USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 Single : A 1 ALA N :NH3+ -100:sc= 0.106 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= -0.361 (180deg=-0.558) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -140:sc= -0.411 (180deg=-0.718) USER MOD Single : A 14 ASN : amide:sc= 0.0426 X(o=0.043,f=0.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.2 K(o=-3.2,f=-3.9!) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0524) USER MOD Single : A 23 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.8) USER MOD Single : A 25 SER OG : rot 85:sc= -0.0133 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.123 USER MOD Single : A 35 ASN : amide:sc= -0.239 K(o=-0.24,f=-3!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00313 USER MOD Single : A 59 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.7!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.093) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0924 X(o=-0.092,f=-0.13) USER MOD Single : A 80 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.97!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.19) USER MOD Single : A 91 HIS : no HE2:sc= -0.42 K(o=-0.42,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.292 11.650 -7.858 1.00 0.00 N ATOM 2 CA ALA A 1 -15.859 12.402 -6.647 1.00 0.00 C ATOM 3 C ALA A 1 -14.503 13.058 -6.913 1.00 0.00 C ATOM 4 O ALA A 1 -13.811 12.714 -7.853 1.00 0.00 O ATOM 5 CB ALA A 1 -15.740 11.438 -5.465 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.982 12.217 -8.391 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.466 11.455 -8.459 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.730 10.752 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.594 13.172 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.423 11.987 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.707 10.972 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.005 10.667 -5.697 1.00 0.00 H new ATOM 13 N ARG A 2 -14.118 13.999 -6.087 1.00 0.00 N ATOM 14 CA ARG A 2 -12.808 14.686 -6.279 1.00 0.00 C ATOM 15 C ARG A 2 -12.004 14.627 -4.970 1.00 0.00 C ATOM 16 O ARG A 2 -11.981 15.583 -4.219 1.00 0.00 O ATOM 17 CB ARG A 2 -13.058 16.147 -6.666 1.00 0.00 C ATOM 18 CG ARG A 2 -11.749 16.792 -7.120 1.00 0.00 C ATOM 19 CD ARG A 2 -11.814 18.299 -6.863 1.00 0.00 C ATOM 20 NE ARG A 2 -12.746 18.927 -7.840 1.00 0.00 N ATOM 21 CZ ARG A 2 -13.157 20.152 -7.655 1.00 0.00 C ATOM 22 NH1 ARG A 2 -12.293 21.104 -7.435 1.00 0.00 N ATOM 23 NH2 ARG A 2 -14.433 20.424 -7.689 1.00 0.00 N ATOM 0 H ARG A 2 -14.659 14.321 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.244 14.192 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -13.797 16.200 -7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.468 16.693 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.908 16.355 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.583 16.599 -8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.153 18.491 -5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.821 18.738 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.063 18.400 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.296 20.891 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.615 22.061 -7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.109 19.679 -7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.754 21.381 -7.544 1.00 0.00 H new ATOM 37 N PRO A 3 -11.368 13.495 -4.734 1.00 0.00 N ATOM 38 CA PRO A 3 -10.578 13.375 -3.485 1.00 0.00 C ATOM 39 C PRO A 3 -9.097 13.653 -3.761 1.00 0.00 C ATOM 40 O PRO A 3 -8.571 13.293 -4.797 1.00 0.00 O ATOM 41 CB PRO A 3 -10.779 11.927 -3.039 1.00 0.00 C ATOM 42 CG PRO A 3 -11.170 11.135 -4.302 1.00 0.00 C ATOM 43 CD PRO A 3 -11.633 12.164 -5.345 1.00 0.00 C ATOM 0 HA PRO A 3 -10.893 14.089 -2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.867 11.527 -2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.559 11.859 -2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.323 10.560 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.966 10.423 -4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.088 12.046 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.691 12.041 -5.575 1.00 0.00 H new ATOM 51 N ALA A 4 -8.423 14.291 -2.837 1.00 0.00 N ATOM 52 CA ALA A 4 -6.975 14.599 -3.032 1.00 0.00 C ATOM 53 C ALA A 4 -6.148 13.310 -2.940 1.00 0.00 C ATOM 54 O ALA A 4 -5.050 13.237 -3.457 1.00 0.00 O ATOM 55 CB ALA A 4 -6.512 15.579 -1.952 1.00 0.00 C ATOM 0 H ALA A 4 -8.816 14.613 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.834 15.045 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.455 15.804 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.092 16.499 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.659 15.133 -0.968 1.00 0.00 H new ATOM 61 N PHE A 5 -6.666 12.296 -2.288 1.00 0.00 N ATOM 62 CA PHE A 5 -5.909 11.015 -2.166 1.00 0.00 C ATOM 63 C PHE A 5 -5.798 10.356 -3.545 1.00 0.00 C ATOM 64 O PHE A 5 -4.717 10.036 -3.999 1.00 0.00 O ATOM 65 CB PHE A 5 -6.648 10.073 -1.209 1.00 0.00 C ATOM 66 CG PHE A 5 -5.823 8.823 -0.994 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.767 8.832 -0.075 1.00 0.00 C ATOM 68 CD2 PHE A 5 -6.112 7.657 -1.715 1.00 0.00 C ATOM 69 CE1 PHE A 5 -4.000 7.677 0.123 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.344 6.502 -1.517 1.00 0.00 C ATOM 71 CZ PHE A 5 -4.288 6.513 -0.598 1.00 0.00 C ATOM 0 H PHE A 5 -7.580 12.303 -1.836 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.911 11.218 -1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.827 10.572 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.623 9.812 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.544 9.730 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.927 7.648 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.186 7.685 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.567 5.603 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.696 5.623 -0.446 1.00 0.00 H new ATOM 81 N VAL A 6 -6.909 10.146 -4.208 1.00 0.00 N ATOM 82 CA VAL A 6 -6.876 9.499 -5.555 1.00 0.00 C ATOM 83 C VAL A 6 -6.104 10.391 -6.538 1.00 0.00 C ATOM 84 O VAL A 6 -5.343 9.903 -7.354 1.00 0.00 O ATOM 85 CB VAL A 6 -8.313 9.278 -6.050 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.298 8.630 -7.440 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.042 8.353 -5.072 1.00 0.00 C ATOM 0 H VAL A 6 -7.839 10.396 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.372 8.535 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.824 10.239 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.322 8.478 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.775 9.282 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.786 7.669 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.063 8.191 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.521 7.397 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.061 8.811 -4.083 1.00 0.00 H new ATOM 97 N ASN A 7 -6.282 11.687 -6.459 1.00 0.00 N ATOM 98 CA ASN A 7 -5.542 12.605 -7.381 1.00 0.00 C ATOM 99 C ASN A 7 -4.037 12.476 -7.111 1.00 0.00 C ATOM 100 O ASN A 7 -3.219 12.644 -7.994 1.00 0.00 O ATOM 101 CB ASN A 7 -5.989 14.049 -7.140 1.00 0.00 C ATOM 102 CG ASN A 7 -7.306 14.313 -7.877 1.00 0.00 C ATOM 103 OD1 ASN A 7 -7.389 15.212 -8.690 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.347 13.564 -7.629 1.00 0.00 N ATOM 0 H ASN A 7 -6.906 12.148 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.754 12.337 -8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.117 14.227 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.222 14.740 -7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.226 13.735 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.281 12.808 -6.947 1.00 0.00 H new ATOM 111 N LYS A 8 -3.681 12.169 -5.891 1.00 0.00 N ATOM 112 CA LYS A 8 -2.244 12.008 -5.525 1.00 0.00 C ATOM 113 C LYS A 8 -1.774 10.602 -5.966 1.00 0.00 C ATOM 114 O LYS A 8 -0.598 10.375 -6.181 1.00 0.00 O ATOM 115 CB LYS A 8 -2.131 12.241 -3.988 1.00 0.00 C ATOM 116 CG LYS A 8 -1.075 11.350 -3.293 1.00 0.00 C ATOM 117 CD LYS A 8 -1.777 10.204 -2.540 1.00 0.00 C ATOM 118 CE LYS A 8 -1.377 8.857 -3.141 1.00 0.00 C ATOM 119 NZ LYS A 8 -2.512 7.902 -3.020 1.00 0.00 N ATOM 0 H LYS A 8 -4.335 12.021 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.597 12.727 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.885 13.287 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.103 12.058 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.385 10.943 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.483 11.946 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.508 10.234 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.858 10.330 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.103 8.981 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.500 8.463 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.299 7.039 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.655 7.657 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.377 8.341 -3.396 1.00 0.00 H new ATOM 133 N LEU A 9 -2.684 9.669 -6.100 1.00 0.00 N ATOM 134 CA LEU A 9 -2.306 8.287 -6.522 1.00 0.00 C ATOM 135 C LEU A 9 -2.029 8.261 -8.031 1.00 0.00 C ATOM 136 O LEU A 9 -1.278 7.437 -8.517 1.00 0.00 O ATOM 137 CB LEU A 9 -3.465 7.336 -6.200 1.00 0.00 C ATOM 138 CG LEU A 9 -3.083 5.898 -6.565 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.109 5.341 -5.526 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.342 5.031 -6.598 1.00 0.00 C ATOM 0 H LEU A 9 -3.681 9.808 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.408 7.975 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.712 7.397 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.356 7.635 -6.753 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.606 5.890 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.841 4.318 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.210 5.957 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.581 5.350 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.072 4.007 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.818 5.043 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.035 5.424 -7.342 1.00 0.00 H new ATOM 152 N TRP A 10 -2.642 9.143 -8.774 1.00 0.00 N ATOM 153 CA TRP A 10 -2.436 9.161 -10.255 1.00 0.00 C ATOM 154 C TRP A 10 -1.009 9.617 -10.602 1.00 0.00 C ATOM 155 O TRP A 10 -0.579 9.490 -11.733 1.00 0.00 O ATOM 156 CB TRP A 10 -3.435 10.135 -10.885 1.00 0.00 C ATOM 157 CG TRP A 10 -4.702 9.430 -11.279 1.00 0.00 C ATOM 158 CD1 TRP A 10 -5.603 9.925 -12.159 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.234 8.139 -10.835 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.649 9.032 -12.284 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.471 7.918 -11.492 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.780 7.149 -9.940 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.224 6.764 -11.271 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.537 5.987 -9.717 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.756 5.796 -10.381 1.00 0.00 C ATOM 0 H TRP A 10 -3.280 9.856 -8.419 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.587 8.153 -10.642 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.664 10.933 -10.179 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.988 10.603 -11.762 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.518 10.867 -12.680 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.456 9.179 -12.890 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.842 7.285 -9.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.163 6.621 -11.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.177 5.236 -9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.333 4.900 -10.204 1.00 0.00 H new ATOM 176 N SER A 11 -0.278 10.162 -9.657 1.00 0.00 N ATOM 177 CA SER A 11 1.107 10.639 -9.961 1.00 0.00 C ATOM 178 C SER A 11 2.142 9.570 -9.598 1.00 0.00 C ATOM 179 O SER A 11 2.968 9.197 -10.409 1.00 0.00 O ATOM 180 CB SER A 11 1.390 11.906 -9.153 1.00 0.00 C ATOM 181 OG SER A 11 2.329 12.709 -9.853 1.00 0.00 O ATOM 0 H SER A 11 -0.581 10.296 -8.692 1.00 0.00 H new ATOM 0 HA SER A 11 1.179 10.846 -11.029 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.467 12.462 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.780 11.644 -8.169 1.00 0.00 H new ATOM 0 HG SER A 11 2.511 13.523 -9.338 1.00 0.00 H new ATOM 187 N MET A 12 2.118 9.093 -8.380 1.00 0.00 N ATOM 188 CA MET A 12 3.116 8.065 -7.948 1.00 0.00 C ATOM 189 C MET A 12 2.915 6.756 -8.723 1.00 0.00 C ATOM 190 O MET A 12 3.864 6.051 -9.011 1.00 0.00 O ATOM 191 CB MET A 12 2.962 7.805 -6.444 1.00 0.00 C ATOM 192 CG MET A 12 1.552 7.290 -6.141 1.00 0.00 C ATOM 193 SD MET A 12 1.209 7.493 -4.378 1.00 0.00 S ATOM 194 CE MET A 12 2.257 6.144 -3.782 1.00 0.00 C ATOM 0 H MET A 12 1.448 9.371 -7.663 1.00 0.00 H new ATOM 0 HA MET A 12 4.118 8.439 -8.156 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.702 7.076 -6.115 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.150 8.723 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.818 7.838 -6.732 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.468 6.240 -6.421 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.750 5.619 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.454 5.448 -4.598 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.200 6.550 -3.416 1.00 0.00 H new ATOM 204 N VAL A 13 1.692 6.424 -9.053 1.00 0.00 N ATOM 205 CA VAL A 13 1.433 5.151 -9.800 1.00 0.00 C ATOM 206 C VAL A 13 1.575 5.384 -11.317 1.00 0.00 C ATOM 207 O VAL A 13 1.449 4.462 -12.101 1.00 0.00 O ATOM 208 CB VAL A 13 0.013 4.644 -9.495 1.00 0.00 C ATOM 209 CG1 VAL A 13 -0.113 3.179 -9.920 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.272 4.747 -7.992 1.00 0.00 C ATOM 0 H VAL A 13 0.862 6.977 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 13 2.163 4.407 -9.481 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.702 5.256 -10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.120 2.822 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.080 3.092 -10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.611 2.577 -9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.280 4.386 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.449 4.142 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.188 5.787 -7.676 1.00 0.00 H new ATOM 220 N ASN A 14 1.836 6.601 -11.741 1.00 0.00 N ATOM 221 CA ASN A 14 1.981 6.872 -13.203 1.00 0.00 C ATOM 222 C ASN A 14 3.225 6.159 -13.751 1.00 0.00 C ATOM 223 O ASN A 14 3.337 5.926 -14.940 1.00 0.00 O ATOM 224 CB ASN A 14 2.111 8.383 -13.425 1.00 0.00 C ATOM 225 CG ASN A 14 1.196 8.820 -14.574 1.00 0.00 C ATOM 226 OD1 ASN A 14 1.182 8.207 -15.623 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.427 9.862 -14.416 1.00 0.00 N ATOM 0 H ASN A 14 1.954 7.414 -11.136 1.00 0.00 H new ATOM 0 HA ASN A 14 1.102 6.498 -13.728 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.846 8.918 -12.513 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.145 8.638 -13.655 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.187 10.163 -15.173 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.439 10.376 -13.535 1.00 0.00 H new ATOM 234 N ASP A 15 4.160 5.808 -12.897 1.00 0.00 N ATOM 235 CA ASP A 15 5.402 5.103 -13.363 1.00 0.00 C ATOM 236 C ASP A 15 6.277 6.080 -14.148 1.00 0.00 C ATOM 237 O ASP A 15 6.914 5.713 -15.118 1.00 0.00 O ATOM 238 CB ASP A 15 5.053 3.902 -14.263 1.00 0.00 C ATOM 239 CG ASP A 15 3.810 3.183 -13.732 1.00 0.00 C ATOM 240 OD1 ASP A 15 3.600 3.214 -12.531 1.00 0.00 O ATOM 241 OD2 ASP A 15 3.090 2.614 -14.535 1.00 0.00 O ATOM 0 H ASP A 15 4.117 5.980 -11.893 1.00 0.00 H new ATOM 0 HA ASP A 15 5.937 4.737 -12.487 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.876 4.243 -15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.894 3.210 -14.299 1.00 0.00 H new ATOM 246 N LYS A 16 6.315 7.320 -13.736 1.00 0.00 N ATOM 247 CA LYS A 16 7.154 8.324 -14.448 1.00 0.00 C ATOM 248 C LYS A 16 8.543 8.378 -13.800 1.00 0.00 C ATOM 249 O LYS A 16 9.550 8.189 -14.455 1.00 0.00 O ATOM 250 CB LYS A 16 6.488 9.700 -14.368 1.00 0.00 C ATOM 251 CG LYS A 16 7.067 10.615 -15.449 1.00 0.00 C ATOM 252 CD LYS A 16 6.264 11.917 -15.505 1.00 0.00 C ATOM 253 CE LYS A 16 4.939 11.675 -16.232 1.00 0.00 C ATOM 254 NZ LYS A 16 4.595 12.869 -17.055 1.00 0.00 N ATOM 0 H LYS A 16 5.798 7.680 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 16 7.256 8.038 -15.495 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.410 9.602 -14.500 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.650 10.137 -13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.114 10.831 -15.235 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.036 10.115 -16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.075 12.282 -14.496 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.837 12.687 -16.021 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.017 10.793 -16.868 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.147 11.478 -15.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.695 12.703 -17.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.503 13.701 -16.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.347 13.037 -17.754 1.00 0.00 H new ATOM 268 N SER A 17 8.596 8.635 -12.515 1.00 0.00 N ATOM 269 CA SER A 17 9.912 8.703 -11.810 1.00 0.00 C ATOM 270 C SER A 17 10.217 7.345 -11.176 1.00 0.00 C ATOM 271 O SER A 17 11.309 6.823 -11.294 1.00 0.00 O ATOM 272 CB SER A 17 9.849 9.772 -10.718 1.00 0.00 C ATOM 273 OG SER A 17 10.342 11.002 -11.236 1.00 0.00 O ATOM 0 H SER A 17 7.781 8.801 -11.924 1.00 0.00 H new ATOM 0 HA SER A 17 10.696 8.958 -12.523 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.823 9.895 -10.372 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.441 9.464 -9.856 1.00 0.00 H new ATOM 0 HG SER A 17 10.302 11.690 -10.539 1.00 0.00 H new ATOM 279 N ASN A 18 9.251 6.772 -10.505 1.00 0.00 N ATOM 280 CA ASN A 18 9.458 5.443 -9.856 1.00 0.00 C ATOM 281 C ASN A 18 8.887 4.350 -10.764 1.00 0.00 C ATOM 282 O ASN A 18 8.138 3.493 -10.333 1.00 0.00 O ATOM 283 CB ASN A 18 8.741 5.421 -8.502 1.00 0.00 C ATOM 284 CG ASN A 18 7.277 5.826 -8.693 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.534 5.155 -9.382 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.829 6.904 -8.112 1.00 0.00 N ATOM 0 H ASN A 18 8.321 7.171 -10.378 1.00 0.00 H new ATOM 0 HA ASN A 18 10.522 5.267 -9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.800 4.425 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.231 6.104 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.856 7.183 -8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.452 7.468 -7.533 1.00 0.00 H new ATOM 293 N GLU A 19 9.232 4.387 -12.024 1.00 0.00 N ATOM 294 CA GLU A 19 8.715 3.369 -12.984 1.00 0.00 C ATOM 295 C GLU A 19 9.283 1.978 -12.646 1.00 0.00 C ATOM 296 O GLU A 19 8.711 0.966 -13.003 1.00 0.00 O ATOM 297 CB GLU A 19 9.112 3.786 -14.413 1.00 0.00 C ATOM 298 CG GLU A 19 10.624 3.639 -14.624 1.00 0.00 C ATOM 299 CD GLU A 19 11.014 4.241 -15.975 1.00 0.00 C ATOM 300 OE1 GLU A 19 10.204 4.180 -16.886 1.00 0.00 O ATOM 301 OE2 GLU A 19 12.117 4.753 -16.077 1.00 0.00 O ATOM 0 H GLU A 19 9.855 5.084 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 19 7.629 3.313 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.578 3.171 -15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.814 4.819 -14.591 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.164 4.141 -13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.906 2.587 -14.588 1.00 0.00 H new ATOM 308 N LYS A 20 10.408 1.928 -11.976 1.00 0.00 N ATOM 309 CA LYS A 20 11.024 0.610 -11.630 1.00 0.00 C ATOM 310 C LYS A 20 10.568 0.138 -10.237 1.00 0.00 C ATOM 311 O LYS A 20 10.874 -0.968 -9.831 1.00 0.00 O ATOM 312 CB LYS A 20 12.554 0.757 -11.647 1.00 0.00 C ATOM 313 CG LYS A 20 13.163 -0.213 -12.667 1.00 0.00 C ATOM 314 CD LYS A 20 13.668 -1.465 -11.946 1.00 0.00 C ATOM 315 CE LYS A 20 13.525 -2.676 -12.869 1.00 0.00 C ATOM 316 NZ LYS A 20 12.106 -3.129 -12.877 1.00 0.00 N ATOM 0 H LYS A 20 10.927 2.745 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 20 10.706 -0.132 -12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.826 1.782 -11.900 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.958 0.555 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.418 -0.487 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.984 0.269 -13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.711 -1.336 -11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.100 -1.624 -11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.841 -2.416 -13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.174 -3.484 -12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.888 -3.573 -13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.958 -3.819 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.480 -2.312 -12.731 1.00 0.00 H new ATOM 330 N PHE A 21 9.852 0.956 -9.499 1.00 0.00 N ATOM 331 CA PHE A 21 9.398 0.532 -8.140 1.00 0.00 C ATOM 332 C PHE A 21 7.887 0.248 -8.140 1.00 0.00 C ATOM 333 O PHE A 21 7.367 -0.351 -7.218 1.00 0.00 O ATOM 334 CB PHE A 21 9.717 1.640 -7.132 1.00 0.00 C ATOM 335 CG PHE A 21 11.210 1.691 -6.902 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.830 0.714 -6.113 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.976 2.709 -7.484 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.214 0.756 -5.904 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.360 2.752 -7.274 1.00 0.00 C ATOM 340 CZ PHE A 21 13.979 1.774 -6.485 1.00 0.00 C ATOM 0 H PHE A 21 9.565 1.894 -9.780 1.00 0.00 H new ATOM 0 HA PHE A 21 9.921 -0.382 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.362 2.601 -7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.199 1.452 -6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.240 -0.072 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.499 3.461 -8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.691 0.003 -5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.950 3.539 -7.720 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.047 1.805 -6.325 1.00 0.00 H new ATOM 350 N ILE A 22 7.177 0.668 -9.163 1.00 0.00 N ATOM 351 CA ILE A 22 5.705 0.418 -9.215 1.00 0.00 C ATOM 352 C ILE A 22 5.210 0.634 -10.650 1.00 0.00 C ATOM 353 O ILE A 22 5.591 1.586 -11.306 1.00 0.00 O ATOM 354 CB ILE A 22 4.989 1.384 -8.257 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.477 1.132 -8.298 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.274 2.832 -8.667 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.804 1.827 -7.111 1.00 0.00 C ATOM 0 H ILE A 22 7.557 1.173 -9.963 1.00 0.00 H new ATOM 0 HA ILE A 22 5.490 -0.606 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 22 5.358 1.216 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.062 1.506 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.276 0.061 -8.266 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.763 3.511 -7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.347 3.017 -8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.914 3.000 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.730 1.645 -7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.210 1.432 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.992 2.899 -7.163 1.00 0.00 H new ATOM 369 N HIS A 23 4.364 -0.239 -11.138 1.00 0.00 N ATOM 370 CA HIS A 23 3.846 -0.076 -12.530 1.00 0.00 C ATOM 371 C HIS A 23 2.536 -0.844 -12.702 1.00 0.00 C ATOM 372 O HIS A 23 2.297 -1.848 -12.056 1.00 0.00 O ATOM 373 CB HIS A 23 4.876 -0.567 -13.567 1.00 0.00 C ATOM 374 CG HIS A 23 5.650 -1.752 -13.044 1.00 0.00 C ATOM 375 ND1 HIS A 23 6.786 -1.604 -12.265 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.468 -3.104 -13.189 1.00 0.00 C ATOM 377 CE1 HIS A 23 7.242 -2.836 -11.973 1.00 0.00 C ATOM 378 NE2 HIS A 23 6.475 -3.788 -12.513 1.00 0.00 N ATOM 0 H HIS A 23 4.011 -1.053 -10.635 1.00 0.00 H new ATOM 0 HA HIS A 23 3.666 0.986 -12.697 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.365 -0.841 -14.490 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.564 0.242 -13.812 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.665 -3.568 -13.743 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.120 -3.031 -11.375 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.600 -4.798 -12.445 1.00 0.00 H new ATOM 386 N TRP A 24 1.686 -0.365 -13.574 1.00 0.00 N ATOM 387 CA TRP A 24 0.379 -1.037 -13.815 1.00 0.00 C ATOM 388 C TRP A 24 0.625 -2.443 -14.366 1.00 0.00 C ATOM 389 O TRP A 24 1.624 -2.696 -15.012 1.00 0.00 O ATOM 390 CB TRP A 24 -0.420 -0.230 -14.843 1.00 0.00 C ATOM 391 CG TRP A 24 -0.976 1.005 -14.208 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.278 1.870 -13.434 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.333 1.528 -14.283 1.00 0.00 C ATOM 394 NE1 TRP A 24 -1.124 2.889 -13.030 1.00 0.00 N ATOM 395 CE2 TRP A 24 -2.400 2.721 -13.526 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.502 1.085 -14.928 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -3.585 3.450 -13.414 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.696 1.815 -14.818 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.738 2.995 -14.062 1.00 0.00 C ATOM 0 H TRP A 24 1.846 0.472 -14.134 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.177 -1.101 -12.880 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.221 0.040 -15.682 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.231 -0.839 -15.244 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.767 1.780 -13.175 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.838 3.669 -12.438 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.481 0.177 -15.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.611 4.359 -12.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.587 1.466 -15.318 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.660 3.552 -13.980 1.00 0.00 H new ATOM 410 N SER A 25 -0.282 -3.357 -14.125 1.00 0.00 N ATOM 411 CA SER A 25 -0.105 -4.745 -14.647 1.00 0.00 C ATOM 412 C SER A 25 -0.213 -4.715 -16.173 1.00 0.00 C ATOM 413 O SER A 25 -0.624 -3.724 -16.749 1.00 0.00 O ATOM 414 CB SER A 25 -1.200 -5.649 -14.078 1.00 0.00 C ATOM 415 OG SER A 25 -1.336 -5.402 -12.684 1.00 0.00 O ATOM 0 H SER A 25 -1.136 -3.201 -13.590 1.00 0.00 H new ATOM 0 HA SER A 25 0.870 -5.131 -14.350 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.145 -5.459 -14.587 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.950 -6.696 -14.251 1.00 0.00 H new ATOM 0 HG SER A 25 -1.931 -4.636 -12.544 1.00 0.00 H new ATOM 421 N THR A 26 0.146 -5.790 -16.835 1.00 0.00 N ATOM 422 CA THR A 26 0.055 -5.819 -18.327 1.00 0.00 C ATOM 423 C THR A 26 -1.405 -5.617 -18.740 1.00 0.00 C ATOM 424 O THR A 26 -2.311 -6.092 -18.081 1.00 0.00 O ATOM 425 CB THR A 26 0.556 -7.167 -18.852 1.00 0.00 C ATOM 426 OG1 THR A 26 1.805 -7.473 -18.247 1.00 0.00 O ATOM 427 CG2 THR A 26 0.729 -7.096 -20.371 1.00 0.00 C ATOM 0 H THR A 26 0.497 -6.646 -16.406 1.00 0.00 H new ATOM 0 HA THR A 26 0.672 -5.024 -18.747 1.00 0.00 H new ATOM 0 HB THR A 26 -0.169 -7.943 -18.608 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.127 -8.336 -18.580 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.086 -8.057 -20.742 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.228 -6.860 -20.836 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.453 -6.320 -20.619 1.00 0.00 H new ATOM 435 N SER A 27 -1.641 -4.902 -19.811 1.00 0.00 N ATOM 436 CA SER A 27 -3.046 -4.649 -20.258 1.00 0.00 C ATOM 437 C SER A 27 -3.786 -3.861 -19.168 1.00 0.00 C ATOM 438 O SER A 27 -4.996 -3.930 -19.056 1.00 0.00 O ATOM 439 CB SER A 27 -3.763 -5.981 -20.499 1.00 0.00 C ATOM 440 OG SER A 27 -4.699 -5.825 -21.558 1.00 0.00 O ATOM 0 H SER A 27 -0.920 -4.481 -20.397 1.00 0.00 H new ATOM 0 HA SER A 27 -3.034 -4.077 -21.186 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.039 -6.757 -20.749 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.274 -6.302 -19.591 1.00 0.00 H new ATOM 0 HG SER A 27 -5.159 -6.676 -21.716 1.00 0.00 H new ATOM 446 N GLY A 28 -3.063 -3.115 -18.366 1.00 0.00 N ATOM 447 CA GLY A 28 -3.710 -2.321 -17.281 1.00 0.00 C ATOM 448 C GLY A 28 -4.403 -3.264 -16.296 1.00 0.00 C ATOM 449 O GLY A 28 -4.020 -4.407 -16.144 1.00 0.00 O ATOM 0 H GLY A 28 -2.048 -3.024 -18.419 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.963 -1.721 -16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.435 -1.628 -17.707 1.00 0.00 H new ATOM 453 N GLU A 29 -5.424 -2.786 -15.629 1.00 0.00 N ATOM 454 CA GLU A 29 -6.173 -3.629 -14.645 1.00 0.00 C ATOM 455 C GLU A 29 -5.292 -3.939 -13.430 1.00 0.00 C ATOM 456 O GLU A 29 -4.309 -4.649 -13.522 1.00 0.00 O ATOM 457 CB GLU A 29 -6.626 -4.949 -15.292 1.00 0.00 C ATOM 458 CG GLU A 29 -7.338 -4.672 -16.620 1.00 0.00 C ATOM 459 CD GLU A 29 -8.851 -4.644 -16.393 1.00 0.00 C ATOM 460 OE1 GLU A 29 -9.271 -4.107 -15.381 1.00 0.00 O ATOM 461 OE2 GLU A 29 -9.564 -5.161 -17.238 1.00 0.00 O ATOM 0 H GLU A 29 -5.776 -1.833 -15.726 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.052 -3.070 -14.324 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.764 -5.594 -15.461 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.295 -5.482 -14.617 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.004 -3.720 -17.032 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.083 -5.442 -17.349 1.00 0.00 H new ATOM 468 N SER A 30 -5.663 -3.421 -12.287 1.00 0.00 N ATOM 469 CA SER A 30 -4.888 -3.684 -11.033 1.00 0.00 C ATOM 470 C SER A 30 -3.450 -3.169 -11.158 1.00 0.00 C ATOM 471 O SER A 30 -2.950 -2.930 -12.241 1.00 0.00 O ATOM 472 CB SER A 30 -4.861 -5.188 -10.755 1.00 0.00 C ATOM 473 OG SER A 30 -6.185 -5.702 -10.818 1.00 0.00 O ATOM 0 H SER A 30 -6.478 -2.820 -12.166 1.00 0.00 H new ATOM 0 HA SER A 30 -5.376 -3.159 -10.212 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.228 -5.693 -11.484 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.431 -5.380 -9.772 1.00 0.00 H new ATOM 0 HG SER A 30 -6.170 -6.666 -10.642 1.00 0.00 H new ATOM 479 N ILE A 31 -2.787 -3.008 -10.040 1.00 0.00 N ATOM 480 CA ILE A 31 -1.378 -2.517 -10.047 1.00 0.00 C ATOM 481 C ILE A 31 -0.463 -3.614 -9.495 1.00 0.00 C ATOM 482 O ILE A 31 -0.921 -4.558 -8.878 1.00 0.00 O ATOM 483 CB ILE A 31 -1.275 -1.270 -9.164 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.291 -0.228 -9.640 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.139 -0.688 -9.253 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.419 0.881 -8.594 1.00 0.00 C ATOM 0 H ILE A 31 -3.168 -3.199 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.076 -2.267 -11.064 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.486 -1.539 -8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.975 0.193 -10.594 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.260 -0.699 -9.805 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.208 0.199 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.860 -1.431 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.357 -0.417 -10.286 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.143 1.621 -8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.755 0.453 -7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.450 1.360 -8.451 1.00 0.00 H new ATOM 498 N VAL A 32 0.825 -3.502 -9.714 1.00 0.00 N ATOM 499 CA VAL A 32 1.767 -4.545 -9.206 1.00 0.00 C ATOM 500 C VAL A 32 2.826 -3.900 -8.309 1.00 0.00 C ATOM 501 O VAL A 32 3.335 -2.834 -8.599 1.00 0.00 O ATOM 502 CB VAL A 32 2.456 -5.224 -10.392 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.334 -6.374 -9.894 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.395 -5.771 -11.347 1.00 0.00 C ATOM 0 H VAL A 32 1.263 -2.734 -10.222 1.00 0.00 H new ATOM 0 HA VAL A 32 1.209 -5.282 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 32 3.079 -4.496 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.822 -6.853 -10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.091 -5.985 -9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.716 -7.104 -9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.882 -6.255 -12.193 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.773 -6.496 -10.823 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.773 -4.952 -11.707 1.00 0.00 H new ATOM 514 N VAL A 33 3.167 -4.552 -7.227 1.00 0.00 N ATOM 515 CA VAL A 33 4.205 -3.999 -6.307 1.00 0.00 C ATOM 516 C VAL A 33 5.368 -4.998 -6.204 1.00 0.00 C ATOM 517 O VAL A 33 5.445 -5.754 -5.253 1.00 0.00 O ATOM 518 CB VAL A 33 3.599 -3.771 -4.919 1.00 0.00 C ATOM 519 CG1 VAL A 33 4.639 -3.116 -4.005 1.00 0.00 C ATOM 520 CG2 VAL A 33 2.378 -2.853 -5.037 1.00 0.00 C ATOM 0 H VAL A 33 2.770 -5.447 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 33 4.569 -3.048 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 33 3.296 -4.729 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.206 -2.955 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.508 -3.768 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.944 -2.159 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.947 -2.691 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.682 -1.896 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.635 -3.318 -5.685 1.00 0.00 H new ATOM 530 N PRO A 34 6.238 -4.972 -7.192 1.00 0.00 N ATOM 531 CA PRO A 34 7.381 -5.916 -7.146 1.00 0.00 C ATOM 532 C PRO A 34 8.355 -5.502 -6.039 1.00 0.00 C ATOM 533 O PRO A 34 9.024 -6.329 -5.448 1.00 0.00 O ATOM 534 CB PRO A 34 8.040 -5.799 -8.521 1.00 0.00 C ATOM 535 CG PRO A 34 7.634 -4.423 -9.077 1.00 0.00 C ATOM 536 CD PRO A 34 6.375 -3.993 -8.304 1.00 0.00 C ATOM 0 HA PRO A 34 7.073 -6.939 -6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.124 -5.882 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.707 -6.599 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.437 -3.698 -8.944 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.432 -4.481 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.477 -2.977 -7.922 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.496 -4.005 -8.948 1.00 0.00 H new ATOM 544 N ASN A 35 8.429 -4.228 -5.750 1.00 0.00 N ATOM 545 CA ASN A 35 9.347 -3.749 -4.676 1.00 0.00 C ATOM 546 C ASN A 35 8.535 -3.003 -3.613 1.00 0.00 C ATOM 547 O ASN A 35 8.578 -1.793 -3.521 1.00 0.00 O ATOM 548 CB ASN A 35 10.393 -2.804 -5.278 1.00 0.00 C ATOM 549 CG ASN A 35 11.655 -3.587 -5.649 1.00 0.00 C ATOM 550 OD1 ASN A 35 11.857 -4.697 -5.195 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.521 -3.046 -6.460 1.00 0.00 N ATOM 0 H ASN A 35 7.890 -3.497 -6.214 1.00 0.00 H new ATOM 0 HA ASN A 35 9.851 -4.601 -4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.986 -2.314 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.639 -2.019 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.368 -3.554 -6.714 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.351 -2.115 -6.840 1.00 0.00 H new ATOM 558 N ARG A 36 7.791 -3.722 -2.812 1.00 0.00 N ATOM 559 CA ARG A 36 6.968 -3.066 -1.750 1.00 0.00 C ATOM 560 C ARG A 36 7.872 -2.554 -0.623 1.00 0.00 C ATOM 561 O ARG A 36 7.504 -1.662 0.118 1.00 0.00 O ATOM 562 CB ARG A 36 5.981 -4.085 -1.172 1.00 0.00 C ATOM 563 CG ARG A 36 6.735 -5.340 -0.712 1.00 0.00 C ATOM 564 CD ARG A 36 6.283 -5.727 0.701 1.00 0.00 C ATOM 565 NE ARG A 36 7.200 -5.112 1.702 1.00 0.00 N ATOM 566 CZ ARG A 36 6.822 -4.984 2.945 1.00 0.00 C ATOM 567 NH1 ARG A 36 5.826 -4.197 3.248 1.00 0.00 N ATOM 568 NH2 ARG A 36 7.444 -5.641 3.885 1.00 0.00 N ATOM 0 H ARG A 36 7.717 -4.739 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 36 6.428 -2.227 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.442 -3.646 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.238 -4.352 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.547 -6.162 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.809 -5.155 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.261 -5.389 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.283 -6.812 0.810 1.00 0.00 H new ATOM 0 HE ARG A 36 8.125 -4.791 1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.342 -3.681 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.532 -4.098 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.224 -6.254 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.150 -5.542 4.857 1.00 0.00 H new ATOM 582 N GLU A 37 9.039 -3.125 -0.478 1.00 0.00 N ATOM 583 CA GLU A 37 9.963 -2.694 0.615 1.00 0.00 C ATOM 584 C GLU A 37 10.807 -1.491 0.177 1.00 0.00 C ATOM 585 O GLU A 37 10.840 -0.476 0.847 1.00 0.00 O ATOM 586 CB GLU A 37 10.892 -3.858 0.972 1.00 0.00 C ATOM 587 CG GLU A 37 11.501 -3.631 2.366 1.00 0.00 C ATOM 588 CD GLU A 37 11.032 -4.727 3.324 1.00 0.00 C ATOM 589 OE1 GLU A 37 11.107 -5.885 2.950 1.00 0.00 O ATOM 590 OE2 GLU A 37 10.606 -4.390 4.417 1.00 0.00 O ATOM 0 H GLU A 37 9.394 -3.875 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 37 9.368 -2.403 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.337 -4.796 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.685 -3.944 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.589 -3.633 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.206 -2.653 2.746 1.00 0.00 H new ATOM 597 N ARG A 38 11.506 -1.603 -0.926 1.00 0.00 N ATOM 598 CA ARG A 38 12.368 -0.472 -1.391 1.00 0.00 C ATOM 599 C ARG A 38 11.506 0.684 -1.911 1.00 0.00 C ATOM 600 O ARG A 38 11.934 1.824 -1.931 1.00 0.00 O ATOM 601 CB ARG A 38 13.297 -0.965 -2.507 1.00 0.00 C ATOM 602 CG ARG A 38 14.691 -0.336 -2.344 1.00 0.00 C ATOM 603 CD ARG A 38 15.769 -1.428 -2.331 1.00 0.00 C ATOM 604 NE ARG A 38 16.748 -1.167 -3.423 1.00 0.00 N ATOM 605 CZ ARG A 38 16.402 -1.355 -4.667 1.00 0.00 C ATOM 606 NH1 ARG A 38 16.280 -2.568 -5.131 1.00 0.00 N ATOM 607 NH2 ARG A 38 16.174 -0.332 -5.444 1.00 0.00 N ATOM 0 H ARG A 38 11.517 -2.429 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 38 12.961 -0.112 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.373 -2.052 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.882 -0.703 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.880 0.362 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.733 0.237 -1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.277 -1.442 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.311 -2.408 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 38 17.688 -0.842 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.455 -3.367 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.010 -2.717 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.266 0.616 -5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.904 -0.480 -6.416 1.00 0.00 H new ATOM 621 N PHE A 39 10.298 0.404 -2.334 1.00 0.00 N ATOM 622 CA PHE A 39 9.406 1.486 -2.857 1.00 0.00 C ATOM 623 C PHE A 39 9.211 2.562 -1.774 1.00 0.00 C ATOM 624 O PHE A 39 9.337 3.743 -2.035 1.00 0.00 O ATOM 625 CB PHE A 39 8.051 0.860 -3.260 1.00 0.00 C ATOM 626 CG PHE A 39 6.976 1.918 -3.405 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.258 2.328 -2.277 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.703 2.485 -4.655 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.264 3.305 -2.397 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.709 3.463 -4.775 1.00 0.00 C ATOM 631 CZ PHE A 39 4.990 3.874 -3.646 1.00 0.00 C ATOM 0 H PHE A 39 9.890 -0.531 -2.340 1.00 0.00 H new ATOM 0 HA PHE A 39 9.855 1.959 -3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.163 0.321 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.747 0.131 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.471 1.890 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.258 2.168 -5.526 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.708 3.620 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.496 3.901 -5.739 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.224 4.630 -3.739 1.00 0.00 H new ATOM 641 N VAL A 40 8.892 2.156 -0.574 1.00 0.00 N ATOM 642 CA VAL A 40 8.673 3.143 0.524 1.00 0.00 C ATOM 643 C VAL A 40 9.947 3.967 0.749 1.00 0.00 C ATOM 644 O VAL A 40 9.893 5.168 0.911 1.00 0.00 O ATOM 645 CB VAL A 40 8.314 2.394 1.817 1.00 0.00 C ATOM 646 CG1 VAL A 40 8.042 3.395 2.951 1.00 0.00 C ATOM 647 CG2 VAL A 40 7.063 1.541 1.581 1.00 0.00 C ATOM 0 H VAL A 40 8.773 1.179 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 40 7.859 3.813 0.248 1.00 0.00 H new ATOM 0 HB VAL A 40 9.150 1.754 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.789 2.853 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.932 3.999 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.212 4.044 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.807 1.009 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.233 2.185 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.258 0.821 0.786 1.00 0.00 H new ATOM 657 N GLN A 41 11.084 3.322 0.779 1.00 0.00 N ATOM 658 CA GLN A 41 12.367 4.052 1.025 1.00 0.00 C ATOM 659 C GLN A 41 12.777 4.906 -0.183 1.00 0.00 C ATOM 660 O GLN A 41 13.661 5.739 -0.074 1.00 0.00 O ATOM 661 CB GLN A 41 13.474 3.038 1.316 1.00 0.00 C ATOM 662 CG GLN A 41 13.059 2.147 2.489 1.00 0.00 C ATOM 663 CD GLN A 41 14.285 1.408 3.026 1.00 0.00 C ATOM 664 OE1 GLN A 41 15.162 2.008 3.615 1.00 0.00 O ATOM 665 NE2 GLN A 41 14.385 0.118 2.846 1.00 0.00 N ATOM 0 H GLN A 41 11.181 2.316 0.643 1.00 0.00 H new ATOM 0 HA GLN A 41 12.218 4.717 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.664 2.428 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.403 3.557 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.611 2.751 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.302 1.432 2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.649 -0.387 2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.199 -0.385 3.200 1.00 0.00 H new ATOM 674 N GLU A 42 12.172 4.712 -1.332 1.00 0.00 N ATOM 675 CA GLU A 42 12.572 5.526 -2.523 1.00 0.00 C ATOM 676 C GLU A 42 11.346 6.110 -3.231 1.00 0.00 C ATOM 677 O GLU A 42 11.427 6.497 -4.381 1.00 0.00 O ATOM 678 CB GLU A 42 13.337 4.640 -3.508 1.00 0.00 C ATOM 679 CG GLU A 42 14.677 4.229 -2.895 1.00 0.00 C ATOM 680 CD GLU A 42 15.639 5.418 -2.922 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.238 5.648 -3.960 1.00 0.00 O ATOM 682 OE2 GLU A 42 15.763 6.080 -1.903 1.00 0.00 O ATOM 0 H GLU A 42 11.428 4.034 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 42 13.201 6.347 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.749 3.754 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.502 5.176 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.531 3.890 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.101 3.392 -3.450 1.00 0.00 H new ATOM 689 N VAL A 43 10.218 6.182 -2.566 1.00 0.00 N ATOM 690 CA VAL A 43 8.999 6.749 -3.231 1.00 0.00 C ATOM 691 C VAL A 43 8.041 7.366 -2.196 1.00 0.00 C ATOM 692 O VAL A 43 7.362 8.334 -2.488 1.00 0.00 O ATOM 693 CB VAL A 43 8.267 5.641 -4.009 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.089 6.246 -4.782 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.230 4.984 -5.002 1.00 0.00 C ATOM 0 H VAL A 43 10.087 5.877 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 43 9.320 7.533 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 43 7.901 4.894 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.572 5.459 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.397 6.714 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.459 6.995 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.708 4.200 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.598 5.734 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.071 4.550 -4.461 1.00 0.00 H new ATOM 705 N LEU A 44 7.954 6.812 -1.008 1.00 0.00 N ATOM 706 CA LEU A 44 7.012 7.370 0.010 1.00 0.00 C ATOM 707 C LEU A 44 7.391 8.815 0.391 1.00 0.00 C ATOM 708 O LEU A 44 6.544 9.686 0.357 1.00 0.00 O ATOM 709 CB LEU A 44 7.017 6.479 1.260 1.00 0.00 C ATOM 710 CG LEU A 44 5.887 6.892 2.216 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.530 6.826 1.503 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.869 5.938 3.411 1.00 0.00 C ATOM 0 H LEU A 44 8.493 6.002 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 44 6.012 7.389 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.894 5.435 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.979 6.558 1.767 1.00 0.00 H new ATOM 0 HG LEU A 44 6.063 7.915 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.741 7.122 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.535 7.502 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.349 5.808 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.069 6.225 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.699 4.920 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.826 5.988 3.931 1.00 0.00 H new ATOM 724 N PRO A 45 8.640 9.033 0.755 1.00 0.00 N ATOM 725 CA PRO A 45 9.024 10.418 1.141 1.00 0.00 C ATOM 726 C PRO A 45 9.004 11.345 -0.078 1.00 0.00 C ATOM 727 O PRO A 45 8.806 12.539 0.044 1.00 0.00 O ATOM 728 CB PRO A 45 10.444 10.294 1.692 1.00 0.00 C ATOM 729 CG PRO A 45 11.027 9.009 1.082 1.00 0.00 C ATOM 730 CD PRO A 45 9.829 8.145 0.657 1.00 0.00 C ATOM 0 HA PRO A 45 8.334 10.844 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.045 11.162 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.436 10.240 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.662 9.239 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.647 8.482 1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.956 7.771 -0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.723 7.275 1.306 1.00 0.00 H new ATOM 738 N LYS A 46 9.221 10.804 -1.248 1.00 0.00 N ATOM 739 CA LYS A 46 9.231 11.641 -2.482 1.00 0.00 C ATOM 740 C LYS A 46 7.851 12.269 -2.731 1.00 0.00 C ATOM 741 O LYS A 46 7.726 13.192 -3.514 1.00 0.00 O ATOM 742 CB LYS A 46 9.615 10.757 -3.676 1.00 0.00 C ATOM 743 CG LYS A 46 11.078 11.003 -4.048 1.00 0.00 C ATOM 744 CD LYS A 46 11.216 12.393 -4.671 1.00 0.00 C ATOM 745 CE LYS A 46 12.660 12.610 -5.124 1.00 0.00 C ATOM 746 NZ LYS A 46 13.469 13.113 -3.979 1.00 0.00 N ATOM 0 H LYS A 46 9.393 9.810 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 46 9.955 12.447 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.464 9.707 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.971 10.978 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.708 10.925 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.419 10.242 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.539 12.491 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.932 13.157 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.080 11.676 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.691 13.324 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.451 13.261 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.072 14.014 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.449 12.416 -3.207 1.00 0.00 H new ATOM 760 N TYR A 47 6.815 11.775 -2.092 1.00 0.00 N ATOM 761 CA TYR A 47 5.453 12.350 -2.323 1.00 0.00 C ATOM 762 C TYR A 47 4.816 12.823 -1.008 1.00 0.00 C ATOM 763 O TYR A 47 3.822 13.525 -1.024 1.00 0.00 O ATOM 764 CB TYR A 47 4.558 11.284 -2.957 1.00 0.00 C ATOM 765 CG TYR A 47 4.934 11.108 -4.408 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.168 10.541 -4.748 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.050 11.514 -5.414 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.518 10.380 -6.094 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.400 11.354 -6.761 1.00 0.00 C ATOM 770 CZ TYR A 47 5.634 10.787 -7.100 1.00 0.00 C ATOM 771 OH TYR A 47 5.980 10.632 -8.427 1.00 0.00 O ATOM 0 H TYR A 47 6.855 11.004 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 47 5.553 13.210 -2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.667 10.339 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.511 11.577 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.850 10.228 -3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.098 11.951 -5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.470 9.942 -6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.718 11.668 -7.537 1.00 0.00 H new ATOM 0 HH TYR A 47 5.254 10.964 -8.995 1.00 0.00 H new ATOM 781 N PHE A 48 5.360 12.447 0.127 1.00 0.00 N ATOM 782 CA PHE A 48 4.752 12.884 1.423 1.00 0.00 C ATOM 783 C PHE A 48 5.846 13.349 2.386 1.00 0.00 C ATOM 784 O PHE A 48 7.010 13.406 2.039 1.00 0.00 O ATOM 785 CB PHE A 48 3.982 11.717 2.046 1.00 0.00 C ATOM 786 CG PHE A 48 2.992 11.176 1.039 1.00 0.00 C ATOM 787 CD1 PHE A 48 1.726 11.765 0.909 1.00 0.00 C ATOM 788 CD2 PHE A 48 3.346 10.092 0.227 1.00 0.00 C ATOM 789 CE1 PHE A 48 0.816 11.268 -0.033 1.00 0.00 C ATOM 790 CE2 PHE A 48 2.436 9.596 -0.713 1.00 0.00 C ATOM 791 CZ PHE A 48 1.174 10.185 -0.844 1.00 0.00 C ATOM 0 H PHE A 48 6.191 11.862 0.211 1.00 0.00 H new ATOM 0 HA PHE A 48 4.069 13.713 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.674 10.932 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.460 12.049 2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.453 12.602 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.321 9.639 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.160 11.720 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.708 8.758 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.474 9.803 -1.573 1.00 0.00 H new ATOM 801 N LYS A 49 5.473 13.684 3.594 1.00 0.00 N ATOM 802 CA LYS A 49 6.475 14.151 4.595 1.00 0.00 C ATOM 803 C LYS A 49 6.218 13.458 5.935 1.00 0.00 C ATOM 804 O LYS A 49 7.053 12.729 6.437 1.00 0.00 O ATOM 805 CB LYS A 49 6.349 15.667 4.771 1.00 0.00 C ATOM 806 CG LYS A 49 7.366 16.376 3.874 1.00 0.00 C ATOM 807 CD LYS A 49 7.723 17.735 4.480 1.00 0.00 C ATOM 808 CE LYS A 49 8.970 17.594 5.358 1.00 0.00 C ATOM 809 NZ LYS A 49 8.865 18.509 6.531 1.00 0.00 N ATOM 0 H LYS A 49 4.511 13.653 3.931 1.00 0.00 H new ATOM 0 HA LYS A 49 7.479 13.907 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.339 15.990 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.518 15.937 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.263 15.765 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.954 16.509 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.904 18.462 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.889 18.111 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.073 16.563 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.863 17.830 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.713 18.411 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.787 19.491 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.022 18.264 7.088 1.00 0.00 H new ATOM 823 N HIS A 50 5.067 13.684 6.515 1.00 0.00 N ATOM 824 CA HIS A 50 4.744 13.046 7.825 1.00 0.00 C ATOM 825 C HIS A 50 3.786 11.875 7.605 1.00 0.00 C ATOM 826 O HIS A 50 2.987 11.548 8.464 1.00 0.00 O ATOM 827 CB HIS A 50 4.085 14.078 8.745 1.00 0.00 C ATOM 828 CG HIS A 50 5.102 15.103 9.178 1.00 0.00 C ATOM 829 ND1 HIS A 50 4.773 16.161 10.010 1.00 0.00 N ATOM 830 CD2 HIS A 50 6.443 15.243 8.908 1.00 0.00 C ATOM 831 CE1 HIS A 50 5.891 16.882 10.213 1.00 0.00 C ATOM 832 NE2 HIS A 50 6.939 16.367 9.563 1.00 0.00 N ATOM 0 H HIS A 50 4.335 14.285 6.136 1.00 0.00 H new ATOM 0 HA HIS A 50 5.662 12.680 8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.261 14.567 8.226 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.662 13.582 9.618 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.024 14.581 8.282 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.936 17.769 10.827 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.896 16.721 9.550 1.00 0.00 H new ATOM 840 N SER A 51 3.860 11.239 6.463 1.00 0.00 N ATOM 841 CA SER A 51 2.957 10.085 6.182 1.00 0.00 C ATOM 842 C SER A 51 3.770 8.790 6.204 1.00 0.00 C ATOM 843 O SER A 51 4.984 8.812 6.115 1.00 0.00 O ATOM 844 CB SER A 51 2.311 10.267 4.811 1.00 0.00 C ATOM 845 OG SER A 51 1.565 11.476 4.804 1.00 0.00 O ATOM 0 H SER A 51 4.510 11.471 5.712 1.00 0.00 H new ATOM 0 HA SER A 51 2.177 10.035 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.076 10.293 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.660 9.422 4.587 1.00 0.00 H new ATOM 0 HG SER A 51 1.149 11.599 3.925 1.00 0.00 H new ATOM 851 N ASN A 52 3.111 7.663 6.326 1.00 0.00 N ATOM 852 CA ASN A 52 3.847 6.364 6.364 1.00 0.00 C ATOM 853 C ASN A 52 3.170 5.349 5.436 1.00 0.00 C ATOM 854 O ASN A 52 2.035 5.519 5.025 1.00 0.00 O ATOM 855 CB ASN A 52 3.846 5.825 7.801 1.00 0.00 C ATOM 856 CG ASN A 52 5.210 6.080 8.448 1.00 0.00 C ATOM 857 OD1 ASN A 52 5.413 7.095 9.086 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.158 5.194 8.311 1.00 0.00 N ATOM 0 H ASN A 52 2.096 7.588 6.401 1.00 0.00 H new ATOM 0 HA ASN A 52 4.872 6.521 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.061 6.310 8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.627 4.757 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.070 5.353 8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.987 4.343 7.776 1.00 0.00 H new ATOM 865 N PHE A 53 3.864 4.284 5.110 1.00 0.00 N ATOM 866 CA PHE A 53 3.285 3.234 4.219 1.00 0.00 C ATOM 867 C PHE A 53 1.995 2.692 4.837 1.00 0.00 C ATOM 868 O PHE A 53 1.047 2.375 4.144 1.00 0.00 O ATOM 869 CB PHE A 53 4.294 2.093 4.081 1.00 0.00 C ATOM 870 CG PHE A 53 3.915 1.205 2.920 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.705 1.757 1.650 1.00 0.00 C ATOM 872 CD2 PHE A 53 3.780 -0.175 3.113 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.358 0.929 0.575 1.00 0.00 C ATOM 874 CE2 PHE A 53 3.433 -1.003 2.040 1.00 0.00 C ATOM 875 CZ PHE A 53 3.224 -0.451 0.769 1.00 0.00 C ATOM 0 H PHE A 53 4.815 4.098 5.427 1.00 0.00 H new ATOM 0 HA PHE A 53 3.066 3.661 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.294 2.498 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.323 1.509 5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.811 2.821 1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.944 -0.601 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.194 1.355 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.326 -2.067 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.960 -1.090 -0.061 1.00 0.00 H new ATOM 885 N ALA A 54 1.958 2.589 6.140 1.00 0.00 N ATOM 886 CA ALA A 54 0.737 2.071 6.830 1.00 0.00 C ATOM 887 C ALA A 54 -0.470 2.948 6.478 1.00 0.00 C ATOM 888 O ALA A 54 -1.570 2.461 6.304 1.00 0.00 O ATOM 889 CB ALA A 54 0.963 2.095 8.344 1.00 0.00 C ATOM 0 H ALA A 54 2.726 2.843 6.761 1.00 0.00 H new ATOM 0 HA ALA A 54 0.543 1.049 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.075 1.718 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.818 1.467 8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.158 3.118 8.667 1.00 0.00 H new ATOM 895 N SER A 55 -0.266 4.237 6.367 1.00 0.00 N ATOM 896 CA SER A 55 -1.393 5.153 6.022 1.00 0.00 C ATOM 897 C SER A 55 -1.786 4.940 4.558 1.00 0.00 C ATOM 898 O SER A 55 -2.942 5.042 4.193 1.00 0.00 O ATOM 899 CB SER A 55 -0.955 6.605 6.226 1.00 0.00 C ATOM 900 OG SER A 55 -0.102 6.683 7.361 1.00 0.00 O ATOM 0 H SER A 55 0.636 4.694 6.501 1.00 0.00 H new ATOM 0 HA SER A 55 -2.246 4.940 6.666 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.434 6.968 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.827 7.244 6.367 1.00 0.00 H new ATOM 0 HG SER A 55 0.182 7.612 7.494 1.00 0.00 H new ATOM 906 N PHE A 56 -0.826 4.649 3.720 1.00 0.00 N ATOM 907 CA PHE A 56 -1.128 4.427 2.275 1.00 0.00 C ATOM 908 C PHE A 56 -1.995 3.170 2.117 1.00 0.00 C ATOM 909 O PHE A 56 -2.817 3.080 1.222 1.00 0.00 O ATOM 910 CB PHE A 56 0.198 4.254 1.513 1.00 0.00 C ATOM 911 CG PHE A 56 -0.041 4.002 0.033 1.00 0.00 C ATOM 912 CD1 PHE A 56 -1.088 4.646 -0.648 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.801 3.123 -0.660 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.291 4.405 -2.012 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.598 2.884 -2.025 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.447 3.525 -2.701 1.00 0.00 C ATOM 0 H PHE A 56 0.157 4.555 3.975 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.672 5.281 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.810 5.147 1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.758 3.422 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.737 5.328 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.609 2.628 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.099 4.898 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.248 2.205 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.602 3.341 -3.754 1.00 0.00 H new ATOM 926 N VAL A 57 -1.811 2.200 2.977 1.00 0.00 N ATOM 927 CA VAL A 57 -2.609 0.940 2.879 1.00 0.00 C ATOM 928 C VAL A 57 -4.035 1.165 3.398 1.00 0.00 C ATOM 929 O VAL A 57 -4.999 0.873 2.713 1.00 0.00 O ATOM 930 CB VAL A 57 -1.933 -0.156 3.709 1.00 0.00 C ATOM 931 CG1 VAL A 57 -2.655 -1.489 3.488 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.468 -0.293 3.280 1.00 0.00 C ATOM 0 H VAL A 57 -1.140 2.227 3.745 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.659 0.637 1.833 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.980 0.111 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.172 -2.267 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.697 -1.394 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.611 -1.756 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.013 -1.073 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.421 -0.557 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.048 0.654 3.440 1.00 0.00 H new ATOM 942 N ARG A 58 -4.183 1.665 4.603 1.00 0.00 N ATOM 943 CA ARG A 58 -5.554 1.889 5.165 1.00 0.00 C ATOM 944 C ARG A 58 -6.365 2.800 4.233 1.00 0.00 C ATOM 945 O ARG A 58 -7.579 2.726 4.187 1.00 0.00 O ATOM 946 CB ARG A 58 -5.454 2.516 6.567 1.00 0.00 C ATOM 947 CG ARG A 58 -4.805 3.908 6.489 1.00 0.00 C ATOM 948 CD ARG A 58 -5.843 4.985 6.825 1.00 0.00 C ATOM 949 NE ARG A 58 -5.743 5.341 8.269 1.00 0.00 N ATOM 950 CZ ARG A 58 -5.684 6.593 8.630 1.00 0.00 C ATOM 951 NH1 ARG A 58 -4.528 7.192 8.717 1.00 0.00 N ATOM 952 NH2 ARG A 58 -6.780 7.245 8.908 1.00 0.00 N ATOM 0 H ARG A 58 -3.415 1.927 5.221 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.063 0.929 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.448 2.596 7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.866 1.870 7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.967 3.968 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.403 4.076 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.677 5.869 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.845 4.622 6.598 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.721 4.605 8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.672 6.681 8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.481 8.171 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.683 6.775 8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.733 8.224 9.190 1.00 0.00 H new ATOM 966 N GLN A 59 -5.704 3.650 3.484 1.00 0.00 N ATOM 967 CA GLN A 59 -6.438 4.555 2.550 1.00 0.00 C ATOM 968 C GLN A 59 -6.945 3.746 1.352 1.00 0.00 C ATOM 969 O GLN A 59 -8.090 3.853 0.960 1.00 0.00 O ATOM 970 CB GLN A 59 -5.504 5.659 2.050 1.00 0.00 C ATOM 971 CG GLN A 59 -5.270 6.685 3.161 1.00 0.00 C ATOM 972 CD GLN A 59 -6.544 7.504 3.376 1.00 0.00 C ATOM 973 OE1 GLN A 59 -7.312 7.707 2.457 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.802 7.989 4.560 1.00 0.00 N ATOM 0 H GLN A 59 -4.689 3.755 3.481 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.279 5.005 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.554 5.228 1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.938 6.147 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.990 6.179 4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.443 7.343 2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.158 7.819 5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.648 8.538 4.713 1.00 0.00 H new ATOM 983 N LEU A 60 -6.092 2.937 0.769 1.00 0.00 N ATOM 984 CA LEU A 60 -6.507 2.116 -0.412 1.00 0.00 C ATOM 985 C LEU A 60 -7.715 1.240 -0.055 1.00 0.00 C ATOM 986 O LEU A 60 -8.543 0.940 -0.895 1.00 0.00 O ATOM 987 CB LEU A 60 -5.341 1.216 -0.829 1.00 0.00 C ATOM 988 CG LEU A 60 -4.242 2.061 -1.478 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.949 1.245 -1.548 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.672 2.453 -2.894 1.00 0.00 C ATOM 0 H LEU A 60 -5.123 2.810 1.062 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.782 2.782 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.944 0.692 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.688 0.455 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.075 2.960 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.165 1.845 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.643 0.961 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.117 0.347 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.891 3.055 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.837 1.553 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.595 3.031 -2.847 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.813 0.822 1.179 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.957 -0.043 1.594 1.00 0.00 C ATOM 1004 C ASN A 61 -10.220 0.807 1.775 1.00 0.00 C ATOM 1005 O ASN A 61 -11.297 0.424 1.358 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.609 -0.736 2.921 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.401 -2.235 2.688 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -9.351 -2.988 2.613 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -7.189 -2.703 2.567 1.00 0.00 N ATOM 0 H ASN A 61 -7.148 1.043 1.920 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.142 -0.791 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.706 -0.296 3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.410 -0.579 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.041 -3.700 2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.390 -2.072 2.630 1.00 0.00 H new ATOM 1016 N MET A 62 -10.098 1.946 2.406 1.00 0.00 N ATOM 1017 CA MET A 62 -11.291 2.816 2.635 1.00 0.00 C ATOM 1018 C MET A 62 -11.860 3.326 1.304 1.00 0.00 C ATOM 1019 O MET A 62 -12.991 3.772 1.247 1.00 0.00 O ATOM 1020 CB MET A 62 -10.890 4.015 3.498 1.00 0.00 C ATOM 1021 CG MET A 62 -12.060 4.405 4.405 1.00 0.00 C ATOM 1022 SD MET A 62 -12.039 6.191 4.696 1.00 0.00 S ATOM 1023 CE MET A 62 -13.799 6.493 4.391 1.00 0.00 C ATOM 0 H MET A 62 -9.220 2.313 2.774 1.00 0.00 H new ATOM 0 HA MET A 62 -12.055 2.225 3.141 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.016 3.767 4.100 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.612 4.856 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.003 4.113 3.943 1.00 0.00 H new ATOM 0 HG3 MET A 62 -11.991 3.872 5.353 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.013 7.554 4.518 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.049 6.192 3.374 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.395 5.915 5.097 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.091 3.283 0.242 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.602 3.786 -1.069 1.00 0.00 C ATOM 1035 C TYR A 63 -12.223 2.642 -1.875 1.00 0.00 C ATOM 1036 O TYR A 63 -13.289 2.790 -2.446 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.451 4.415 -1.857 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.208 5.814 -1.344 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.228 6.771 -1.417 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.971 6.153 -0.787 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.008 8.067 -0.937 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.751 7.448 -0.304 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.770 8.406 -0.380 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.554 9.681 0.099 1.00 0.00 O ATOM 0 H TYR A 63 -10.137 2.923 0.228 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.371 4.537 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.549 3.813 -1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.693 4.441 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.185 6.509 -1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.185 5.415 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.794 8.806 -0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.796 7.709 0.127 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.751 9.688 0.660 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.573 1.506 -1.928 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.137 0.358 -2.702 1.00 0.00 C ATOM 1056 C GLY A 64 -11.020 -0.605 -3.116 1.00 0.00 C ATOM 1057 O GLY A 64 -11.260 -1.771 -3.362 1.00 0.00 O ATOM 0 H GLY A 64 -10.680 1.324 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.875 -0.169 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.655 0.727 -3.587 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.800 -0.128 -3.202 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.665 -1.016 -3.607 1.00 0.00 C ATOM 1063 C TRP A 65 -8.576 -2.213 -2.655 1.00 0.00 C ATOM 1064 O TRP A 65 -8.128 -2.093 -1.530 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.359 -0.220 -3.560 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.349 0.783 -4.670 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.683 2.087 -4.541 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -6.995 0.587 -6.071 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.556 2.704 -5.772 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.135 1.823 -6.746 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.570 -0.529 -6.814 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.866 1.947 -8.108 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.296 -0.408 -8.187 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.444 0.828 -8.832 1.00 0.00 C ATOM 0 H TRP A 65 -9.542 0.840 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.833 -1.381 -4.620 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.262 0.284 -2.598 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.507 -0.893 -3.655 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.997 2.568 -3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.750 3.691 -5.939 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.453 -1.485 -6.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.983 2.901 -8.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.970 -1.271 -8.748 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.232 0.916 -9.887 1.00 0.00 H new ATOM 1085 N HIS A 66 -9.008 -3.366 -3.102 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.962 -4.580 -2.235 1.00 0.00 C ATOM 1087 C HIS A 66 -7.744 -5.431 -2.601 1.00 0.00 C ATOM 1088 O HIS A 66 -7.479 -5.682 -3.762 1.00 0.00 O ATOM 1089 CB HIS A 66 -10.236 -5.401 -2.450 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.428 -4.615 -1.978 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.462 -3.995 -0.738 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -12.636 -4.340 -2.567 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.655 -3.382 -0.625 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -13.409 -3.562 -1.712 1.00 0.00 N ATOM 0 H HIS A 66 -9.392 -3.518 -4.035 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.889 -4.277 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.347 -5.650 -3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.170 -6.343 -1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.941 -4.677 -3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.965 -2.814 0.240 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.350 -3.205 -1.879 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.007 -5.881 -1.618 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.805 -6.722 -1.898 1.00 0.00 C ATOM 1104 C LYS A 67 -6.246 -8.160 -2.185 1.00 0.00 C ATOM 1105 O LYS A 67 -7.378 -8.531 -1.940 1.00 0.00 O ATOM 1106 CB LYS A 67 -4.871 -6.706 -0.684 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.323 -5.290 -0.471 1.00 0.00 C ATOM 1108 CD LYS A 67 -5.092 -4.600 0.658 1.00 0.00 C ATOM 1109 CE LYS A 67 -4.278 -3.412 1.175 1.00 0.00 C ATOM 1110 NZ LYS A 67 -4.609 -2.197 0.377 1.00 0.00 N ATOM 0 H LYS A 67 -7.187 -5.701 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.277 -6.323 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.409 -7.035 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.049 -7.405 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.262 -5.334 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.414 -4.713 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.063 -4.260 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.282 -5.305 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.497 -3.239 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.212 -3.629 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.056 -1.390 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.379 -2.365 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.624 -1.987 0.468 1.00 0.00 H new ATOM 1124 N VAL A 68 -5.356 -8.970 -2.703 1.00 0.00 N ATOM 1125 CA VAL A 68 -5.714 -10.388 -3.010 1.00 0.00 C ATOM 1126 C VAL A 68 -4.659 -11.320 -2.412 1.00 0.00 C ATOM 1127 O VAL A 68 -3.474 -11.151 -2.631 1.00 0.00 O ATOM 1128 CB VAL A 68 -5.778 -10.587 -4.529 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -6.903 -9.729 -5.112 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -4.448 -10.174 -5.165 1.00 0.00 C ATOM 0 H VAL A 68 -4.396 -8.709 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.688 -10.618 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.970 -11.639 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.947 -9.872 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.853 -10.025 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.711 -8.679 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.501 -10.318 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.252 -9.124 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.644 -10.786 -4.756 1.00 0.00 H new ATOM 1140 N GLN A 69 -5.082 -12.302 -1.654 1.00 0.00 N ATOM 1141 CA GLN A 69 -4.107 -13.247 -1.033 1.00 0.00 C ATOM 1142 C GLN A 69 -3.963 -14.496 -1.913 1.00 0.00 C ATOM 1143 O GLN A 69 -3.993 -15.613 -1.430 1.00 0.00 O ATOM 1144 CB GLN A 69 -4.585 -13.639 0.375 1.00 0.00 C ATOM 1145 CG GLN A 69 -5.911 -14.410 0.306 1.00 0.00 C ATOM 1146 CD GLN A 69 -6.665 -14.242 1.626 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -6.439 -14.976 2.567 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -7.558 -13.298 1.736 1.00 0.00 N ATOM 0 H GLN A 69 -6.062 -12.489 -1.439 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.135 -12.760 -0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.828 -14.252 0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.711 -12.744 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.517 -14.040 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.721 -15.466 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.748 -12.681 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.066 -13.176 2.612 1.00 0.00 H new ATOM 1157 N ASP A 70 -3.798 -14.311 -3.198 1.00 0.00 N ATOM 1158 CA ASP A 70 -3.643 -15.476 -4.123 1.00 0.00 C ATOM 1159 C ASP A 70 -4.884 -16.373 -4.046 1.00 0.00 C ATOM 1160 O ASP A 70 -4.830 -17.485 -3.548 1.00 0.00 O ATOM 1161 CB ASP A 70 -2.398 -16.280 -3.727 1.00 0.00 C ATOM 1162 CG ASP A 70 -1.780 -16.911 -4.976 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -1.411 -16.168 -5.871 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -1.684 -18.126 -5.016 1.00 0.00 O ATOM 0 H ASP A 70 -3.764 -13.397 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.531 -15.112 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.672 -15.630 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.666 -17.055 -3.009 1.00 0.00 H new ATOM 1169 N VAL A 71 -6.001 -15.903 -4.544 1.00 0.00 N ATOM 1170 CA VAL A 71 -7.243 -16.730 -4.508 1.00 0.00 C ATOM 1171 C VAL A 71 -7.750 -16.942 -5.938 1.00 0.00 C ATOM 1172 O VAL A 71 -8.784 -16.431 -6.326 1.00 0.00 O ATOM 1173 CB VAL A 71 -8.314 -16.026 -3.670 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -7.882 -16.014 -2.202 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -8.492 -14.585 -4.160 1.00 0.00 C ATOM 0 H VAL A 71 -6.105 -14.983 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.024 -17.697 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.259 -16.559 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.643 -15.513 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.759 -17.038 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.936 -15.482 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.255 -14.089 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.548 -14.048 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.800 -14.592 -5.206 1.00 0.00 H new ATOM 1185 N LYS A 72 -7.022 -17.698 -6.722 1.00 0.00 N ATOM 1186 CA LYS A 72 -7.445 -17.959 -8.128 1.00 0.00 C ATOM 1187 C LYS A 72 -7.787 -19.443 -8.288 1.00 0.00 C ATOM 1188 O LYS A 72 -8.929 -19.804 -8.503 1.00 0.00 O ATOM 1189 CB LYS A 72 -6.306 -17.594 -9.082 1.00 0.00 C ATOM 1190 CG LYS A 72 -5.916 -16.125 -8.887 1.00 0.00 C ATOM 1191 CD LYS A 72 -4.416 -15.946 -9.169 1.00 0.00 C ATOM 1192 CE LYS A 72 -4.205 -14.772 -10.127 1.00 0.00 C ATOM 1193 NZ LYS A 72 -4.346 -13.489 -9.381 1.00 0.00 N ATOM 0 H LYS A 72 -6.149 -18.147 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.321 -17.354 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.445 -18.236 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.615 -17.764 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.500 -15.492 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.145 -15.810 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.880 -15.767 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.007 -16.859 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.216 -14.833 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.932 -14.815 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.203 -12.691 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.298 -13.431 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.636 -13.449 -8.622 1.00 0.00 H new ATOM 1207 N SER A 73 -6.805 -20.304 -8.182 1.00 0.00 N ATOM 1208 CA SER A 73 -7.067 -21.768 -8.325 1.00 0.00 C ATOM 1209 C SER A 73 -7.909 -22.251 -7.142 1.00 0.00 C ATOM 1210 O SER A 73 -8.862 -22.988 -7.310 1.00 0.00 O ATOM 1211 CB SER A 73 -5.740 -22.527 -8.349 1.00 0.00 C ATOM 1212 OG SER A 73 -5.994 -23.910 -8.559 1.00 0.00 O ATOM 0 H SER A 73 -5.832 -20.055 -8.002 1.00 0.00 H new ATOM 0 HA SER A 73 -7.605 -21.951 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.100 -22.139 -9.141 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.208 -22.382 -7.409 1.00 0.00 H new ATOM 0 HG SER A 73 -5.145 -24.400 -8.576 1.00 0.00 H new ATOM 1218 N GLY A 74 -7.569 -21.833 -5.949 1.00 0.00 N ATOM 1219 CA GLY A 74 -8.350 -22.257 -4.750 1.00 0.00 C ATOM 1220 C GLY A 74 -7.471 -23.103 -3.827 1.00 0.00 C ATOM 1221 O GLY A 74 -7.945 -24.017 -3.177 1.00 0.00 O ATOM 0 H GLY A 74 -6.782 -21.215 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.716 -21.381 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.224 -22.830 -5.059 1.00 0.00 H new ATOM 1225 N SER A 75 -6.197 -22.806 -3.760 1.00 0.00 N ATOM 1226 CA SER A 75 -5.289 -23.591 -2.874 1.00 0.00 C ATOM 1227 C SER A 75 -4.333 -22.626 -2.133 1.00 0.00 C ATOM 1228 O SER A 75 -4.751 -21.939 -1.219 1.00 0.00 O ATOM 1229 CB SER A 75 -4.517 -24.614 -3.718 1.00 0.00 C ATOM 1230 OG SER A 75 -5.430 -25.551 -4.273 1.00 0.00 O ATOM 0 H SER A 75 -5.748 -22.053 -4.282 1.00 0.00 H new ATOM 0 HA SER A 75 -5.866 -24.135 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.970 -24.108 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.780 -25.129 -3.102 1.00 0.00 H new ATOM 0 HG SER A 75 -4.940 -26.205 -4.814 1.00 0.00 H new ATOM 1236 N MET A 76 -3.064 -22.555 -2.504 1.00 0.00 N ATOM 1237 CA MET A 76 -2.117 -21.628 -1.803 1.00 0.00 C ATOM 1238 C MET A 76 -0.698 -21.841 -2.345 1.00 0.00 C ATOM 1239 O MET A 76 -0.067 -22.843 -2.072 1.00 0.00 O ATOM 1240 CB MET A 76 -2.124 -21.914 -0.289 1.00 0.00 C ATOM 1241 CG MET A 76 -2.227 -20.597 0.483 1.00 0.00 C ATOM 1242 SD MET A 76 -0.682 -19.671 0.301 1.00 0.00 S ATOM 1243 CE MET A 76 -0.726 -18.843 1.910 1.00 0.00 C ATOM 0 H MET A 76 -2.651 -23.100 -3.261 1.00 0.00 H new ATOM 0 HA MET A 76 -2.432 -20.600 -1.979 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.963 -22.562 -0.035 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.215 -22.443 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.064 -20.007 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.423 -20.795 1.537 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.152 -18.206 2.015 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.627 -18.234 1.981 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.729 -19.590 2.704 1.00 0.00 H new ATOM 1253 N LEU A 77 -0.193 -20.899 -3.102 1.00 0.00 N ATOM 1254 CA LEU A 77 1.189 -21.036 -3.652 1.00 0.00 C ATOM 1255 C LEU A 77 2.197 -20.610 -2.582 1.00 0.00 C ATOM 1256 O LEU A 77 1.861 -19.891 -1.660 1.00 0.00 O ATOM 1257 CB LEU A 77 1.342 -20.136 -4.880 1.00 0.00 C ATOM 1258 CG LEU A 77 0.983 -20.920 -6.142 1.00 0.00 C ATOM 1259 CD1 LEU A 77 -0.531 -20.880 -6.354 1.00 0.00 C ATOM 1260 CD2 LEU A 77 1.681 -20.287 -7.347 1.00 0.00 C ATOM 0 H LEU A 77 -0.679 -20.041 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 77 1.369 -22.072 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.695 -19.264 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.366 -19.768 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 77 1.308 -21.955 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.787 -21.439 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.031 -21.327 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.856 -19.845 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.427 -20.844 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.354 -19.253 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.760 -20.312 -7.197 1.00 0.00 H new ATOM 1272 N SER A 78 3.430 -21.044 -2.695 1.00 0.00 N ATOM 1273 CA SER A 78 4.457 -20.660 -1.681 1.00 0.00 C ATOM 1274 C SER A 78 5.214 -19.412 -2.159 1.00 0.00 C ATOM 1275 O SER A 78 4.853 -18.300 -1.821 1.00 0.00 O ATOM 1276 CB SER A 78 5.431 -21.825 -1.469 1.00 0.00 C ATOM 1277 OG SER A 78 4.751 -22.896 -0.829 1.00 0.00 O ATOM 0 H SER A 78 3.767 -21.647 -3.446 1.00 0.00 H new ATOM 0 HA SER A 78 3.967 -20.433 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.834 -22.156 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.276 -21.501 -0.862 1.00 0.00 H new ATOM 0 HG SER A 78 5.371 -23.643 -0.694 1.00 0.00 H new ATOM 1283 N ASN A 79 6.259 -19.577 -2.943 1.00 0.00 N ATOM 1284 CA ASN A 79 7.033 -18.395 -3.443 1.00 0.00 C ATOM 1285 C ASN A 79 7.482 -17.524 -2.263 1.00 0.00 C ATOM 1286 O ASN A 79 7.198 -17.822 -1.118 1.00 0.00 O ATOM 1287 CB ASN A 79 6.147 -17.569 -4.378 1.00 0.00 C ATOM 1288 CG ASN A 79 7.000 -16.973 -5.500 1.00 0.00 C ATOM 1289 OD1 ASN A 79 7.544 -17.695 -6.313 1.00 0.00 O ATOM 1290 ND2 ASN A 79 7.144 -15.678 -5.578 1.00 0.00 N ATOM 0 H ASN A 79 6.608 -20.483 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 79 7.913 -18.745 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.361 -18.196 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.655 -16.773 -3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.713 -15.272 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.688 -15.072 -4.896 1.00 0.00 H new ATOM 1297 N ASN A 80 8.172 -16.447 -2.540 1.00 0.00 N ATOM 1298 CA ASN A 80 8.635 -15.546 -1.443 1.00 0.00 C ATOM 1299 C ASN A 80 7.591 -14.450 -1.228 1.00 0.00 C ATOM 1300 O ASN A 80 6.700 -14.267 -2.037 1.00 0.00 O ATOM 1301 CB ASN A 80 9.972 -14.911 -1.832 1.00 0.00 C ATOM 1302 CG ASN A 80 11.116 -15.848 -1.438 1.00 0.00 C ATOM 1303 OD1 ASN A 80 11.103 -16.424 -0.367 1.00 0.00 O ATOM 1304 ND2 ASN A 80 12.110 -16.029 -2.263 1.00 0.00 N ATOM 0 H ASN A 80 8.435 -16.153 -3.481 1.00 0.00 H new ATOM 0 HA ASN A 80 8.764 -16.118 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.997 -14.720 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.088 -13.948 -1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.876 -16.653 -2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.121 -15.546 -3.161 1.00 0.00 H new ATOM 1311 N ASP A 81 7.691 -13.720 -0.146 1.00 0.00 N ATOM 1312 CA ASP A 81 6.701 -12.633 0.120 1.00 0.00 C ATOM 1313 C ASP A 81 7.234 -11.307 -0.431 1.00 0.00 C ATOM 1314 O ASP A 81 7.861 -10.539 0.273 1.00 0.00 O ATOM 1315 CB ASP A 81 6.458 -12.505 1.629 1.00 0.00 C ATOM 1316 CG ASP A 81 7.793 -12.372 2.365 1.00 0.00 C ATOM 1317 OD1 ASP A 81 8.385 -13.396 2.665 1.00 0.00 O ATOM 1318 OD2 ASP A 81 8.198 -11.251 2.622 1.00 0.00 O ATOM 0 H ASP A 81 8.415 -13.830 0.564 1.00 0.00 H new ATOM 0 HA ASP A 81 5.760 -12.878 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.833 -11.635 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.918 -13.378 1.994 1.00 0.00 H new ATOM 1323 N SER A 82 6.988 -11.036 -1.690 1.00 0.00 N ATOM 1324 CA SER A 82 7.475 -9.763 -2.298 1.00 0.00 C ATOM 1325 C SER A 82 6.686 -9.475 -3.580 1.00 0.00 C ATOM 1326 O SER A 82 7.252 -9.174 -4.616 1.00 0.00 O ATOM 1327 CB SER A 82 8.966 -9.894 -2.623 1.00 0.00 C ATOM 1328 OG SER A 82 9.158 -10.983 -3.516 1.00 0.00 O ATOM 0 H SER A 82 6.469 -11.645 -2.323 1.00 0.00 H new ATOM 0 HA SER A 82 7.330 -8.942 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.335 -8.972 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.537 -10.054 -1.708 1.00 0.00 H new ATOM 0 HG SER A 82 10.111 -11.069 -3.727 1.00 0.00 H new ATOM 1334 N ARG A 83 5.381 -9.566 -3.516 1.00 0.00 N ATOM 1335 CA ARG A 83 4.547 -9.301 -4.720 1.00 0.00 C ATOM 1336 C ARG A 83 3.106 -9.002 -4.295 1.00 0.00 C ATOM 1337 O ARG A 83 2.319 -9.902 -4.070 1.00 0.00 O ATOM 1338 CB ARG A 83 4.566 -10.535 -5.627 1.00 0.00 C ATOM 1339 CG ARG A 83 3.859 -10.217 -6.950 1.00 0.00 C ATOM 1340 CD ARG A 83 2.545 -10.999 -7.043 1.00 0.00 C ATOM 1341 NE ARG A 83 2.793 -12.311 -7.706 1.00 0.00 N ATOM 1342 CZ ARG A 83 2.107 -12.648 -8.765 1.00 0.00 C ATOM 1343 NH1 ARG A 83 0.901 -13.131 -8.634 1.00 0.00 N ATOM 1344 NH2 ARG A 83 2.627 -12.503 -9.953 1.00 0.00 N ATOM 0 H ARG A 83 4.858 -9.814 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 83 4.948 -8.442 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.594 -10.842 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.071 -11.370 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.661 -9.147 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.506 -10.475 -7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.131 -11.155 -6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.809 -10.427 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 83 3.499 -12.946 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.495 -13.245 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.365 -13.394 -9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.569 -12.126 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.091 -12.766 -10.780 1.00 0.00 H new ATOM 1358 N TRP A 84 2.754 -7.744 -4.188 1.00 0.00 N ATOM 1359 CA TRP A 84 1.363 -7.382 -3.785 1.00 0.00 C ATOM 1360 C TRP A 84 0.572 -6.974 -5.030 1.00 0.00 C ATOM 1361 O TRP A 84 0.999 -6.128 -5.794 1.00 0.00 O ATOM 1362 CB TRP A 84 1.393 -6.209 -2.803 1.00 0.00 C ATOM 1363 CG TRP A 84 2.116 -6.606 -1.555 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.398 -7.038 -1.501 1.00 0.00 C ATOM 1365 CD2 TRP A 84 1.625 -6.611 -0.184 1.00 0.00 C ATOM 1366 NE1 TRP A 84 3.724 -7.307 -0.185 1.00 0.00 N ATOM 1367 CE2 TRP A 84 2.664 -7.060 0.666 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.391 -6.272 0.401 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.485 -7.170 2.046 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.207 -6.382 1.790 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.252 -6.830 2.610 1.00 0.00 C ATOM 0 H TRP A 84 3.373 -6.952 -4.363 1.00 0.00 H new ATOM 0 HA TRP A 84 0.891 -8.240 -3.306 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.886 -5.352 -3.262 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.376 -5.900 -2.561 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.058 -7.154 -2.348 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.636 -7.646 0.121 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.420 -5.925 -0.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.293 -7.515 2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.745 -6.120 2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.105 -6.912 3.677 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.574 -7.570 -5.240 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.393 -7.221 -6.437 1.00 0.00 C ATOM 1384 C GLU A 85 -2.651 -6.471 -5.993 1.00 0.00 C ATOM 1385 O GLU A 85 -3.557 -7.051 -5.425 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.805 -8.503 -7.165 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.564 -9.197 -7.730 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.222 -8.609 -9.102 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -1.137 -8.192 -9.794 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.951 -8.590 -9.440 1.00 0.00 O ATOM 0 H GLU A 85 -0.977 -8.284 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.806 -6.591 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.326 -9.171 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.500 -8.268 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.277 -9.069 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.743 -10.269 -7.818 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.712 -5.189 -6.249 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.912 -4.400 -5.846 1.00 0.00 C ATOM 1399 C PHE A 86 -5.029 -4.614 -6.867 1.00 0.00 C ATOM 1400 O PHE A 86 -4.973 -4.111 -7.975 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.557 -2.909 -5.786 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.439 -2.674 -4.791 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -2.478 -3.269 -3.521 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.364 -1.850 -5.142 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -1.441 -3.042 -2.610 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.328 -1.622 -4.229 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.366 -2.218 -2.964 1.00 0.00 C ATOM 0 H PHE A 86 -1.981 -4.655 -6.720 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.246 -4.731 -4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.254 -2.561 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.435 -2.330 -5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.309 -3.902 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.334 -1.389 -6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.470 -3.502 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.501 -0.986 -4.501 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.434 -2.042 -2.260 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.046 -5.353 -6.502 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.175 -5.602 -7.444 1.00 0.00 C ATOM 1419 C GLU A 87 -8.326 -4.651 -7.112 1.00 0.00 C ATOM 1420 O GLU A 87 -8.476 -4.216 -5.986 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.657 -7.049 -7.305 1.00 0.00 C ATOM 1422 CG GLU A 87 -8.509 -7.421 -8.523 1.00 0.00 C ATOM 1423 CD GLU A 87 -8.809 -8.920 -8.502 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -9.055 -9.440 -7.425 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -8.793 -9.524 -9.563 1.00 0.00 O ATOM 0 H GLU A 87 -6.142 -5.796 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.837 -5.432 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.803 -7.722 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.240 -7.164 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.440 -6.854 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.983 -7.158 -9.441 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.138 -4.327 -8.086 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.283 -3.405 -7.836 1.00 0.00 C ATOM 1434 C ASN A 88 -11.588 -4.203 -7.856 1.00 0.00 C ATOM 1435 O ASN A 88 -11.586 -5.406 -8.034 1.00 0.00 O ATOM 1436 CB ASN A 88 -10.320 -2.329 -8.927 1.00 0.00 C ATOM 1437 CG ASN A 88 -10.698 -0.981 -8.309 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -10.065 -0.526 -7.378 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -11.715 -0.320 -8.792 1.00 0.00 N ATOM 0 H ASN A 88 -9.056 -4.663 -9.046 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.164 -2.928 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.347 -2.257 -9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -11.042 -2.602 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.978 0.579 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.247 -0.702 -9.574 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.698 -3.539 -7.670 1.00 0.00 N ATOM 1447 CA GLU A 89 -14.008 -4.251 -7.673 1.00 0.00 C ATOM 1448 C GLU A 89 -14.388 -4.608 -9.111 1.00 0.00 C ATOM 1449 O GLU A 89 -14.661 -5.751 -9.420 1.00 0.00 O ATOM 1450 CB GLU A 89 -15.079 -3.347 -7.059 1.00 0.00 C ATOM 1451 CG GLU A 89 -15.216 -3.666 -5.569 1.00 0.00 C ATOM 1452 CD GLU A 89 -16.474 -2.997 -5.011 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -16.582 -1.789 -5.136 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -17.306 -3.705 -4.468 1.00 0.00 O ATOM 0 H GLU A 89 -12.753 -2.532 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.932 -5.166 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.809 -2.300 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -16.033 -3.499 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.271 -4.745 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.336 -3.315 -5.030 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.399 -3.636 -9.992 1.00 0.00 N ATOM 1462 CA ARG A 90 -14.754 -3.901 -11.423 1.00 0.00 C ATOM 1463 C ARG A 90 -16.209 -4.367 -11.521 1.00 0.00 C ATOM 1464 O ARG A 90 -16.658 -5.199 -10.756 1.00 0.00 O ATOM 1465 CB ARG A 90 -13.825 -4.975 -12.006 1.00 0.00 C ATOM 1466 CG ARG A 90 -14.041 -5.069 -13.517 1.00 0.00 C ATOM 1467 CD ARG A 90 -13.029 -4.173 -14.234 1.00 0.00 C ATOM 1468 NE ARG A 90 -13.633 -3.657 -15.495 1.00 0.00 N ATOM 1469 CZ ARG A 90 -12.921 -2.929 -16.312 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -11.754 -3.352 -16.711 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -13.379 -1.781 -16.732 1.00 0.00 N ATOM 0 H ARG A 90 -14.176 -2.664 -9.780 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.633 -2.980 -11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.785 -4.728 -11.791 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.027 -5.939 -11.538 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.927 -6.101 -13.848 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.056 -4.763 -13.770 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.741 -3.343 -13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.122 -4.735 -14.455 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.604 -3.873 -15.720 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.398 -4.251 -16.385 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.197 -2.784 -17.349 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.293 -1.452 -16.422 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.822 -1.213 -17.370 1.00 0.00 H new ATOM 1485 N HIS A 91 -16.946 -3.831 -12.461 1.00 0.00 N ATOM 1486 CA HIS A 91 -18.376 -4.233 -12.617 1.00 0.00 C ATOM 1487 C HIS A 91 -18.778 -4.148 -14.095 1.00 0.00 C ATOM 1488 O HIS A 91 -19.784 -3.556 -14.444 1.00 0.00 O ATOM 1489 CB HIS A 91 -19.264 -3.302 -11.786 1.00 0.00 C ATOM 1490 CG HIS A 91 -18.955 -1.867 -12.123 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -19.678 -1.155 -13.067 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -18.004 -1.000 -11.648 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -19.157 0.084 -13.126 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -18.134 0.232 -12.282 1.00 0.00 N ATOM 0 H HIS A 91 -16.618 -3.132 -13.127 1.00 0.00 H new ATOM 0 HA HIS A 91 -18.503 -5.258 -12.269 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -20.315 -3.514 -11.985 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.098 -3.479 -10.723 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -20.462 -1.506 -13.617 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.266 -1.238 -10.896 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.522 0.864 -13.777 1.00 0.00 H new ATOM 1502 N ALA A 92 -17.999 -4.741 -14.966 1.00 0.00 N ATOM 1503 CA ALA A 92 -18.325 -4.707 -16.427 1.00 0.00 C ATOM 1504 C ALA A 92 -18.382 -3.255 -16.913 1.00 0.00 C ATOM 1505 O ALA A 92 -19.034 -3.011 -17.915 1.00 0.00 O ATOM 1506 CB ALA A 92 -19.682 -5.377 -16.667 1.00 0.00 C ATOM 1507 OXT ALA A 92 -17.771 -2.414 -16.274 1.00 0.00 O ATOM 0 H ALA A 92 -17.148 -5.249 -14.727 1.00 0.00 H new ATOM 0 HA ALA A 92 -17.551 -5.242 -16.978 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -19.917 -5.351 -17.731 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -19.641 -6.413 -16.329 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -20.454 -4.844 -16.112 1.00 0.00 H new TER 1513 ALA A 92