4.077 1.00 62.21 H new ATOM 0 HH11 ARG A 75 2.880 18.721 -5.645 1.00 3.35 H new ATOM 0 HH12 ARG A 75 3.426 20.392 -5.825 1.00 3.35 H new ATOM 0 HH21 ARG A 75 0.560 21.781 -4.315 1.00 63.24 H new ATOM 0 HH22 ARG A 75 2.119 22.115 -5.075 1.00 63.24 H new ATOM 1240 N PHE A 76 -2.689 15.575 -2.847 1.00 11.52 N ATOM 1241 CA PHE A 76 -4.044 15.552 -3.384 1.00 51.22 C ATOM 1242 C PHE A 76 -4.843 14.393 -2.796 1.00 35.11 C ATOM 1243 O PHE A 76 -4.323 13.289 -2.629 1.00 54.11 O ATOM 1244 CB PHE A 76 -4.010 15.441 -4.909 1.00 44.05 C ATOM 1245 CG PHE A 76 -3.084 16.427 -5.561 1.00 43.30 C ATOM 1246 CD1 PHE A 76 -3.186 17.781 -5.286 1.00 52.23 C ATOM 1247 CD2 PHE A 76 -2.110 16.001 -6.450 1.00 64.41 C ATOM 1248 CE1 PHE A 76 -2.335 18.691 -5.884 1.00 13.11 C ATOM 1249 CE2 PHE A 76 -1.256 16.905 -7.051 1.00 11.41 C ATOM 1250 CZ PHE A 76 -1.369 18.253 -6.768 1.00 20.41 C ATOM 0 H PHE A 76 -2.077 14.847 -3.216 1.00 11.52 H new ATOM 0 HA PHE A 76 -4.533 16.485 -3.106 1.00 51.22 H new ATOM 0 HB2 PHE A 76 -3.706 14.431 -5.185 1.00 44.05 H new ATOM 0 HB3 PHE A 76 -5.017 15.588 -5.299 1.00 44.05 H new ATOM 0 HD1 PHE A 76 -3.940 18.130 -4.596 1.00 52.23 H new ATOM 0 HD2 PHE A 76 -2.018 14.949 -6.676 1.00 64.41 H new ATOM 0 HE1 PHE A 76 -2.425 19.744 -5.660 1.00 13.11 H new ATOM 0 HE2 PHE A 76 -0.501 16.559 -7.741 1.00 11.41 H new ATOM 0 HZ PHE A 76 -0.703 18.962 -7.237 1.00 20.41 H new ATOM 1260 N ARG A 77 -6.109 14.652 -2.483 1.00 65.51 N ATOM 1261 CA ARG A 77 -6.979 13.630 -1.912 1.00 54.44 C ATOM 1262 C ARG A 77 -7.462 12.664 -2.989 1.00 42.43 C ATOM 1263 O ARG A 77 -7.935 13.082 -4.047 1.00 24.03 O ATOM 1264 CB ARG A 77 -8.178 14.282 -1.221 1.00 11.15 C ATOM 1265 CG ARG A 77 -7.899 14.705 0.213 1.00 62.52 C ATOM 1266 CD ARG A 77 -8.982 15.631 0.740 1.00 15.44 C ATOM 1267 NE ARG A 77 -10.318 15.202 0.331 1.00 44.50 N ATOM 1268 CZ ARG A 77 -11.427 15.527 0.985 1.00 0.11 C ATOM 1269 NH1 ARG A 77 -11.362 16.280 2.074 1.00 25.12 N ATOM 1270 NH2 ARG A 77 -12.605 15.098 0.549 1.00 20.52 N ATOM 0 H ARG A 77 -6.555 15.560 -2.615 1.00 65.51 H new ATOM 0 HA ARG A 77 -6.405 13.068 -1.176 1.00 54.44 H new ATOM 0 HB2 ARG A 77 -8.487 15.156 -1.795 1.00 11.15 H new ATOM 0 HB3 ARG A 77 -9.015 13.584 -1.229 1.00 11.15 H new ATOM 0 HG2 ARG A 77 -7.833 13.822 0.848 1.00 62.52 H new ATOM 0 HG3 ARG A 77 -6.933 15.207 0.264 1.00 62.52 H new ATOM 0 HD2 ARG A 77 -8.930 15.666 1.828 1.00 15.44 H new ATOM 0 HD3 ARG A 77 -8.800 16.643 0.379 1.00 15.44 H new ATOM 0 HE ARG A 77 -10.403 14.621 -0.503 1.00 44.50 H new ATOM 0 HH11 ARG A 77 -10.458 16.611 2.412 1.00 25.12 H new ATOM 0 HH12 ARG A 77 -12.216 16.528 2.574 1.00 25.12 H new ATOM 0 HH21 ARG A 77 -12.659 14.518 -0.289 1.00 20.52 H new ATOM 0 HH22 ARG A 77 -13.457 15.348 1.052 1.00 20.52 H new ATOM 1284 N VAL A 78 -7.340 11.369 -2.714 1.00 54.30 N ATOM 1285 CA VAL A 78 -7.765 10.343 -3.658 1.00 21.11 C ATOM 1286 C VAL A 78 -8.562 9.249 -2.958 1.00 32.23 C ATOM 1287 O VAL A 78 -8.368 8.965 -1.775 1.00 74.20 O ATOM 1288 CB VAL A 78 -6.559 9.707 -4.375 1.00 0.31 C ATOM 1289 CG1 VAL A 78 -5.496 10.755 -4.665 1.00 0.34 C ATOM 1290 CG2 VAL A 78 -5.986 8.568 -3.544 1.00 42.23 C ATOM 0 H VAL A 78 -6.950 11.006 -1.844 1.00 54.30 H new ATOM 0 HA VAL A 78 -8.399 10.834 -4.396 1.00 21.11 H new ATOM 0 HB VAL A 78 -6.898 9.297 -5.326 1.00 0.31 H new ATOM 0 HG11 VAL A 78 -4.652 10.287 -5.172 1.00 0.34 H new ATOM 0 HG12 VAL A 78 -5.916 11.533 -5.303 1.00 0.34 H new ATOM 0 HG13 VAL A 78 -5.157 11.198 -3.729 1.00 0.34 H new ATOM 0 HG21 VAL A 78 -5.135 8.130 -4.065 1.00 42.23 H new ATOM 0 HG22 VAL A 78 -5.661 8.951 -2.577 1.00 42.23 H new ATOM 0 HG23 VAL A 78 -6.751 7.806 -3.394 1.00 42.23 H new ATOM 1300 N PRO A 79 -9.481 8.617 -3.703 1.00 64.45 N ATOM 1301 CA PRO A 79 -10.325 7.541 -3.176 1.00 11.32 C ATOM 1302 C PRO A 79 -9.535 6.267 -2.895 1.00 53.32 C ATOM 1303 O PRO A 79 -8.993 5.646 -3.810 1.00 2.24 O ATOM 1304 CB PRO A 79 -11.340 7.304 -4.298 1.00 12.11 C ATOM 1305 CG PRO A 79 -10.649 7.759 -5.536 1.00 45.53 C ATOM 1306 CD PRO A 79 -9.764 8.903 -5.120 1.00 42.11 C ATOM 0 HA PRO A 79 -10.778 7.810 -2.222 1.00 11.32 H new ATOM 0 HB2 PRO A 79 -11.619 6.252 -4.364 1.00 12.11 H new ATOM 0 HB3 PRO A 79 -12.258 7.867 -4.127 1.00 12.11 H new ATOM 0 HG2 PRO A 79 -10.063 6.952 -5.975 1.00 45.53 H new ATOM 0 HG3 PRO A 79 -11.369 8.077 -6.290 1.00 45.53 H new ATOM 0 HD2 PRO A 79 -8.850 8.940 -5.713 1.00 42.11 H new ATOM 0 HD3 PRO A 79 -10.264 9.864 -5.244 1.00 42.11 H new ATOM 1314 N LEU A 80 -9.473 5.884 -1.625 1.00 12.33 N ATOM 1315 CA LEU A 80 -8.749 4.683 -1.222 1.00 64.00 C ATOM 1316 C LEU A 80 -9.699 3.644 -0.637 1.00 33.20 C ATOM 1317 O LEU A 80 -10.889 3.909 -0.455 1.00 24.25 O ATOM 1318 CB LEU A 80 -7.668 5.034 -0.199 1.00 45.43 C ATOM 1319 CG LEU A 80 -8.161 5.615 1.127 1.00 63.25 C ATOM 1320 CD1 LEU A 80 -9.119 4.650 1.808 1.00 42.42 C ATOM 1321 CD2 LEU A 80 -6.984 5.936 2.038 1.00 74.31 C ATOM 0 H LEU A 80 -9.915 6.387 -0.856 1.00 12.33 H new ATOM 0 HA LEU A 80 -8.278 4.259 -2.109 1.00 64.00 H new ATOM 0 HB2 LEU A 80 -7.092 4.134 0.014 1.00 45.43 H new ATOM 0 HB3 LEU A 80 -6.984 5.750 -0.654 1.00 45.43 H new ATOM 0 HG LEU A 80 -8.697 6.541 0.921 1.00 63.25 H new ATOM 0 HD11 LEU A 80 -9.460 5.080 2.750 1.00 42.42 H new ATOM 0 HD12 LEU A 80 -9.977 4.471 1.160 1.00 42.42 H new ATOM 0 HD13 LEU A 80 -8.608 3.707 2.003 1.00 42.42 H new ATOM 0 HD21 LEU A 80 -7.353 6.349 2.977 1.00 74.31 H new ATOM 0 HD22 LEU A 80 -6.420 5.025 2.238 1.00 74.31 H new ATOM 0 HD23 LEU A 80 -6.335 6.665 1.552 1.00 74.31 H new ATOM 1333 N LEU A 81 -9.168 2.462 -0.343 1.00 41.13 N ATOM 1334 CA LEU A 81 -9.970 1.383 0.224 1.00 64.11 C ATOM 1335 C LEU A 81 -9.381 0.907 1.548 1.00 23.03 C ATOM 1336 O LEU A 81 -8.162 0.870 1.720 1.00 11.23 O ATOM 1337 CB LEU A 81 -10.055 0.214 -0.759 1.00 0.22 C ATOM 1338 CG LEU A 81 -11.338 -0.617 -0.704 1.00 4.30 C ATOM 1339 CD1 LEU A 81 -11.509 -1.241 0.673 1.00 62.42 C ATOM 1340 CD2 LEU A 81 -12.544 0.241 -1.057 1.00 21.42 C ATOM 0 H LEU A 81 -8.186 2.226 -0.488 1.00 41.13 H new ATOM 0 HA LEU A 81 -10.973 1.767 0.410 1.00 64.11 H new ATOM 0 HB2 LEU A 81 -9.943 0.606 -1.770 1.00 0.22 H new ATOM 0 HB3 LEU A 81 -9.209 -0.449 -0.579 1.00 0.22 H new ATOM 0 HG LEU A 81 -11.262 -1.420 -1.438 1.00 4.30 H new ATOM 0 HD11 LEU A 81 -12.427 -1.829 0.695 1.00 62.42 H new ATOM 0 HD12 LEU A 81 -10.658 -1.888 0.887 1.00 62.42 H new ATOM 0 HD13 LEU A 81 -11.565 -0.454 1.425 1.00 62.42 H new ATOM 0 HD21 LEU A 81 -13.448 -0.366 -1.013 1.00 21.42 H new ATOM 0 HD22 LEU A 81 -12.625 1.064 -0.347 1.00 21.42 H new ATOM 0 HD23 LEU A 81 -12.424 0.640 -2.064 1.00 21.42 H new ATOM 1352 N HIS A 82 -10.255 0.541 2.480 1.00 22.35 N ATOM 1353 CA HIS A 82 -9.822 0.063 3.788 1.00 22.12 C ATOM 1354 C HIS A 82 -10.243 -1.388 4.004 1.00 1.10 C ATOM 1355 O HIS A 82 -11.431 -1.712 3.970 1.00 52.34 O ATOM 1356 CB HIS A 82 -10.402 0.945 4.895 1.00 63.32 C ATOM 1357 CG HIS A 82 -9.519 2.096 5.268 1.00 62.13 C ATOM 1358 ND1 HIS A 82 -9.990 3.378 5.448 1.00 14.14 N ATOM 1359 CD2 HIS A 82 -8.186 2.151 5.497 1.00 60.44 C ATOM 1360 CE1 HIS A 82 -8.986 4.174 5.770 1.00 65.22 C ATOM 1361 NE2 HIS A 82 -7.879 3.454 5.806 1.00 32.34 N ATOM 0 H HIS A 82 -11.267 0.566 2.354 1.00 22.35 H new ATOM 0 HA HIS A 82 -8.734 0.116 3.824 1.00 22.12 H new ATOM 0 HB2 HIS A 82 -11.370 1.330 4.572 1.00 63.32 H new ATOM 0 HB3 HIS A 82 -10.581 0.333 5.779 1.00 63.32 H new ATOM 0 HD2 HIS A 82 -7.493 1.324 5.446 1.00 60.44 H new ATOM 0 HE1 HIS A 82 -9.058 5.233 5.970 1.00 65.22 H new ATOM 0 HE2 HIS A 82 -6.948 3.808 6.027 1.00 32.34 H new ATOM 1370 N CYS A 83 -9.263 -2.257 4.226 1.00 63.30 N ATOM 1371 CA CYS A 83 -9.531 -3.673 4.447 1.00 72.43 C ATOM 1372 C CYS A 83 -8.754 -4.193 5.652 1.00 2.13 C ATOM 1373 O CYS A 83 -7.690 -4.795 5.505 1.00 3.54 O ATOM 1374 CB CYS A 83 -9.164 -4.483 3.201 1.00 32.13 C ATOM 1375 SG CYS A 83 -10.249 -4.178 1.770 1.00 42.12 S ATOM 0 H CYS A 83 -8.275 -2.005 4.258 1.00 63.30 H new ATOM 0 HA CYS A 83 -10.596 -3.788 4.647 1.00 72.43 H new ATOM 0 HB2 CYS A 83 -8.136 -4.252 2.920 1.00 32.13 H new ATOM 0 HB3 CYS A 83 -9.196 -5.544 3.448 1.00 32.13 H new ATOM 1380 N ASP A 84 -9.293 -3.957 6.843 1.00 43.32 N ATOM 1381 CA ASP A 84 -8.651 -4.402 8.075 1.00 61.52 C ATOM 1382 C ASP A 84 -9.013 -5.852 8.382 1.00 24.21 C ATOM 1383 O ASP A 84 -10.099 -6.318 8.039 1.00 73.30 O ATOM 1384 CB ASP A 84 -9.060 -3.502 9.242 1.00 30.34 C ATOM 1385 CG ASP A 84 -10.565 -3.357 9.361 1.00 44.24 C ATOM 1386 OD1 ASP A 84 -11.156 -2.622 8.542 1.00 2.23 O ATOM 1387 OD2 ASP A 84 -11.150 -3.977 10.272 1.00 63.43 O ATOM 0 H ASP A 84 -10.173 -3.460 6.982 1.00 43.32 H new ATOM 0 HA ASP A 84 -7.572 -4.337 7.938 1.00 61.52 H new ATOM 0 HB2 ASP A 84 -8.663 -3.913 10.170 1.00 30.34 H new ATOM 0 HB3 ASP A 84 -8.612 -2.517 9.112 1.00 30.34 H new ATOM 1392 N LEU A 85 -8.095 -6.561 9.031 1.00 51.42 N ATOM 1393 CA LEU A 85 -8.316 -7.959 9.385 1.00 54.44 C ATOM 1394 C LEU A 85 -9.430 -8.089 10.419 1.00 52.44 C ATOM 1395 O LEU A 85 -9.254 -7.728 11.583 1.00 34.30 O ATOM 1396 CB LEU A 85 -7.027 -8.578 9.927 1.00 51.11 C ATOM 1397 CG LEU A 85 -6.988 -10.105 9.981 1.00 33.44 C ATOM 1398 CD1 LEU A 85 -7.005 -10.690 8.579 1.00 70.54 C ATOM 1399 CD2 LEU A 85 -5.760 -10.581 10.745 1.00 55.14 C ATOM 0 H LEU A 85 -7.191 -6.190 9.323 1.00 51.42 H new ATOM 0 HA LEU A 85 -8.617 -8.493 8.484 1.00 54.44 H new ATOM 0 HB2 LEU A 85 -6.196 -8.235 9.311 1.00 51.11 H new ATOM 0 HB3 LEU A 85 -6.858 -8.194 10.933 1.00 51.11 H new ATOM 0 HG LEU A 85 -7.877 -10.453 10.508 1.00 33.44 H new ATOM 0 HD11 LEU A 85 -6.977 -11.778 8.638 1.00 70.54 H new ATOM 0 HD12 LEU A 85 -7.915 -10.378 8.066 1.00 70.54 H new ATOM 0 HD13 LEU A 85 -6.136 -10.334 8.026 1.00 70.54 H new ATOM 0 HD21 LEU A 85 -5.749 -11.671 10.773 1.00 55.14 H new ATOM 0 HD22 LEU A 85 -4.860 -10.222 10.247 1.00 55.14 H new ATOM 0 HD23 LEU A 85 -5.791 -10.192 11.763 1.00 55.14 H new ATOM 1411 N ILE A 86 -10.574 -8.607 9.986 1.00 73.40 N ATOM 1412 CA ILE A 86 -11.716 -8.788 10.875 1.00 43.14 C ATOM 1413 C ILE A 86 -11.523 -10.004 11.775 1.00 40.51 C ATOM 1414 O ILE A 86 -12.428 -10.391 12.512 1.00 61.42 O ATOM 1415 CB ILE A 86 -13.026 -8.952 10.083 1.00 64.44 C ATOM 1416 CG1 ILE A 86 -13.264 -7.732 9.190 1.00 4.21 C ATOM 1417 CG2 ILE A 86 -14.197 -9.158 11.031 1.00 13.42 C ATOM 1418 CD1 ILE A 86 -14.409 -7.910 8.217 1.00 42.40 C ATOM 0 H ILE A 86 -10.735 -8.909 9.025 1.00 73.40 H new ATOM 0 HA ILE A 86 -11.784 -7.890 11.490 1.00 43.14 H new ATOM 0 HB ILE A 86 -12.940 -9.833 9.447 1.00 64.44 H new ATOM 0 HG12 ILE A 86 -13.464 -6.865 9.819 1.00 4.21 H new ATOM 0 HG13 ILE A 86 -12.353 -7.517 8.631 1.00 4.21 H new ATOM 0 HG21 ILE A 86 -15.115 -9.272 10.455 1.00 13.42 H new ATOM 0 HG22 ILE A 86 -14.029 -10.055 11.628 1.00 13.42 H new ATOM 0 HG23 ILE A 86 -14.287 -8.295 11.691 1.00 13.42 H new ATOM 0 HD11 ILE A 86 -14.520 -7.007 7.617 1.00 42.40 H new ATOM 0 HD12 ILE A 86 -14.202 -8.757 7.563 1.00 42.40 H new ATOM 0 HD13 ILE A 86 -15.330 -8.094 8.769 1.00 42.40 H new ATOM 1430 N ASN A 87 -10.337 -10.599 11.711 1.00 42.10 N ATOM 1431 CA ASN A 87 -10.025 -11.771 12.521 1.00 0.44 C ATOM 1432 C ASN A 87 -8.646 -11.639 13.160 1.00 41.14 C ATOM 1433 O ASN A 87 -7.654 -12.182 12.674 1.00 61.04 O ATOM 1434 CB ASN A 87 -10.085 -13.038 11.667 1.00 24.12 C ATOM 1435 CG ASN A 87 -9.308 -12.900 10.372 1.00 65.23 C ATOM 1436 OD1 ASN A 87 -8.085 -12.754 10.381 1.00 72.32 O ATOM 1437 ND2 ASN A 87 -10.016 -12.945 9.250 1.00 70.20 N ATOM 0 H ASN A 87 -9.576 -10.289 11.107 1.00 42.10 H new ATOM 0 HA ASN A 87 -10.768 -11.841 13.315 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -9.688 -13.877 12.238 1.00 24.12 H new ATOM 0 HB3 ASN A 87 -11.125 -13.271 11.440 1.00 24.12 H new ATOM 0 HD21 ASN A 87 -9.548 -12.857 8.348 1.00 70.20 H new ATOM 0 HD22 ASN A 87 -11.028 -13.067 9.290 1.00 70.20 H new ATOM 1444 N PRO A 88 -8.580 -10.899 14.277 1.00 23.55 N ATOM 1445 CA PRO A 88 -7.328 -10.680 15.008 1.00 42.54 C ATOM 1446 C PRO A 88 -6.829 -11.945 15.698 1.00 21.03 C ATOM 1447 O PRO A 88 -7.485 -12.475 16.594 1.00 61.13 O ATOM 1448 CB PRO A 88 -7.704 -9.618 16.045 1.00 11.22 C ATOM 1449 CG PRO A 88 -9.171 -9.786 16.244 1.00 73.31 C ATOM 1450 CD PRO A 88 -9.722 -10.223 14.914 1.00 3.01 C ATOM 0 HA PRO A 88 -6.517 -10.380 14.345 1.00 42.54 H new ATOM 0 HB2 PRO A 88 -7.159 -9.764 16.977 1.00 11.22 H new ATOM 0 HB3 PRO A 88 -7.465 -8.616 15.690 1.00 11.22 H new ATOM 0 HG2 PRO A 88 -9.378 -10.528 17.015 1.00 73.31 H new ATOM 0 HG3 PRO A 88 -9.630 -8.852 16.569 1.00 73.31 H new ATOM 0 HD2 PRO A 88 -10.572 -10.895 15.032 1.00 3.01 H new ATOM 0 HD3 PRO A 88 -10.067 -9.374 14.323 1.00 3.01 H new ATOM 1458 N GLY A 89 -5.664 -12.424 15.274 1.00 64.31 N ATOM 1459 CA GLY A 89 -5.097 -13.623 15.862 1.00 20.23 C ATOM 1460 C GLY A 89 -5.218 -14.829 14.952 1.00 73.30 C ATOM 1461 O GLY A 89 -4.724 -15.910 15.273 1.00 33.40 O ATOM 0 H GLY A 89 -5.103 -12.003 14.534 1.00 64.31 H new ATOM 0 HA2 GLY A 89 -4.046 -13.449 16.091 1.00 20.23 H new ATOM 0 HA3 GLY A 89 -5.599 -13.833 16.807 1.00 20.23 H new ATOM 1465 N ALA A 90 -5.881 -14.645 13.815 1.00 21.32 N ATOM 1466 CA ALA A 90 -6.066 -15.727 12.855 1.00 4.02 C ATOM 1467 C ALA A 90 -5.016 -15.667 11.751 1.00 3.30 C ATOM 1468 O ALA A 90 -4.691 -14.591 11.250 1.00 44.21 O ATOM 1469 CB ALA A 90 -7.465 -15.670 12.260 1.00 61.34 C ATOM 0 H ALA A 90 -6.299 -13.757 13.536 1.00 21.32 H new ATOM 0 HA ALA A 90 -5.946 -16.673 13.383 1.00 4.02 H new ATOM 0 HB1 ALA A 90 -7.590 -16.483 11.545 1.00 61.34 H new ATOM 0 HB2 ALA A 90 -8.203 -15.770 13.056 1.00 61.34 H new ATOM 0 HB3 ALA A 90 -7.606 -14.716 11.752 1.00 61.34 H new ATOM 1475 N GLN A 91 -4.489 -16.829 11.378 1.00 34.21 N ATOM 1476 CA GLN A 91 -3.474 -16.907 10.334 1.00 54.03 C ATOM 1477 C GLN A 91 -3.856 -17.942 9.280 1.00 35.23 C ATOM 1478 O GLN A 91 -3.185 -18.961 9.126 1.00 45.41 O ATOM 1479 CB GLN A 91 -2.114 -17.257 10.939 1.00 12.35 C ATOM 1480 CG GLN A 91 -0.938 -16.695 10.159 1.00 70.53 C ATOM 1481 CD GLN A 91 0.399 -17.078 10.761 1.00 65.10 C ATOM 1482 OE1 GLN A 91 0.889 -18.190 10.557 1.00 3.33 O ATOM 1483 NE2 GLN A 91 0.998 -16.158 11.508 1.00 45.24 N ATOM 0 H GLN A 91 -4.748 -17.729 11.783 1.00 34.21 H new ATOM 0 HA GLN A 91 -3.409 -15.931 9.853 1.00 54.03 H new ATOM 0 HB2 GLN A 91 -2.073 -16.882 11.962 1.00 12.35 H new ATOM 0 HB3 GLN A 91 -2.018 -18.341 10.993 1.00 12.35 H new ATOM 0 HG2 GLN A 91 -0.985 -17.053 9.131 1.00 70.53 H new ATOM 0 HG3 GLN A 91 -1.018 -15.609 10.122 1.00 70.53 H new ATOM 0 HE21 GLN A 91 0.556 -15.250 11.651 1.00 45.24 H new ATOM 0 HE22 GLN A 91 1.900 -16.359 11.939 1.00 45.24 H new ATOM 1492 N ASN A 92 -4.940 -17.673 8.558 1.00 44.21 N ATOM 1493 CA ASN A 92 -5.411 -18.582 7.519 1.00 0.44 C ATOM 1494 C ASN A 92 -5.923 -17.806 6.310 1.00 72.33 C ATOM 1495 O ASN A 92 -7.009 -17.225 6.348 1.00 31.10 O ATOM 1496 CB ASN A 92 -6.517 -19.486 8.067 1.00 1.21 C ATOM 1497 CG ASN A 92 -7.420 -18.764 9.049 1.00 51.01 C ATOM 1498 OD1 ASN A 92 -7.071 -18.588 10.217 1.00 62.44 O ATOM 1499 ND2 ASN A 92 -8.588 -18.342 8.579 1.00 44.34 N ATOM 0 H ASN A 92 -5.508 -16.834 8.673 1.00 44.21 H new ATOM 0 HA ASN A 92 -4.571 -19.200 7.202 1.00 0.44 H new ATOM 0 HB2 ASN A 92 -7.115 -19.866 7.239 1.00 1.21 H new ATOM 0 HB3 ASN A 92 -6.067 -20.349 8.558 1.00 1.21 H new ATOM 0 HD21 ASN A 92 -9.237 -17.850 9.193 1.00 44.34 H new ATOM 0 HD22 ASN A 92 -8.836 -18.510 7.604 1.00 44.34 H new ATOM 1506 N ILE A 93 -5.137 -17.802 5.239 1.00 25.31 N ATOM 1507 CA ILE A 93 -5.513 -17.100 4.019 1.00 61.32 C ATOM 1508 C ILE A 93 -6.712 -17.763 3.350 1.00 13.34 C ATOM 1509 O ILE A 93 -7.212 -17.284 2.332 1.00 41.43 O ATOM 1510 CB ILE A 93 -4.344 -17.049 3.016 1.00 21.11 C ATOM 1511 CG1 ILE A 93 -3.561 -18.363 3.045 1.00 61.22 C ATOM 1512 CG2 ILE A 93 -3.430 -15.874 3.329 1.00 11.30 C ATOM 1513 CD1 ILE A 93 -2.921 -18.714 1.720 1.00 31.13 C ATOM 0 H ILE A 93 -4.236 -18.277 5.192 1.00 25.31 H new ATOM 0 HA ILE A 93 -5.778 -16.083 4.309 1.00 61.32 H new ATOM 0 HB ILE A 93 -4.749 -16.912 2.014 1.00 21.11 H new ATOM 0 HG12 ILE A 93 -2.785 -18.298 3.808 1.00 61.22 H new ATOM 0 HG13 ILE A 93 -4.232 -19.170 3.340 1.00 61.22 H new ATOM 0 HG21 ILE A 93 -2.609 -15.851 2.612 1.00 11.30 H new ATOM 0 HG22 ILE A 93 -3.996 -14.945 3.263 1.00 11.30 H new ATOM 0 HG23 ILE A 93 -3.029 -15.983 4.337 1.00 11.30 H new ATOM 0 HD11 ILE A 93 -2.383 -19.657 1.814 1.00 31.13 H new ATOM 0 HD12 ILE A 93 -3.694 -18.812 0.957 1.00 31.13 H new ATOM 0 HD13 ILE A 93 -2.225 -17.926 1.432 1.00 31.13 H new ATOM 1525 N SER A 94 -7.171 -18.867 3.930 1.00 22.54 N ATOM 1526 CA SER A 94 -8.312 -19.598 3.389 1.00 1.33 C ATOM 1527 C SER A 94 -9.622 -19.054 3.953 1.00 44.33 C ATOM 1528 O SER A 94 -10.657 -19.089 3.289 1.00 22.03 O ATOM 1529 CB SER A 94 -8.187 -21.089 3.709 1.00 45.41 C ATOM 1530 OG SER A 94 -8.340 -21.328 5.097 1.00 1.33 O ATOM 0 H SER A 94 -6.771 -19.275 4.775 1.00 22.54 H new ATOM 0 HA SER A 94 -8.318 -19.465 2.307 1.00 1.33 H new ATOM 0 HB2 SER A 94 -8.942 -21.647 3.155 1.00 45.41 H new ATOM 0 HB3 SER A 94 -7.215 -21.455 3.379 1.00 45.41 H new ATOM 0 HG SER A 94 -8.258 -22.288 5.275 1.00 1.33 H new ATOM 1536 N ASN A 95 -9.566 -18.551 5.181 1.00 10.42 N ATOM 1537 CA ASN A 95 -10.747 -18.000 5.835 1.00 55.30 C ATOM 1538 C ASN A 95 -10.451 -16.623 6.423 1.00 22.05 C ATOM 1539 O ASN A 95 -11.048 -16.221 7.423 1.00 73.34 O ATOM 1540 CB ASN A 95 -11.233 -18.944 6.937 1.00 72.24 C ATOM 1541 CG ASN A 95 -12.709 -18.769 7.238 1.00 14.24 C ATOM 1542 OD1 ASN A 95 -13.092 -18.473 8.371 1.00 54.34 O ATOM 1543 ND2 ASN A 95 -13.546 -18.953 6.223 1.00 13.45 N ATOM 0 H ASN A 95 -8.716 -18.513 5.743 1.00 10.42 H new ATOM 0 HA ASN A 95 -11.531 -17.894 5.085 1.00 55.30 H new ATOM 0 HB2 ASN A 95 -11.046 -19.975 6.637 1.00 72.24 H new ATOM 0 HB3 ASN A 95 -10.656 -18.766 7.845 1.00 72.24 H new ATOM 0 HD21 ASN A 95 -14.551 -18.850 6.365 1.00 13.45 H new ATOM 0 HD22 ASN A 95 -13.184 -19.197 5.301 1.00 13.45 H new ATOM 1550 N CYS A 96 -9.526 -15.905 5.797 1.00 43.13 N ATOM 1551 CA CYS A 96 -9.149 -14.573 6.256 1.00 30.25 C ATOM 1552 C CYS A 96 -10.070 -13.512 5.662 1.00 71.04 C ATOM 1553 O CYS A 96 -9.955 -13.164 4.486 1.00 44.24 O ATOM 1554 CB CYS A 96 -7.697 -14.273 5.880 1.00 11.14 C ATOM 1555 SG CYS A 96 -6.499 -14.612 7.211 1.00 53.42 S ATOM 0 H CYS A 96 -9.022 -16.223 4.969 1.00 43.13 H new ATOM 0 HA CYS A 96 -9.248 -14.548 7.341 1.00 30.25 H new ATOM 0 HB2 CYS A 96 -7.429 -14.866 5.005 1.00 11.14 H new ATOM 0 HB3 CYS A 96 -7.617 -13.225 5.592 1.00 11.14 H new ATOM 1560 N ARG A 97 -10.984 -13.003 6.481 1.00 43.43 N ATOM 1561 CA ARG A 97 -11.925 -11.982 6.036 1.00 11.02 C ATOM 1562 C ARG A 97 -11.377 -10.583 6.303 1.00 44.50 C ATOM 1563 O ARG A 97 -10.557 -10.388 7.201 1.00 15.31 O ATOM 1564 CB ARG A 97 -13.271 -12.156 6.741 1.00 21.35 C ATOM 1565 CG ARG A 97 -14.193 -13.152 6.056 1.00 14.12 C ATOM 1566 CD ARG A 97 -15.630 -12.993 6.526 1.00 34.41 C ATOM 1567 NE ARG A 97 -16.492 -14.060 6.022 1.00 44.32 N ATOM 1568 CZ ARG A 97 -17.642 -14.405 6.589 1.00 51.35 C ATOM 1569 NH1 ARG A 97 -18.068 -13.770 7.672 1.00 70.20 N ATOM 1570 NH2 ARG A 97 -18.370 -15.386 6.071 1.00 4.01 N ATOM 0 H ARG A 97 -11.093 -13.281 7.456 1.00 43.43 H new ATOM 0 HA ARG A 97 -12.067 -12.099 4.962 1.00 11.02 H new ATOM 0 HB2 ARG A 97 -13.095 -12.482 7.766 1.00 21.35 H new ATOM 0 HB3 ARG A 97 -13.771 -11.189 6.795 1.00 21.35 H new ATOM 0 HG2 ARG A 97 -14.144 -13.012 4.976 1.00 14.12 H new ATOM 0 HG3 ARG A 97 -13.852 -14.167 6.261 1.00 14.12 H new ATOM 0 HD2 ARG A 97 -15.657 -12.990 7.616 1.00 34.41 H new ATOM 0 HD3 ARG A 97 -16.015 -12.029 6.195 1.00 34.41 H new ATOM 0 HE ARG A 97 -16.194 -14.568 5.189 1.00 44.32 H new ATOM 0 HH11 ARG A 97 -17.512 -13.014 8.072 1.00 70.20 H new ATOM 0 HH12 ARG A 97 -18.952 -14.037 8.105 1.00 70.20 H new ATOM 0 HH21 ARG A 97 -18.046 -15.876 5.237 1.00 4.01 H new ATOM 0 HH22 ARG A 97 -19.253 -15.651 6.507 1.00 4.01 H new ATOM 1584 N TYR A 98 -11.833 -9.614 5.517 1.00 71.32 N ATOM 1585 CA TYR A 98 -11.386 -8.234 5.666 1.00 20.55 C ATOM 1586 C TYR A 98 -12.575 -7.281 5.731 1.00 3.21 C ATOM 1587 O TYR A 98 -13.642 -7.564 5.187 1.00 12.32 O ATOM 1588 CB TYR A 98 -10.469 -7.845 4.507 1.00 44.34 C ATOM 1589 CG TYR A 98 -9.035 -8.291 4.692 1.00 12.20 C ATOM 1590 CD1 TYR A 98 -8.378 -8.094 5.900 1.00 5.44 C ATOM 1591 CD2 TYR A 98 -8.338 -8.907 3.660 1.00 12.44 C ATOM 1592 CE1 TYR A 98 -7.068 -8.498 6.075 1.00 30.13 C ATOM 1593 CE2 TYR A 98 -7.030 -9.315 3.827 1.00 65.30 C ATOM 1594 CZ TYR A 98 -6.398 -9.109 5.036 1.00 73.43 C ATOM 1595 OH TYR A 98 -5.095 -9.513 5.204 1.00 5.12 O ATOM 0 H TYR A 98 -12.512 -9.759 4.770 1.00 71.32 H new ATOM 0 HA TYR A 98 -10.831 -8.157 6.601 1.00 20.55 H new ATOM 0 HB2 TYR A 98 -10.859 -8.277 3.586 1.00 44.34 H new ATOM 0 HB3 TYR A 98 -10.491 -6.762 4.385 1.00 44.34 H new ATOM 0 HD1 TYR A 98 -8.900 -7.617 6.716 1.00 5.44 H new ATOM 0 HD2 TYR A 98 -8.828 -9.069 2.711 1.00 12.44 H new ATOM 0 HE1 TYR A 98 -6.572 -8.336 7.020 1.00 30.13 H new ATOM 0 HE2 TYR A 98 -6.503 -9.794 3.015 1.00 65.30 H new ATOM 0 HH TYR A 98 -4.884 -9.547 6.160 1.00 5.12 H new ATOM 1605 N ALA A 99 -12.381 -6.148 6.399 1.00 23.34 N ATOM 1606 CA ALA A 99 -13.436 -5.151 6.534 1.00 1.31 C ATOM 1607 C ALA A 99 -13.288 -4.052 5.487 1.00 64.22 C ATOM 1608 O ALA A 99 -12.448 -3.162 5.621 1.00 23.40 O ATOM 1609 CB ALA A 99 -13.422 -4.554 7.933 1.00 72.41 C ATOM 0 H ALA A 99 -11.503 -5.898 6.855 1.00 23.34 H new ATOM 0 HA ALA A 99 -14.393 -5.646 6.372 1.00 1.31 H new ATOM 0 HB1 ALA A 99 -14.215 -3.811 8.020 1.00 72.41 H new ATOM 0 HB2 ALA A 99 -13.583 -5.344 8.667 1.00 72.41 H new ATOM 0 HB3 ALA A 99 -12.458 -4.079 8.116 1.00 72.41 H new ATOM 1615 N ASP A 100 -14.108 -4.122 4.444 1.00 54.42 N ATOM 1616 CA ASP A 100 -14.069 -3.132 3.374 1.00 72.23 C ATOM 1617 C ASP A 100 -14.632 -1.795 3.848 1.00 5.34 C ATOM 1618 O ASP A 100 -15.682 -1.744 4.488 1.00 31.22 O ATOM 1619 CB ASP A 100 -14.859 -3.630 2.161 1.00 2.31 C ATOM 1620 CG ASP A 100 -14.688 -2.732 0.952 1.00 61.11 C ATOM 1621 OD1 ASP A 100 -14.882 -1.506 1.091 1.00 21.32 O ATOM 1622 OD2 ASP A 100 -14.362 -3.255 -0.135 1.00 10.35 O ATOM 0 H ASP A 100 -14.807 -4.854 4.317 1.00 54.42 H new ATOM 0 HA ASP A 100 -13.028 -2.986 3.086 1.00 72.23 H new ATOM 0 HB2 ASP A 100 -14.535 -4.640 1.909 1.00 2.31 H new ATOM 0 HB3 ASP A 100 -15.916 -3.690 2.419 1.00 2.31 H new ATOM 1627 N ARG A 101 -13.925 -0.716 3.531 1.00 61.14 N ATOM 1628 CA ARG A 101 -14.352 0.621 3.927 1.00 63.55 C ATOM 1629 C ARG A 101 -13.884 1.663 2.915 1.00 52.30 C ATOM 1630 O ARG A 101 -12.709 2.028 2.860 1.00 25.51 O ATOM 1631 CB ARG A 101 -13.809 0.963 5.315 1.00 22.41 C ATOM 1632 CG ARG A 101 -14.749 0.580 6.447 1.00 53.43 C ATOM 1633 CD ARG A 101 -15.795 1.658 6.691 1.00 70.13 C ATOM 1634 NE ARG A 101 -16.483 1.473 7.965 1.00 71.23 N ATOM 1635 CZ ARG A 101 -17.525 0.665 8.127 1.00 11.42 C ATOM 1636 NH1 ARG A 101 -17.996 -0.030 7.100 1.00 44.22 N ATOM 1637 NH2 ARG A 101 -18.099 0.551 9.318 1.00 2.41 N ATOM 0 H ARG A 101 -13.054 -0.741 3.001 1.00 61.14 H new ATOM 0 HA ARG A 101 -15.442 0.633 3.958 1.00 63.55 H new ATOM 0 HB2 ARG A 101 -12.855 0.455 5.458 1.00 22.41 H new ATOM 0 HB3 ARG A 101 -13.611 2.034 5.365 1.00 22.41 H new ATOM 0 HG2 ARG A 101 -15.244 -0.361 6.208 1.00 53.43 H new ATOM 0 HG3 ARG A 101 -14.175 0.416 7.359 1.00 53.43 H new ATOM 0 HD2 ARG A 101 -15.317 2.637 6.676 1.00 70.13 H new ATOM 0 HD3 ARG A 101 -16.524 1.647 5.880 1.00 70.13 H new ATOM 0 HE ARG A 101 -16.145 1.993 8.775 1.00 71.23 H new ATOM 0 HH11 ARG A 101 -17.558 0.055 6.183 1.00 44.22 H new ATOM 0 HH12 ARG A 101 -18.796 -0.650 7.228 1.00 44.22 H new ATOM 0 HH21 ARG A 101 -17.740 1.084 10.110 1.00 2.41 H new ATOM 0 HH22 ARG A 101 -18.899 -0.070 9.441 1.00 2.41 H new ATOM 1651 N PRO A 102 -14.823 2.155 2.094 1.00 71.32 N ATOM 1652 CA PRO A 102 -14.531 3.162 1.069 1.00 43.13 C ATOM 1653 C PRO A 102 -14.205 4.524 1.672 1.00 1.21 C ATOM 1654 O PRO A 102 -14.752 4.903 2.706 1.00 41.40 O ATOM 1655 CB PRO A 102 -15.829 3.232 0.260 1.00 23.14 C ATOM 1656 CG PRO A 102 -16.889 2.787 1.207 1.00 72.24 C ATOM 1657 CD PRO A 102 -16.244 1.766 2.102 1.00 0.53 C ATOM 0 HA PRO A 102 -13.656 2.897 0.475 1.00 43.13 H new ATOM 0 HB2 PRO A 102 -16.018 4.244 -0.099 1.00 23.14 H new ATOM 0 HB3 PRO A 102 -15.785 2.586 -0.617 1.00 23.14 H new ATOM 0 HG2 PRO A 102 -17.272 3.627 1.786 1.00 72.24 H new ATOM 0 HG3 PRO A 102 -17.735 2.357 0.671 1.00 72.24 H new ATOM 0 HD2 PRO A 102 -16.662 1.792 3.108 1.00 0.53 H new ATOM 0 HD3 PRO A 102 -16.386 0.753 1.724 1.00 0.53 H new ATOM 1665 N GLY A 103 -13.310 5.258 1.016 1.00 3.14 N ATOM 1666 CA GLY A 103 -12.927 6.570 1.504 1.00 62.25 C ATOM 1667 C GLY A 103 -12.066 7.327 0.511 1.00 53.21 C ATOM 1668 O GLY A 103 -11.740 6.813 -0.558 1.00 20.13 O ATOM 0 H GLY A 103 -12.844 4.967 0.156 1.00 3.14 H new ATOM 0 HA2 GLY A 103 -13.824 7.151 1.720 1.00 62.25 H new ATOM 0 HA3 GLY A 103 -12.384 6.461 2.443 1.00 62.25 H new ATOM 1672 N ARG A 104 -11.700 8.555 0.865 1.00 23.32 N ATOM 1673 CA ARG A 104 -10.874 9.386 -0.004 1.00 11.12 C ATOM 1674 C ARG A 104 -10.017 10.346 0.817 1.00 32.21 C ATOM 1675 O ARG A 104 -10.521 11.317 1.380 1.00 50.23 O ATOM 1676 CB ARG A 104 -11.754 10.174 -0.976 1.00 43.42 C ATOM 1677 CG ARG A 104 -10.965 11.014 -1.966 1.00 41.44 C ATOM 1678 CD ARG A 104 -11.797 12.166 -2.509 1.00 32.31 C ATOM 1679 NE ARG A 104 -12.971 11.694 -3.241 1.00 45.50 N ATOM 1680 CZ ARG A 104 -13.951 12.492 -3.650 1.00 0.25 C ATOM 1681 NH1 ARG A 104 -13.900 13.793 -3.400 1.00 65.14 N ATOM 1682 NH2 ARG A 104 -14.985 11.988 -4.310 1.00 34.43 N ATOM 0 H ARG A 104 -11.962 8.996 1.747 1.00 23.32 H new ATOM 0 HA ARG A 104 -10.213 8.731 -0.572 1.00 11.12 H new ATOM 0 HB2 ARG A 104 -12.387 9.478 -1.526 1.00 43.42 H new ATOM 0 HB3 ARG A 104 -12.417 10.826 -0.407 1.00 43.42 H new ATOM 0 HG2 ARG A 104 -10.072 11.407 -1.480 1.00 41.44 H new ATOM 0 HG3 ARG A 104 -10.629 10.386 -2.791 1.00 41.44 H new ATOM 0 HD2 ARG A 104 -12.116 12.804 -1.684 1.00 32.31 H new ATOM 0 HD3 ARG A 104 -11.182 12.780 -3.167 1.00 32.31 H new ATOM 0 HE ARG A 104 -13.041 10.698 -3.449 1.00 45.50 H new ATOM 0 HH11 ARG A 104 -13.107 14.184 -2.892 1.00 65.14 H new ATOM 0 HH12 ARG A 104 -14.654 14.403 -3.716 1.00 65.14 H new ATOM 0 HH21 ARG A 104 -15.028 10.987 -4.504 1.00 34.43 H new ATOM 0 HH22 ARG A 104 -15.737 12.601 -4.624 1.00 34.43 H new ATOM 1696 N ARG A 105 -8.720 10.065 0.880 1.00 62.22 N ATOM 1697 CA ARG A 105 -7.792 10.901 1.631 1.00 14.25 C ATOM 1698 C ARG A 105 -6.363 10.713 1.134 1.00 64.24 C ATOM 1699 O ARG A 105 -6.123 9.999 0.159 1.00 1.21 O ATOM 1700 CB ARG A 105 -7.872 10.573 3.124 1.00 42.13 C ATOM 1701 CG ARG A 105 -9.269 10.711 3.705 1.00 72.20 C ATOM 1702 CD ARG A 105 -9.734 12.159 3.699 1.00 12.22 C ATOM 1703 NE ARG A 105 -9.376 12.853 4.934 1.00 52.21 N ATOM 1704 CZ ARG A 105 -10.062 12.740 6.066 1.00 42.30 C ATOM 1705 NH1 ARG A 105 -11.136 11.965 6.120 1.00 63.00 N ATOM 1706 NH2 ARG A 105 -9.673 13.404 7.147 1.00 65.32 N ATOM 0 H ARG A 105 -8.288 9.264 0.420 1.00 62.22 H new ATOM 0 HA ARG A 105 -8.076 11.942 1.478 1.00 14.25 H new ATOM 0 HB2 ARG A 105 -7.521 9.553 3.282 1.00 42.13 H new ATOM 0 HB3 ARG A 105 -7.195 11.231 3.668 1.00 42.13 H new ATOM 0 HG2 ARG A 105 -9.966 10.102 3.129 1.00 72.20 H new ATOM 0 HG3 ARG A 105 -9.279 10.329 4.726 1.00 72.20 H new ATOM 0 HD2 ARG A 105 -9.291 12.679 2.849 1.00 12.22 H new ATOM 0 HD3 ARG A 105 -10.815 12.192 3.565 1.00 12.22 H new ATOM 0 HE ARG A 105 -8.554 13.457 4.927 1.00 52.21 H new ATOM 0 HH11 ARG A 105 -11.438 11.453 5.291 1.00 63.00 H new ATOM 0 HH12 ARG A 105 -11.661 11.880 6.991 1.00 63.00 H new ATOM 0 HH21 ARG A 105 -8.847 14.001 7.109 1.00 65.32 H new ATOM 0 HH22 ARG A 105 -10.200 13.317 8.016 1.00 65.32 H new ATOM 1720 N PHE A 106 -5.416 11.357 1.808 1.00 33.25 N ATOM 1721 CA PHE A 106 -4.010 11.261 1.434 1.00 72.31 C ATOM 1722 C PHE A 106 -3.439 9.898 1.812 1.00 43.14 C ATOM 1723 O PHE A 106 -4.163 9.013 2.268 1.00 0.13 O ATOM 1724 CB PHE A 106 -3.204 12.371 2.111 1.00 24.15 C ATOM 1725 CG PHE A 106 -3.860 13.720 2.036 1.00 22.21 C ATOM 1726 CD1 PHE A 106 -4.078 14.332 0.812 1.00 31.31 C ATOM 1727 CD2 PHE A 106 -4.257 14.377 3.190 1.00 42.31 C ATOM 1728 CE1 PHE A 106 -4.683 15.573 0.740 1.00 3.20 C ATOM 1729 CE2 PHE A 106 -4.861 15.618 3.124 1.00 71.32 C ATOM 1730 CZ PHE A 106 -5.073 16.217 1.898 1.00 72.44 C ATOM 0 H PHE A 106 -5.597 11.952 2.617 1.00 33.25 H new ATOM 0 HA PHE A 106 -3.938 11.378 0.353 1.00 72.31 H new ATOM 0 HB2 PHE A 106 -3.049 12.109 3.158 1.00 24.15 H new ATOM 0 HB3 PHE A 106 -2.219 12.429 1.647 1.00 24.15 H new ATOM 0 HD1 PHE A 106 -3.772 13.834 -0.096 1.00 31.31 H new ATOM 0 HD2 PHE A 106 -4.092 13.914 4.152 1.00 42.31 H new ATOM 0 HE1 PHE A 106 -4.850 16.038 -0.220 1.00 3.20 H new ATOM 0 HE2 PHE A 106 -5.167 16.119 4.030 1.00 71.32 H new ATOM 0 HZ PHE A 106 -5.543 17.188 1.845 1.00 72.44 H new ATOM 1740 N TYR A 107 -2.134 9.736 1.618 1.00 22.14 N ATOM 1741 CA TYR A 107 -1.464 8.480 1.935 1.00 51.22 C ATOM 1742 C TYR A 107 0.033 8.697 2.132 1.00 64.04 C ATOM 1743 O TYR A 107 0.690 9.348 1.320 1.00 44.22 O ATOM 1744 CB TYR A 107 -1.702 7.456 0.824 1.00 51.44 C ATOM 1745 CG TYR A 107 -1.402 7.986 -0.561 1.00 62.11 C ATOM 1746 CD1 TYR A 107 -0.092 8.152 -0.994 1.00 2.41 C ATOM 1747 CD2 TYR A 107 -2.428 8.320 -1.435 1.00 31.33 C ATOM 1748 CE1 TYR A 107 0.186 8.635 -2.258 1.00 41.31 C ATOM 1749 CE2 TYR A 107 -2.159 8.803 -2.701 1.00 64.13 C ATOM 1750 CZ TYR A 107 -0.851 8.959 -3.108 1.00 4.12 C ATOM 1751 OH TYR A 107 -0.578 9.441 -4.368 1.00 1.02 O ATOM 0 H TYR A 107 -1.520 10.459 1.243 1.00 22.14 H new ATOM 0 HA TYR A 107 -1.883 8.098 2.866 1.00 51.22 H new ATOM 0 HB2 TYR A 107 -1.082 6.579 1.011 1.00 51.44 H new ATOM 0 HB3 TYR A 107 -2.740 7.126 0.861 1.00 51.44 H new ATOM 0 HD1 TYR A 107 0.722 7.899 -0.331 1.00 2.41 H new ATOM 0 HD2 TYR A 107 -3.454 8.200 -1.120 1.00 31.33 H new ATOM 0 HE1 TYR A 107 1.210 8.758 -2.579 1.00 41.31 H new ATOM 0 HE2 TYR A 107 -2.969 9.057 -3.368 1.00 64.13 H new ATOM 0 HH TYR A 107 -1.419 9.619 -4.839 1.00 1.02 H new ATOM 1761 N VAL A 108 0.567 8.144 3.217 1.00 74.44 N ATOM 1762 CA VAL A 108 1.986 8.273 3.521 1.00 25.11 C ATOM 1763 C VAL A 108 2.755 7.025 3.099 1.00 55.44 C ATOM 1764 O VAL A 108 2.687 5.989 3.758 1.00 25.24 O ATOM 1765 CB VAL A 108 2.218 8.521 5.023 1.00 23.13 C ATOM 1766 CG1 VAL A 108 3.707 8.531 5.340 1.00 33.31 C ATOM 1767 CG2 VAL A 108 1.565 9.825 5.454 1.00 54.11 C ATOM 0 H VAL A 108 0.037 7.602 3.900 1.00 74.44 H new ATOM 0 HA VAL A 108 2.353 9.131 2.957 1.00 25.11 H new ATOM 0 HB VAL A 108 1.757 7.707 5.583 1.00 23.13 H new ATOM 0 HG11 VAL A 108 3.851 8.708 6.406 1.00 33.31 H new ATOM 0 HG12 VAL A 108 4.143 7.569 5.069 1.00 33.31 H new ATOM 0 HG13 VAL A 108 4.195 9.323 4.772 1.00 33.31 H new ATOM 0 HG21 VAL A 108 1.739 9.985 6.518 1.00 54.11 H new ATOM 0 HG22 VAL A 108 1.995 10.652 4.888 1.00 54.11 H new ATOM 0 HG23 VAL A 108 0.493 9.775 5.265 1.00 54.11 H new ATOM 1777 N VAL A 109 3.487 7.134 1.994 1.00 3.32 N ATOM 1778 CA VAL A 109 4.271 6.014 1.484 1.00 52.32 C ATOM 1779 C VAL A 109 5.765 6.314 1.552 1.00 34.51 C ATOM 1780 O VAL A 109 6.217 7.368 1.108 1.00 14.31 O ATOM 1781 CB VAL A 109 3.890 5.681 0.029 1.00 44.13 C ATOM 1782 CG1 VAL A 109 2.435 6.032 -0.237 1.00 12.23 C ATOM 1783 CG2 VAL A 109 4.809 6.408 -0.941 1.00 73.33 C ATOM 0 H VAL A 109 3.554 7.985 1.436 1.00 3.32 H new ATOM 0 HA VAL A 109 4.047 5.155 2.116 1.00 52.32 H new ATOM 0 HB VAL A 109 4.012 4.609 -0.124 1.00 44.13 H new ATOM 0 HG11 VAL A 109 2.185 5.789 -1.270 1.00 12.23 H new ATOM 0 HG12 VAL A 109 1.794 5.461 0.435 1.00 12.23 H new ATOM 0 HG13 VAL A 109 2.281 7.098 -0.067 1.00 12.23 H new ATOM 0 HG21 VAL A 109 4.526 6.162 -1.964 1.00 73.33 H new ATOM 0 HG22 VAL A 109 4.721 7.484 -0.789 1.00 73.33 H new ATOM 0 HG23 VAL A 109 5.840 6.100 -0.766 1.00 73.33 H new ATOM 1793 N ALA A 110 6.525 5.378 2.109 1.00 60.41 N ATOM 1794 CA ALA A 110 7.968 5.539 2.233 1.00 32.11 C ATOM 1795 C ALA A 110 8.679 5.118 0.952 1.00 73.14 C ATOM 1796 O ALA A 110 8.832 3.927 0.677 1.00 52.33 O ATOM 1797 CB ALA A 110 8.489 4.737 3.416 1.00 1.42 C ATOM 0 H ALA A 110 6.165 4.499 2.482 1.00 60.41 H new ATOM 0 HA ALA A 110 8.178 6.595 2.404 1.00 32.11 H new ATOM 0 HB1 ALA A 110 9.568 4.867 3.496 1.00 1.42 H new ATOM 0 HB2 ALA A 110 8.012 5.087 4.331 1.00 1.42 H new ATOM 0 HB3 ALA A 110 8.260 3.681 3.269 1.00 1.42 H new ATOM 1803 N CYS A 111 9.112 6.102 0.169 1.00 22.34 N ATOM 1804 CA CYS A 111 9.807 5.833 -1.084 1.00 33.51 C ATOM 1805 C CYS A 111 11.312 5.727 -0.860 1.00 21.32 C ATOM 1806 O CYS A 111 11.920 6.597 -0.238 1.00 1.31 O ATOM 1807 CB CYS A 111 9.508 6.935 -2.103 1.00 5.24 C ATOM 1808 SG CYS A 111 8.057 6.604 -3.153 1.00 34.12 S ATOM 0 H CYS A 111 8.993 7.093 0.381 1.00 22.34 H new ATOM 0 HA CYS A 111 9.448 4.880 -1.473 1.00 33.51 H new ATOM 0 HB2 CYS A 111 9.352 7.874 -1.571 1.00 5.24 H new ATOM 0 HB3 CYS A 111 10.381 7.072 -2.741 1.00 5.24 H new ATOM 1813 N ASP A 112 11.905 4.653 -1.371 1.00 45.43 N ATOM 1814 CA ASP A 112 13.340 4.434 -1.229 1.00 24.42 C ATOM 1815 C ASP A 112 13.941 3.905 -2.527 1.00 71.31 C ATOM 1816 O ASP A 112 13.217 3.517 -3.444 1.00 43.01 O ATOM 1817 CB ASP A 112 13.616 3.452 -0.088 1.00 21.42 C ATOM 1818 CG ASP A 112 14.942 3.717 0.596 1.00 65.23 C ATOM 1819 OD1 ASP A 112 15.309 4.901 0.741 1.00 53.12 O ATOM 1820 OD2 ASP A 112 15.616 2.739 0.985 1.00 4.11 O ATOM 0 H ASP A 112 11.415 3.922 -1.886 1.00 45.43 H new ATOM 0 HA ASP A 112 13.807 5.391 -0.997 1.00 24.42 H new ATOM 0 HB2 ASP A 112 12.813 3.517 0.646 1.00 21.42 H new ATOM 0 HB3 ASP A 112 13.609 2.434 -0.479 1.00 21.42 H new ATOM 1825 N ASN A 113 15.268 3.894 -2.599 1.00 3.00 N ATOM 1826 CA ASN A 113 15.966 3.414 -3.787 1.00 10.32 C ATOM 1827 C ASN A 113 15.513 2.004 -4.151 1.00 51.24 C ATOM 1828 O ASN A 113 15.524 1.102 -3.314 1.00 30.43 O ATOM 1829 CB ASN A 113 17.478 3.433 -3.557 1.00 1.22 C ATOM 1830 CG ASN A 113 18.253 2.937 -4.763 1.00 33.00 C ATOM 1831 OD1 ASN A 113 18.991 1.956 -4.680 1.00 71.12 O ATOM 1832 ND2 ASN A 113 18.087 3.616 -5.893 1.00 34.22 N ATOM 0 H ASN A 113 15.882 4.212 -1.849 1.00 3.00 H new ATOM 0 HA ASN A 113 15.723 4.079 -4.615 1.00 10.32 H new ATOM 0 HB2 ASN A 113 17.794 4.449 -3.318 1.00 1.22 H new ATOM 0 HB3 ASN A 113 17.719 2.813 -2.694 1.00 1.22 H new ATOM 0 HD21 ASN A 113 18.582 3.329 -6.738 1.00 34.22 H new ATOM 0 HD22 ASN A 113 17.465 4.424 -5.916 1.00 34.22 H new ATOM 1839 N ARG A 114 15.117 1.821 -5.407 1.00 1.33 N ATOM 1840 CA ARG A 114 14.660 0.521 -5.882 1.00 41.04 C ATOM 1841 C ARG A 114 15.522 0.033 -7.043 1.00 1.10 C ATOM 1842 O ARG A 114 16.420 0.740 -7.502 1.00 53.25 O ATOM 1843 CB ARG A 114 13.196 0.600 -6.319 1.00 52.11 C ATOM 1844 CG ARG A 114 12.920 1.702 -7.328 1.00 53.04 C ATOM 1845 CD ARG A 114 12.803 1.149 -8.739 1.00 61.34 C ATOM 1846 NE ARG A 114 11.426 0.806 -9.081 1.00 14.32 N ATOM 1847 CZ ARG A 114 10.934 -0.426 -9.002 1.00 14.14 C ATOM 1848 NH1 ARG A 114 11.702 -1.425 -8.594 1.00 4.25 N ATOM 1849 NH2 ARG A 114 9.670 -0.658 -9.330 1.00 34.43 N ATOM 0 H ARG A 114 15.104 2.557 -6.113 1.00 1.33 H new ATOM 0 HA ARG A 114 14.750 -0.190 -5.061 1.00 41.04 H new ATOM 0 HB2 ARG A 114 12.902 -0.357 -6.750 1.00 52.11 H new ATOM 0 HB3 ARG A 114 12.571 0.759 -5.440 1.00 52.11 H new ATOM 0 HG2 ARG A 114 11.998 2.219 -7.061 1.00 53.04 H new ATOM 0 HG3 ARG A 114 13.721 2.440 -7.291 1.00 53.04 H new ATOM 0 HD2 ARG A 114 13.180 1.885 -9.449 1.00 61.34 H new ATOM 0 HD3 ARG A 114 13.431 0.263 -8.834 1.00 61.34 H new ATOM 0 HE ARG A 114 10.808 1.553 -9.398 1.00 14.32 H new ATOM 0 HH11 ARG A 114 12.674 -1.250 -8.339 1.00 4.25 H new ATOM 0 HH12 ARG A 114 11.321 -2.369 -8.534 1.00 4.25 H new ATOM 0 HH21 ARG A 114 9.075 0.109 -9.643 1.00 34.43 H new ATOM 0 HH22 ARG A 114 9.293 -1.604 -9.269 1.00 34.43 H new ATOM 1863 N ASP A 115 15.245 -1.179 -7.510 1.00 55.35 N ATOM 1864 CA ASP A 115 15.995 -1.761 -8.618 1.00 35.23 C ATOM 1865 C ASP A 115 15.711 -1.016 -9.918 1.00 14.00 C ATOM 1866 O ASP A 115 14.562 -0.860 -10.335 1.00 64.21 O ATOM 1867 CB ASP A 115 15.643 -3.241 -8.776 1.00 62.52 C ATOM 1868 CG ASP A 115 16.565 -4.144 -7.981 1.00 0.22 C ATOM 1869 OD1 ASP A 115 17.763 -4.218 -8.322 1.00 53.15 O ATOM 1870 OD2 ASP A 115 16.088 -4.777 -7.015 1.00 73.13 O ATOM 0 H ASP A 115 14.507 -1.778 -7.139 1.00 55.35 H new ATOM 0 HA ASP A 115 17.058 -1.669 -8.394 1.00 35.23 H new ATOM 0 HB2 ASP A 115 14.614 -3.403 -8.454 1.00 62.52 H new ATOM 0 HB3 ASP A 115 15.694 -3.513 -9.830 1.00 62.52 H new ATOM 1875 N PRO A 116 16.780 -0.542 -10.575 1.00 11.21 N ATOM 1876 CA PRO A 116 16.672 0.196 -11.837 1.00 32.24 C ATOM 1877 C PRO A 116 16.235 -0.695 -12.993 1.00 33.42 C ATOM 1878 O PRO A 116 16.152 -0.248 -14.138 1.00 31.03 O ATOM 1879 CB PRO A 116 18.093 0.714 -12.068 1.00 72.34 C ATOM 1880 CG PRO A 116 18.969 -0.241 -11.333 1.00 35.12 C ATOM 1881 CD PRO A 116 18.178 -0.690 -10.135 1.00 54.03 C ATOM 0 HA PRO A 116 15.920 0.984 -11.786 1.00 32.24 H new ATOM 0 HB2 PRO A 116 18.338 0.739 -13.130 1.00 72.34 H new ATOM 0 HB3 PRO A 116 18.210 1.730 -11.690 1.00 72.34 H new ATOM 0 HG2 PRO A 116 19.238 -1.089 -11.963 1.00 35.12 H new ATOM 0 HG3 PRO A 116 19.900 0.238 -11.029 1.00 35.12 H new ATOM 0 HD2 PRO A 116 18.407 -1.721 -9.865 1.00 54.03 H new ATOM 0 HD3 PRO A 116 18.391 -0.076 -9.260 1.00 54.03 H new ATOM 1889 N ARG A 117 15.955 -1.959 -12.689 1.00 0.34 N ATOM 1890 CA ARG A 117 15.526 -2.914 -13.703 1.00 50.41 C ATOM 1891 C ARG A 117 14.005 -3.025 -13.737 1.00 20.34 C ATOM 1892 O ARG A 117 13.427 -3.471 -14.729 1.00 22.24 O ATOM 1893 CB ARG A 117 16.144 -4.287 -13.435 1.00 23.21 C ATOM 1894 CG ARG A 117 15.831 -4.835 -12.052 1.00 64.32 C ATOM 1895 CD ARG A 117 15.796 -6.356 -12.050 1.00 13.33 C ATOM 1896 NE ARG A 117 15.881 -6.904 -10.699 1.00 54.45 N ATOM 1897 CZ ARG A 117 16.287 -8.139 -10.431 1.00 40.22 C ATOM 1898 NH1 ARG A 117 16.645 -8.951 -11.416 1.00 73.32 N ATOM 1899 NH2 ARG A 117 16.336 -8.565 -9.175 1.00 45.41 N ATOM 0 H ARG A 117 16.018 -2.345 -11.747 1.00 0.34 H new ATOM 0 HA ARG A 117 15.867 -2.553 -14.673 1.00 50.41 H new ATOM 0 HB2 ARG A 117 15.785 -4.991 -14.186 1.00 23.21 H new ATOM 0 HB3 ARG A 117 17.225 -4.219 -13.554 1.00 23.21 H new ATOM 0 HG2 ARG A 117 16.582 -4.486 -11.343 1.00 64.32 H new ATOM 0 HG3 ARG A 117 14.870 -4.447 -11.715 1.00 64.32 H new ATOM 0 HD2 ARG A 117 14.875 -6.698 -12.523 1.00 13.33 H new ATOM 0 HD3 ARG A 117 16.623 -6.738 -12.649 1.00 13.33 H new ATOM 0 HE ARG A 117 15.614 -6.305 -9.918 1.00 54.45 H new ATOM 0 HH11 ARG A 117 16.609 -8.627 -12.383 1.00 73.32 H new ATOM 0 HH12 ARG A 117 16.957 -9.900 -11.207 1.00 73.32 H new ATOM 0 HH21 ARG A 117 16.061 -7.943 -8.414 1.00 45.41 H new ATOM 0 HH22 ARG A 117 16.648 -9.514 -8.970 1.00 45.41 H new ATOM 1913 N ASP A 118 13.363 -2.618 -12.648 1.00 31.34 N ATOM 1914 CA ASP A 118 11.909 -2.672 -12.553 1.00 30.22 C ATOM 1915 C ASP A 118 11.286 -1.352 -12.997 1.00 72.42 C ATOM 1916 O ASP A 118 10.349 -1.335 -13.795 1.00 33.23 O ATOM 1917 CB ASP A 118 11.482 -2.994 -11.120 1.00 21.43 C ATOM 1918 CG ASP A 118 11.294 -4.482 -10.893 1.00 41.20 C ATOM 1919 OD1 ASP A 118 12.311 -5.203 -10.811 1.00 33.41 O ATOM 1920 OD2 ASP A 118 10.131 -4.924 -10.796 1.00 33.45 O ATOM 0 H ASP A 118 13.826 -2.247 -11.819 1.00 31.34 H new ATOM 0 HA ASP A 118 11.555 -3.462 -13.216 1.00 30.22 H new ATOM 0 HB2 ASP A 118 12.233 -2.615 -10.426 1.00 21.43 H new ATOM 0 HB3 ASP A 118 10.550 -2.475 -10.896 1.00 21.43 H new ATOM 1925 N SER A 119 11.812 -0.249 -12.475 1.00 63.21 N ATOM 1926 CA SER A 119 11.304 1.075 -12.814 1.00 5.11 C ATOM 1927 C SER A 119 12.448 2.019 -13.174 1.00 0.11 C ATOM 1928 O SER A 119 13.048 2.664 -12.315 1.00 43.31 O ATOM 1929 CB SER A 119 10.502 1.650 -11.646 1.00 52.02 C ATOM 1930 OG SER A 119 9.374 2.374 -12.110 1.00 4.42 O ATOM 0 H SER A 119 12.590 -0.246 -11.815 1.00 63.21 H new ATOM 0 HA SER A 119 10.650 0.976 -13.681 1.00 5.11 H new ATOM 0 HB2 SER A 119 10.175 0.842 -10.992 1.00 52.02 H new ATOM 0 HB3 SER A 119 11.139 2.304 -11.051 1.00 52.02 H new ATOM 0 HG SER A 119 8.717 2.455 -11.387 1.00 4.42 H new ATOM 1936 N PRO A 120 12.757 2.101 -14.477 1.00 51.31 N ATOM 1937 CA PRO A 120 13.830 2.964 -14.983 1.00 32.42 C ATOM 1938 C PRO A 120 13.484 4.445 -14.870 1.00 12.43 C ATOM 1939 O PRO A 120 14.235 5.224 -14.283 1.00 45.55 O ATOM 1940 CB PRO A 120 13.951 2.554 -16.452 1.00 63.11 C ATOM 1941 CG PRO A 120 12.610 2.011 -16.806 1.00 61.42 C ATOM 1942 CD PRO A 120 12.083 1.360 -15.556 1.00 52.13 C ATOM 0 HA PRO A 120 14.753 2.843 -14.415 1.00 32.42 H new ATOM 0 HB2 PRO A 120 14.212 3.406 -17.080 1.00 63.11 H new ATOM 0 HB3 PRO A 120 14.731 1.805 -16.591 1.00 63.11 H new ATOM 0 HG2 PRO A 120 11.944 2.805 -17.143 1.00 61.42 H new ATOM 0 HG3 PRO A 120 12.683 1.290 -17.620 1.00 61.42 H new ATOM 0 HD2 PRO A 120 10.999 1.444 -15.485 1.00 52.13 H new ATOM 0 HD3 PRO A 120 12.323 0.297 -15.524 1.00 52.13 H new ATOM 1950 N ARG A 121 12.343 4.827 -15.433 1.00 21.41 N ATOM 1951 CA ARG A 121 11.899 6.215 -15.396 1.00 42.32 C ATOM 1952 C ARG A 121 11.702 6.684 -13.957 1.00 64.11 C ATOM 1953 O ARG A 121 11.888 7.861 -13.647 1.00 61.23 O ATOM 1954 CB ARG A 121 10.595 6.377 -16.180 1.00 63.12 C ATOM 1955 CG ARG A 121 9.349 6.302 -15.312 1.00 24.32 C ATOM 1956 CD ARG A 121 8.872 7.686 -14.901 1.00 24.24 C ATOM 1957 NE ARG A 121 9.457 8.112 -13.633 1.00 72.10 N ATOM 1958 CZ ARG A 121 9.560 9.383 -13.262 1.00 10.50 C ATOM 1959 NH1 ARG A 121 9.118 10.348 -14.057 1.00 64.53 N ATOM 1960 NH2 ARG A 121 10.105 9.692 -12.092 1.00 33.32 N ATOM 0 H ARG A 121 11.709 4.194 -15.921 1.00 21.41 H new ATOM 0 HA ARG A 121 12.671 6.830 -15.858 1.00 42.32 H new ATOM 0 HB2 ARG A 121 10.609 7.336 -16.698 1.00 63.12 H new ATOM 0 HB3 ARG A 121 10.542 5.602 -16.945 1.00 63.12 H new ATOM 0 HG2 ARG A 121 8.556 5.789 -15.856 1.00 24.32 H new ATOM 0 HG3 ARG A 121 9.560 5.709 -14.422 1.00 24.32 H new ATOM 0 HD2 ARG A 121 9.130 8.404 -15.679 1.00 24.24 H new ATOM 0 HD3 ARG A 121 7.785 7.685 -14.817 1.00 24.24 H new ATOM 0 HE ARG A 121 9.806 7.394 -12.997 1.00 72.10 H new ATOM 0 HH11 ARG A 121 8.697 10.115 -14.957 1.00 64.53 H new ATOM 0 HH12 ARG A 121 9.199 11.323 -13.769 1.00 64.53 H new ATOM 0 HH21 ARG A 121 10.445 8.953 -11.477 1.00 33.32 H new ATOM 0 HH22 ARG A 121 10.184 10.669 -11.808 1.00 33.32 H new ATOM 1974 N TYR A 122 11.324 5.757 -13.085 1.00 21.05 N ATOM 1975 CA TYR A 122 11.100 6.076 -11.679 1.00 74.45 C ATOM 1976 C TYR A 122 12.289 5.648 -10.826 1.00 43.14 C ATOM 1977 O TYR A 122 12.588 4.462 -10.681 1.00 75.05 O ATOM 1978 CB TYR A 122 9.826 5.393 -11.178 1.00 51.13 C ATOM 1979 CG TYR A 122 8.580 5.814 -11.923 1.00 75.23 C ATOM 1980 CD1 TYR A 122 7.939 7.011 -11.628 1.00 2.33 C ATOM 1981 CD2 TYR A 122 8.042 5.015 -12.925 1.00 31.52 C ATOM 1982 CE1 TYR A 122 6.800 7.399 -12.306 1.00 41.05 C ATOM 1983 CE2 TYR A 122 6.904 5.394 -13.610 1.00 55.11 C ATOM 1984 CZ TYR A 122 6.287 6.587 -13.296 1.00 33.10 C ATOM 1985 OH TYR A 122 5.152 6.971 -13.975 1.00 22.43 O ATOM 0 H TYR A 122 11.166 4.779 -13.326 1.00 21.05 H new ATOM 0 HA TYR A 122 10.985 7.156 -11.591 1.00 74.45 H new ATOM 0 HB2 TYR A 122 9.944 4.313 -11.266 1.00 51.13 H new ATOM 0 HB3 TYR A 122 9.698 5.614 -10.118 1.00 51.13 H new ATOM 0 HD1 TYR A 122 8.339 7.650 -10.854 1.00 2.33 H new ATOM 0 HD2 TYR A 122 8.523 4.080 -13.173 1.00 31.52 H new ATOM 0 HE1 TYR A 122 6.314 8.332 -12.063 1.00 41.05 H new ATOM 0 HE2 TYR A 122 6.500 4.761 -14.386 1.00 55.11 H new ATOM 0 HH TYR A 122 4.922 6.289 -14.640 1.00 22.43 H new ATOM 1995 N PRO A 123 12.986 6.636 -10.247 1.00 20.01 N ATOM 1996 CA PRO A 123 14.153 6.388 -9.396 1.00 4.32 C ATOM 1997 C PRO A 123 13.777 5.742 -8.068 1.00 11.34 C ATOM 1998 O PRO A 123 14.347 4.724 -7.676 1.00 3.42 O ATOM 1999 CB PRO A 123 14.729 7.788 -9.166 1.00 52.15 C ATOM 2000 CG PRO A 123 13.569 8.707 -9.336 1.00 75.42 C ATOM 2001 CD PRO A 123 12.687 8.073 -10.376 1.00 23.14 C ATOM 0 HA PRO A 123 14.854 5.694 -9.860 1.00 4.32 H new ATOM 0 HB2 PRO A 123 15.163 7.879 -8.170 1.00 52.15 H new ATOM 0 HB3 PRO A 123 15.520 8.013 -9.881 1.00 52.15 H new ATOM 0 HG2 PRO A 123 13.033 8.836 -8.396 1.00 75.42 H new ATOM 0 HG3 PRO A 123 13.898 9.696 -9.654 1.00 75.42 H new ATOM 0 HD2 PRO A 123 11.633 8.282 -10.191 1.00 23.14 H new ATOM 0 HD3 PRO A 123 12.915 8.443 -11.376 1.00 23.14 H new ATOM 2009 N VAL A 124 12.811 6.340 -7.377 1.00 75.20 N ATOM 2010 CA VAL A 124 12.356 5.822 -6.092 1.00 2.30 C ATOM 2011 C VAL A 124 10.941 5.263 -6.195 1.00 3.03 C ATOM 2012 O VAL A 124 10.180 5.631 -7.089 1.00 33.34 O ATOM 2013 CB VAL A 124 12.387 6.912 -5.004 1.00 43.01 C ATOM 2014 CG1 VAL A 124 11.072 7.674 -4.975 1.00 14.44 C ATOM 2015 CG2 VAL A 124 12.689 6.299 -3.645 1.00 44.31 C ATOM 0 H VAL A 124 12.328 7.184 -7.686 1.00 75.20 H new ATOM 0 HA VAL A 124 13.041 5.021 -5.813 1.00 2.30 H new ATOM 0 HB VAL A 124 13.182 7.618 -5.243 1.00 43.01 H new ATOM 0 HG11 VAL A 124 11.112 8.440 -4.200 1.00 14.44 H new ATOM 0 HG12 VAL A 124 10.903 8.146 -5.943 1.00 14.44 H new ATOM 0 HG13 VAL A 124 10.256 6.984 -4.761 1.00 14.44 H new ATOM 0 HG21 VAL A 124 12.707 7.083 -2.888 1.00 44.31 H new ATOM 0 HG22 VAL A 124 11.917 5.571 -3.395 1.00 44.31 H new ATOM 0 HG23 VAL A 124 13.659 5.803 -3.677 1.00 44.31 H new ATOM 2025 N VAL A 125 10.596 4.370 -5.273 1.00 10.13 N ATOM 2026 CA VAL A 125 9.272 3.760 -5.258 1.00 72.42 C ATOM 2027 C VAL A 125 8.823 3.455 -3.834 1.00 1.35 C ATOM 2028 O VAL A 125 9.634 3.261 -2.928 1.00 64.23 O ATOM 2029 CB VAL A 125 9.243 2.458 -6.083 1.00 54.54 C ATOM 2030 CG1 VAL A 125 9.469 2.757 -7.557 1.00 72.13 C ATOM 2031 CG2 VAL A 125 10.282 1.477 -5.563 1.00 2.10 C ATOM 0 H VAL A 125 11.215 4.053 -4.527 1.00 10.13 H new ATOM 0 HA VAL A 125 8.588 4.481 -5.706 1.00 72.42 H new ATOM 0 HB VAL A 125 8.260 2.000 -5.977 1.00 54.54 H new ATOM 0 HG11 VAL A 125 9.445 1.827 -8.125 1.00 72.13 H new ATOM 0 HG12 VAL A 125 8.685 3.422 -7.918 1.00 72.13 H new ATOM 0 HG13 VAL A 125 10.439 3.237 -7.686 1.00 72.13 H new ATOM 0 HG21 VAL A 125 10.249 0.563 -6.156 1.00 2.10 H new ATOM 0 HG22 VAL A 125 11.274 1.923 -5.639 1.00 2.10 H new ATOM 0 HG23 VAL A 125 10.070 1.241 -4.520 1.00 2.10 H new ATOM 2041 N PRO A 126 7.498 3.410 -3.627 1.00 0.15 N ATOM 2042 CA PRO A 126 6.911 3.129 -2.314 1.00 71.41 C ATOM 2043 C PRO A 126 7.125 1.682 -1.881 1.00 41.13 C ATOM 2044 O PRO A 126 6.912 0.752 -2.660 1.00 13.21 O ATOM 2045 CB PRO A 126 5.421 3.408 -2.525 1.00 12.02 C ATOM 2046 CG PRO A 126 5.199 3.203 -3.984 1.00 11.12 C ATOM 2047 CD PRO A 126 6.472 3.632 -4.659 1.00 75.45 C ATOM 0 HA PRO A 126 7.365 3.732 -1.527 1.00 71.41 H new ATOM 0 HB2 PRO A 126 4.804 2.733 -1.932 1.00 12.02 H new ATOM 0 HB3 PRO A 126 5.162 4.423 -2.224 1.00 12.02 H new ATOM 0 HG2 PRO A 126 4.974 2.159 -4.202 1.00 11.12 H new ATOM 0 HG3 PRO A 126 4.352 3.792 -4.337 1.00 11.12 H new ATOM 0 HD2 PRO A 126 6.670 3.043 -5.555 1.00 75.45 H new ATOM 0 HD3 PRO A 126 6.431 4.677 -4.967 1.00 75.45 H new ATOM 2055 N VAL A 127 7.548 1.498 -0.634 1.00 74.13 N ATOM 2056 CA VAL A 127 7.790 0.165 -0.098 1.00 65.50 C ATOM 2057 C VAL A 127 7.195 0.017 1.297 1.00 12.54 C ATOM 2058 O VAL A 127 7.422 -0.984 1.979 1.00 52.13 O ATOM 2059 CB VAL A 127 9.297 -0.151 -0.037 1.00 73.42 C ATOM 2060 CG1 VAL A 127 9.916 -0.067 -1.424 1.00 41.34 C ATOM 2061 CG2 VAL A 127 9.999 0.791 0.927 1.00 2.24 C ATOM 0 H VAL A 127 7.730 2.256 0.024 1.00 74.13 H new ATOM 0 HA VAL A 127 7.305 -0.540 -0.773 1.00 65.50 H new ATOM 0 HB VAL A 127 9.423 -1.170 0.330 1.00 73.42 H new ATOM 0 HG11 VAL A 127 10.980 -0.293 -1.362 1.00 41.34 H new ATOM 0 HG12 VAL A 127 9.430 -0.786 -2.083 1.00 41.34 H new ATOM 0 HG13 VAL A 127 9.781 0.939 -1.822 1.00 41.34 H new ATOM 0 HG21 VAL A 127 11.062 0.554 0.958 1.00 2.24 H new ATOM 0 HG22 VAL A 127 9.866 1.820 0.592 1.00 2.24 H new ATOM 0 HG23 VAL A 127 9.573 0.676 1.923 1.00 2.24 H new ATOM 2071 N HIS A 128 6.432 1.021 1.719 1.00 71.31 N ATOM 2072 CA HIS A 128 5.801 1.003 3.034 1.00 64.32 C ATOM 2073 C HIS A 128 4.699 2.053 3.122 1.00 33.03 C ATOM 2074 O HIS A 128 4.858 3.178 2.645 1.00 73.41 O ATOM 2075 CB HIS A 128 6.844 1.248 4.125 1.00 42.31 C ATOM 2076 CG HIS A 128 6.252 1.658 5.438 1.00 0.11 C ATOM 2077 ND1 HIS A 128 6.383 0.911 6.590 1.00 40.31 N ATOM 2078 CD2 HIS A 128 5.523 2.746 5.778 1.00 13.55 C ATOM 2079 CE1 HIS A 128 5.759 1.522 7.581 1.00 23.24 C ATOM 2080 NE2 HIS A 128 5.229 2.638 7.116 1.00 22.03 N ATOM 0 H HIS A 128 6.236 1.857 1.169 1.00 71.31 H new ATOM 0 HA HIS A 128 5.354 0.020 3.183 1.00 64.32 H new ATOM 0 HB2 HIS A 128 7.429 0.339 4.267 1.00 42.31 H new ATOM 0 HB3 HIS A 128 7.534 2.022 3.789 1.00 42.31 H new ATOM 0 HD1 HIS A 128 6.883 0.025 6.665 1.00 40.31 H new ATOM 0 HD2 HIS A 128 5.227 3.550 5.120 1.00 13.55 H new ATOM 0 HE1 HIS A 128 5.694 1.168 8.599 1.00 23.24 H new ATOM 2089 N LEU A 129 3.581 1.680 3.736 1.00 73.54 N ATOM 2090 CA LEU A 129 2.449 2.589 3.886 1.00 65.02 C ATOM 2091 C LEU A 129 2.151 2.847 5.359 1.00 22.13 C ATOM 2092 O LEU A 129 1.639 1.974 6.061 1.00 51.03 O ATOM 2093 CB LEU A 129 1.212 2.014 3.196 1.00 14.21 C ATOM 2094 CG LEU A 129 0.188 3.033 2.696 1.00 42.02 C ATOM 2095 CD1 LEU A 129 -0.675 3.530 3.845 1.00 75.40 C ATOM 2096 CD2 LEU A 129 0.886 4.198 2.010 1.00 71.33 C ATOM 0 H LEU A 129 3.434 0.754 4.138 1.00 73.54 H new ATOM 0 HA LEU A 129 2.711 3.537 3.416 1.00 65.02 H new ATOM 0 HB2 LEU A 129 1.540 1.413 2.348 1.00 14.21 H new ATOM 0 HB3 LEU A 129 0.713 1.339 3.892 1.00 14.21 H new ATOM 0 HG LEU A 129 -0.458 2.542 1.968 1.00 42.02 H new ATOM 0 HD11 LEU A 129 -1.398 4.254 3.470 1.00 75.40 H new ATOM 0 HD12 LEU A 129 -1.203 2.689 4.293 1.00 75.40 H new ATOM 0 HD13 LEU A 129 -0.043 4.004 4.596 1.00 75.40 H new ATOM 0 HD21 LEU A 129 0.142 4.913 1.660 1.00 71.33 H new ATOM 0 HD22 LEU A 129 1.556 4.688 2.717 1.00 71.33 H new ATOM 0 HD23 LEU A 129 1.461 3.829 1.161 1.00 71.33 H new ATOM 2108 N ASP A 130 2.472 4.050 5.820 1.00 3.14 N ATOM 2109 CA ASP A 130 2.235 4.425 7.210 1.00 24.32 C ATOM 2110 C ASP A 130 0.741 4.504 7.504 1.00 51.20 C ATOM 2111 O ASP A 130 0.233 3.815 8.390 1.00 61.51 O ATOM 2112 CB ASP A 130 2.901 5.766 7.520 1.00 65.11 C ATOM 2113 CG ASP A 130 3.332 5.878 8.969 1.00 11.44 C ATOM 2114 OD1 ASP A 130 2.470 6.174 9.824 1.00 71.30 O ATOM 2115 OD2 ASP A 130 4.531 5.669 9.250 1.00 12.30 O ATOM 0 H ASP A 130 2.897 4.783 5.252 1.00 3.14 H new ATOM 0 HA ASP A 130 2.672 3.656 7.847 1.00 24.32 H new ATOM 0 HB2 ASP A 130 3.770 5.894 6.875 1.00 65.11 H new ATOM 0 HB3 ASP A 130 2.208 6.575 7.287 1.00 65.11 H new ATOM 2120 N THR A 131 0.040 5.352 6.756 1.00 5.33 N ATOM 2121 CA THR A 131 -1.396 5.524 6.939 1.00 44.03 C ATOM 2122 C THR A 131 -1.990 6.389 5.833 1.00 52.22 C ATOM 2123 O THR A 131 -1.273 6.875 4.957 1.00 12.44 O ATOM 2124 CB THR A 131 -1.716 6.163 8.302 1.00 13.13 C ATOM 2125 OG1 THR A 131 -3.130 6.149 8.530 1.00 13.21 O ATOM 2126 CG2 THR A 131 -1.202 7.593 8.365 1.00 1.42 C ATOM 0 H THR A 131 0.444 5.930 6.019 1.00 5.33 H new ATOM 0 HA THR A 131 -1.841 4.530 6.899 1.00 44.03 H new ATOM 0 HB THR A 131 -1.217 5.580 9.076 1.00 13.13 H new ATOM 0 HG1 THR A 131 -3.500 7.037 8.342 1.00 13.21 H new ATOM 0 HG21 THR A 131 -1.440 8.023 9.338 1.00 1.42 H new ATOM 0 HG22 THR A 131 -0.122 7.598 8.221 1.00 1.42 H new ATOM 0 HG23 THR A 131 -1.675 8.185 7.581 1.00 1.42 H new ATOM 2134 N THR A 132 -3.305 6.578 5.878 1.00 41.20 N ATOM 2135 CA THR A 132 -3.995 7.384 4.879 1.00 54.51 C ATOM 2136 C THR A 132 -4.783 8.514 5.534 1.00 61.02 C ATOM 2137 O THR A 132 -5.751 8.271 6.255 1.00 44.45 O ATOM 2138 CB THR A 132 -4.956 6.528 4.033 1.00 64.13 C ATOM 2139 OG1 THR A 132 -5.580 5.534 4.853 1.00 25.25 O ATOM 2140 CG2 THR A 132 -4.215 5.856 2.887 1.00 61.33 C ATOM 0 H THR A 132 -3.913 6.184 6.596 1.00 41.20 H new ATOM 0 HA THR A 132 -3.229 7.807 4.229 1.00 54.51 H new ATOM 0 HB THR A 132 -5.720 7.184 3.616 1.00 64.13 H new ATOM 0 HG1 THR A 132 -5.917 5.951 5.673 1.00 25.25 H new ATOM 0 HG21 THR A 132 -4.914 5.257 2.303 1.00 61.33 H new ATOM 0 HG22 THR A 132 -3.767 6.617 2.248 1.00 61.33 H new ATOM 0 HG23 THR A 132 -3.432 5.212 3.288 1.00 61.33 H new ATOM 2148 N ILE A 133 -4.362 9.748 5.277 1.00 25.40 N ATOM 2149 CA ILE A 133 -5.030 10.915 5.840 1.00 2.43 C ATOM 2150 C ILE A 133 -5.272 11.977 4.774 1.00 35.13 C ATOM 2151 O ILE A 133 -5.927 12.989 5.027 1.00 33.50 O ATOM 2152 CB ILE A 133 -4.210 11.533 6.988 1.00 42.11 C ATOM 2153 CG1 ILE A 133 -3.701 10.439 7.928 1.00 30.00 C ATOM 2154 CG2 ILE A 133 -5.048 12.548 7.751 1.00 71.13 C ATOM 2155 CD1 ILE A 133 -2.393 10.784 8.605 1.00 10.23 C ATOM 0 H ILE A 133 -3.562 9.965 4.683 1.00 25.40 H new ATOM 0 HA ILE A 133 -5.988 10.572 6.232 1.00 2.43 H new ATOM 0 HB ILE A 133 -3.349 12.049 6.563 1.00 42.11 H new ATOM 0 HG12 ILE A 133 -4.456 10.246 8.691 1.00 30.00 H new ATOM 0 HG13 ILE A 133 -3.576 9.515 7.363 1.00 30.00 H new ATOM 0 HG21 ILE A 133 -4.455 12.976 8.559 1.00 71.13 H new ATOM 0 HG22 ILE A 133 -5.364 13.341 7.074 1.00 71.13 H new ATOM 0 HG23 ILE A 133 -5.926 12.055 8.168 1.00 71.13 H new ATOM 0 HD11 ILE A 133 -2.093 9.963 9.256 1.00 10.23 H new ATOM 0 HD12 ILE A 133 -1.624 10.948 7.850 1.00 10.23 H new ATOM 0 HD13 ILE A 133 -2.518 11.690 9.198 1.00 10.23 H new TER 2167 ILE A 133