USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 85 GLN : amide:sc= 0.387 K(o=-1.3,f=-2.4) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 140:sc= -0.991 (180deg=-0.0668) USER MOD Set 1.3: A 101 SER OG : rot 7:sc= -0.726! USER MOD Set 2.1: A 65 ASN : amide:sc= 1.25 K(o=3.9,f=1.2) USER MOD Set 2.2: A 88 TYR OH : rot -108:sc= 2.18 USER MOD Set 2.3: A 115 GLN : amide:sc= 0.475 K(o=3.9,f=1) USER MOD Set 3.1: A 73 MET CE :methyl 167:sc= -0.0451 (180deg=-0.341) USER MOD Set 3.2: A 89 SER OG : rot 180:sc=-0.00735 USER MOD Set 4.1: A 61 LYS NZ :NH3+ -154:sc= 0.689 (180deg=-0.151) USER MOD Set 4.2: A 110 THR OG1 : rot -177:sc= 0.501 USER MOD Set 5.1: A 47 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0) USER MOD Set 5.2: A 48 ASN : amide:sc= 0.882 K(o=2.1,f=-11!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -144:sc= -0.22 (180deg=-1.49!) USER MOD Single : A 3 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.48) USER MOD Single : A 14 THR OG1 : rot -34:sc= 1.09 USER MOD Single : A 15 GLN :FLIP amide:sc= -1.78! C(o=-12!,f=-1.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 86:sc= 0.644 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 97:sc= -0.134 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -8.85! C(o=-8.8!,f=-21!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.663 F(o=-3.7!,f=-0.66) USER MOD Single : A 84 SER OG : rot 130:sc= -0.316 USER MOD Single : A 91 THR OG1 : rot 3:sc= 0.954 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 80:sc= -1.4 USER MOD Single : A 99 SER OG : rot 48:sc= -1.01 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 84:sc= -2.65! USER MOD Single : A 117 THR OG1 : rot -89:sc= -1.41 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 22.054 -5.854 -17.191 1.00 0.00 N ATOM 2 CA GLN A 1 21.700 -7.247 -17.476 1.00 0.00 C ATOM 3 C GLN A 1 20.311 -7.611 -16.881 1.00 0.00 C ATOM 4 O GLN A 1 19.484 -8.211 -17.558 1.00 0.00 O ATOM 5 CB GLN A 1 22.779 -8.058 -16.787 1.00 0.00 C ATOM 6 CG GLN A 1 24.155 -7.809 -17.354 1.00 0.00 C ATOM 7 CD GLN A 1 25.211 -7.894 -16.292 1.00 0.00 C ATOM 8 OE1 GLN A 1 25.746 -8.951 -15.985 1.00 0.00 O ATOM 9 NE2 GLN A 1 25.507 -6.728 -15.715 1.00 0.00 N ATOM 0 H1 GLN A 1 22.571 -5.455 -18.000 1.00 0.00 H new ATOM 0 H2 GLN A 1 21.188 -5.302 -17.027 1.00 0.00 H new ATOM 0 H3 GLN A 1 22.655 -5.815 -16.343 1.00 0.00 H new ATOM 0 HA GLN A 1 21.638 -7.435 -18.548 1.00 0.00 H new ATOM 0 HB2 GLN A 1 22.782 -7.820 -15.723 1.00 0.00 H new ATOM 0 HB3 GLN A 1 22.542 -9.118 -16.876 1.00 0.00 H new ATOM 0 HG2 GLN A 1 24.365 -8.538 -18.136 1.00 0.00 H new ATOM 0 HG3 GLN A 1 24.185 -6.824 -17.820 1.00 0.00 H new ATOM 0 HE21 GLN A 1 25.029 -5.877 -16.011 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.211 -6.688 -14.978 1.00 0.00 H new ATOM 18 N CYS A 2 20.071 -7.227 -15.625 1.00 0.00 N ATOM 19 CA CYS A 2 18.761 -7.389 -14.983 1.00 0.00 C ATOM 20 C CYS A 2 17.839 -6.286 -15.394 1.00 0.00 C ATOM 21 O CYS A 2 16.622 -6.407 -15.319 1.00 0.00 O ATOM 22 CB CYS A 2 18.923 -7.452 -13.489 1.00 0.00 C ATOM 23 SG CYS A 2 20.180 -8.666 -12.980 1.00 0.00 S ATOM 0 H CYS A 2 20.775 -6.797 -15.025 1.00 0.00 H new ATOM 0 HA CYS A 2 18.314 -8.328 -15.310 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.200 -6.467 -13.114 1.00 0.00 H new ATOM 0 HB3 CYS A 2 17.967 -7.709 -13.033 1.00 0.00 H new ATOM 28 N ASN A 3 18.458 -5.171 -15.794 1.00 0.00 N ATOM 29 CA ASN A 3 17.773 -3.977 -16.191 1.00 0.00 C ATOM 30 C ASN A 3 16.898 -3.450 -15.056 1.00 0.00 C ATOM 31 O ASN A 3 15.881 -2.801 -15.291 1.00 0.00 O ATOM 32 CB ASN A 3 16.925 -4.350 -17.387 1.00 0.00 C ATOM 33 CG ASN A 3 16.263 -3.204 -18.048 1.00 0.00 C ATOM 34 OD1 ASN A 3 16.869 -2.174 -18.342 1.00 0.00 O ATOM 35 ND2 ASN A 3 14.998 -3.362 -18.220 1.00 0.00 N ATOM 0 H ASN A 3 19.474 -5.091 -15.845 1.00 0.00 H new ATOM 0 HA ASN A 3 18.480 -3.185 -16.439 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.553 -4.862 -18.117 1.00 0.00 H new ATOM 0 HB3 ASN A 3 16.162 -5.061 -17.069 1.00 0.00 H new ATOM 0 HD21 ASN A 3 14.440 -2.608 -18.621 1.00 0.00 H new ATOM 0 HD22 ASN A 3 14.553 -4.241 -17.956 1.00 0.00 H new ATOM 42 N ALA A 4 17.415 -3.615 -13.822 1.00 0.00 N ATOM 43 CA ALA A 4 16.759 -3.155 -12.591 1.00 0.00 C ATOM 44 C ALA A 4 15.338 -3.722 -12.419 1.00 0.00 C ATOM 45 O ALA A 4 14.508 -3.650 -13.315 1.00 0.00 O ATOM 46 CB ALA A 4 16.740 -1.639 -12.536 1.00 0.00 C ATOM 0 H ALA A 4 18.309 -4.077 -13.655 1.00 0.00 H new ATOM 0 HA ALA A 4 17.349 -3.538 -11.758 1.00 0.00 H new ATOM 0 HB1 ALA A 4 16.251 -1.314 -11.618 1.00 0.00 H new ATOM 0 HB2 ALA A 4 17.762 -1.261 -12.555 1.00 0.00 H new ATOM 0 HB3 ALA A 4 16.193 -1.251 -13.395 1.00 0.00 H new ATOM 52 N PRO A 5 15.039 -4.307 -11.250 1.00 0.00 N ATOM 53 CA PRO A 5 13.726 -4.792 -10.961 1.00 0.00 C ATOM 54 C PRO A 5 12.767 -3.651 -10.789 1.00 0.00 C ATOM 55 O PRO A 5 13.159 -2.530 -10.436 1.00 0.00 O ATOM 56 CB PRO A 5 13.900 -5.573 -9.667 1.00 0.00 C ATOM 57 CG PRO A 5 14.976 -4.860 -9.002 1.00 0.00 C ATOM 58 CD PRO A 5 15.923 -4.475 -10.095 1.00 0.00 C ATOM 0 HA PRO A 5 13.313 -5.407 -11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.988 -5.576 -9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.161 -6.614 -9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.601 -3.981 -8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.466 -5.490 -8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.459 -3.556 -9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.673 -5.246 -10.269 1.00 0.00 H new ATOM 66 N GLU A 6 11.560 -3.932 -11.039 1.00 0.00 N ATOM 67 CA GLU A 6 10.501 -2.942 -10.927 1.00 0.00 C ATOM 68 C GLU A 6 10.335 -2.506 -9.464 1.00 0.00 C ATOM 69 O GLU A 6 10.600 -3.286 -8.543 1.00 0.00 O ATOM 70 CB GLU A 6 9.169 -3.430 -11.539 1.00 0.00 C ATOM 71 CG GLU A 6 8.533 -4.618 -10.842 1.00 0.00 C ATOM 72 CD GLU A 6 7.247 -5.044 -11.536 1.00 0.00 C ATOM 73 OE1 GLU A 6 7.332 -5.677 -12.614 1.00 0.00 O ATOM 74 OE2 GLU A 6 6.165 -4.711 -11.023 1.00 0.00 O ATOM 0 H GLU A 6 11.241 -4.855 -11.333 1.00 0.00 H new ATOM 0 HA GLU A 6 10.796 -2.071 -11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.460 -2.602 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.342 -3.692 -12.583 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.234 -5.452 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.321 -4.362 -9.804 1.00 0.00 H new ATOM 81 N TRP A 7 9.923 -1.263 -9.260 1.00 0.00 N ATOM 82 CA TRP A 7 9.835 -0.705 -7.923 1.00 0.00 C ATOM 83 C TRP A 7 8.696 -1.320 -7.135 1.00 0.00 C ATOM 84 O TRP A 7 7.533 -1.267 -7.535 1.00 0.00 O ATOM 85 CB TRP A 7 9.706 0.828 -7.985 1.00 0.00 C ATOM 86 CG TRP A 7 9.584 1.470 -6.637 1.00 0.00 C ATOM 87 CD1 TRP A 7 10.580 1.720 -5.745 1.00 0.00 C ATOM 88 CD2 TRP A 7 8.380 1.996 -6.050 1.00 0.00 C ATOM 89 NE1 TRP A 7 10.061 2.319 -4.614 1.00 0.00 N ATOM 90 CE2 TRP A 7 8.715 2.509 -4.786 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.047 2.065 -6.472 1.00 0.00 C ATOM 92 CZ2 TRP A 7 7.768 3.088 -3.936 1.00 0.00 C ATOM 93 CZ3 TRP A 7 6.114 2.642 -5.636 1.00 0.00 C ATOM 94 CH2 TRP A 7 6.475 3.143 -4.379 1.00 0.00 C ATOM 0 H TRP A 7 9.645 -0.624 -10.005 1.00 0.00 H new ATOM 0 HA TRP A 7 10.758 -0.950 -7.397 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.577 1.238 -8.497 1.00 0.00 H new ATOM 0 HB3 TRP A 7 8.833 1.088 -8.583 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.623 1.485 -5.899 1.00 0.00 H new ATOM 0 HE1 TRP A 7 10.594 2.578 -3.784 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.754 1.673 -7.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 8.046 3.477 -2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.085 2.709 -5.957 1.00 0.00 H new ATOM 0 HH2 TRP A 7 5.717 3.582 -3.747 1.00 0.00 H new ATOM 105 N LEU A 8 9.063 -1.891 -5.991 1.00 0.00 N ATOM 106 CA LEU A 8 8.134 -2.580 -5.143 1.00 0.00 C ATOM 107 C LEU A 8 7.972 -1.811 -3.843 1.00 0.00 C ATOM 108 O LEU A 8 8.881 -1.806 -3.019 1.00 0.00 O ATOM 109 CB LEU A 8 8.671 -3.993 -4.859 1.00 0.00 C ATOM 110 CG LEU A 8 7.640 -5.022 -4.389 1.00 0.00 C ATOM 111 CD1 LEU A 8 6.502 -5.135 -5.384 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.289 -6.374 -4.174 1.00 0.00 C ATOM 0 H LEU A 8 10.020 -1.881 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 8 7.163 -2.654 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.143 -4.370 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.451 -3.918 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 8 7.233 -4.681 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.781 -5.872 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.011 -4.167 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.894 -5.447 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.537 -7.089 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.729 -6.719 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.069 -6.287 -3.417 1.00 0.00 H new ATOM 124 N PRO A 9 6.825 -1.148 -3.638 1.00 0.00 N ATOM 125 CA PRO A 9 6.593 -0.343 -2.429 1.00 0.00 C ATOM 126 C PRO A 9 6.560 -1.202 -1.165 1.00 0.00 C ATOM 127 O PRO A 9 6.781 -0.712 -0.060 1.00 0.00 O ATOM 128 CB PRO A 9 5.211 0.294 -2.680 1.00 0.00 C ATOM 129 CG PRO A 9 4.548 -0.610 -3.674 1.00 0.00 C ATOM 130 CD PRO A 9 5.655 -1.126 -4.555 1.00 0.00 C ATOM 0 HA PRO A 9 7.387 0.385 -2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.633 0.360 -1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.307 1.307 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.031 -1.429 -3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.802 -0.071 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.430 -2.118 -4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.826 -0.475 -5.413 1.00 0.00 H new ATOM 138 N PHE A 10 6.274 -2.481 -1.361 1.00 0.00 N ATOM 139 CA PHE A 10 6.143 -3.451 -0.285 1.00 0.00 C ATOM 140 C PHE A 10 7.480 -3.592 0.422 1.00 0.00 C ATOM 141 O PHE A 10 7.565 -3.685 1.644 1.00 0.00 O ATOM 142 CB PHE A 10 5.918 -4.827 -0.853 1.00 0.00 C ATOM 143 CG PHE A 10 4.719 -5.021 -1.715 1.00 0.00 C ATOM 144 CD1 PHE A 10 3.611 -4.190 -1.669 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.750 -6.044 -2.627 1.00 0.00 C ATOM 146 CE1 PHE A 10 2.543 -4.402 -2.532 1.00 0.00 C ATOM 147 CE2 PHE A 10 3.716 -6.263 -3.487 1.00 0.00 C ATOM 148 CZ PHE A 10 2.597 -5.441 -3.445 1.00 0.00 C ATOM 0 H PHE A 10 6.124 -2.880 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 10 5.331 -3.115 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.799 -5.101 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.853 -5.529 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.578 -3.376 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.614 -6.691 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.676 -3.760 -2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.766 -7.073 -4.199 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.773 -5.612 -4.122 1.00 0.00 H new ATOM 158 N ALA A 11 8.528 -3.629 -0.415 1.00 0.00 N ATOM 159 CA ALA A 11 9.832 -4.101 -0.020 1.00 0.00 C ATOM 160 C ALA A 11 10.924 -3.040 -0.041 1.00 0.00 C ATOM 161 O ALA A 11 10.900 -2.103 -0.828 1.00 0.00 O ATOM 162 CB ALA A 11 10.222 -5.259 -0.930 1.00 0.00 C ATOM 0 H ALA A 11 8.478 -3.327 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 11 9.751 -4.412 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.207 -5.629 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.490 -6.061 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.248 -4.916 -1.964 1.00 0.00 H new ATOM 168 N ARG A 12 11.890 -3.221 0.857 1.00 0.00 N ATOM 169 CA ARG A 12 13.052 -2.344 0.960 1.00 0.00 C ATOM 170 C ARG A 12 14.374 -3.158 0.927 1.00 0.00 C ATOM 171 O ARG A 12 14.949 -3.434 1.975 1.00 0.00 O ATOM 172 CB ARG A 12 12.988 -1.528 2.273 1.00 0.00 C ATOM 173 CG ARG A 12 12.733 -0.025 2.093 1.00 0.00 C ATOM 174 CD ARG A 12 13.893 0.647 1.366 1.00 0.00 C ATOM 175 NE ARG A 12 14.440 1.768 2.135 1.00 0.00 N ATOM 176 CZ ARG A 12 14.475 3.035 1.711 1.00 0.00 C ATOM 177 NH1 ARG A 12 14.009 3.351 0.510 1.00 0.00 N ATOM 178 NH2 ARG A 12 14.993 3.976 2.480 1.00 0.00 N ATOM 0 H ARG A 12 11.888 -3.983 1.535 1.00 0.00 H new ATOM 0 HA ARG A 12 13.036 -1.668 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.200 -1.942 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.927 -1.660 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.812 0.126 1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.591 0.442 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.679 -0.085 1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.555 1.004 0.393 1.00 0.00 H new ATOM 0 HE ARG A 12 14.821 1.567 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.622 2.626 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.038 4.319 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.367 3.736 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.019 4.943 2.156 1.00 0.00 H new ATOM 192 N PRO A 13 14.839 -3.622 -0.279 1.00 0.00 N ATOM 193 CA PRO A 13 16.105 -4.340 -0.415 1.00 0.00 C ATOM 194 C PRO A 13 17.302 -3.467 -0.102 1.00 0.00 C ATOM 195 O PRO A 13 17.292 -2.265 -0.350 1.00 0.00 O ATOM 196 CB PRO A 13 16.159 -4.827 -1.854 1.00 0.00 C ATOM 197 CG PRO A 13 14.814 -4.604 -2.396 1.00 0.00 C ATOM 198 CD PRO A 13 14.173 -3.495 -1.569 1.00 0.00 C ATOM 0 HA PRO A 13 16.149 -5.163 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.908 -4.279 -2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.431 -5.881 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.865 -4.320 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.221 -5.517 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.338 -2.513 -2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.095 -3.628 -1.482 1.00 0.00 H new ATOM 206 N THR A 14 18.328 -4.086 0.408 1.00 0.00 N ATOM 207 CA THR A 14 19.530 -3.379 0.869 1.00 0.00 C ATOM 208 C THR A 14 20.618 -3.306 -0.232 1.00 0.00 C ATOM 209 O THR A 14 21.724 -2.837 0.009 1.00 0.00 O ATOM 210 CB THR A 14 20.109 -4.048 2.161 1.00 0.00 C ATOM 211 OG1 THR A 14 21.329 -3.412 2.567 1.00 0.00 O ATOM 212 CG2 THR A 14 20.373 -5.534 1.950 1.00 0.00 C ATOM 0 H THR A 14 18.373 -5.098 0.524 1.00 0.00 H new ATOM 0 HA THR A 14 19.230 -2.358 1.105 1.00 0.00 H new ATOM 0 HB THR A 14 19.358 -3.928 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.824 -3.117 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.774 -5.966 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.441 -6.036 1.690 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.093 -5.665 1.142 1.00 0.00 H new ATOM 220 N GLN A 15 20.290 -3.786 -1.430 1.00 0.00 N ATOM 221 CA GLN A 15 21.280 -3.935 -2.517 1.00 0.00 C ATOM 222 C GLN A 15 20.848 -3.081 -3.684 1.00 0.00 C ATOM 223 O GLN A 15 21.532 -2.204 -4.124 1.00 0.00 O ATOM 224 CB GLN A 15 21.209 -5.362 -2.955 1.00 0.00 C ATOM 225 CG GLN A 15 21.631 -6.332 -1.921 1.00 0.00 C ATOM 226 CD GLN A 15 21.325 -7.651 -2.427 1.00 0.00 C ATOM 227 OE1 GLN A 15 20.055 -7.953 -2.266 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 22.120 -8.325 -3.060 1.00 0.00 N flip ATOM 0 H GLN A 15 19.347 -4.081 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 15 22.279 -3.648 -2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.186 -5.589 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.836 -5.492 -3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.697 -6.236 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.107 -6.148 -0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 15 23.092 -8.026 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 15 21.813 -9.188 -3.509 1.00 0.00 H new ATOM 237 N LEU A 16 19.582 -3.210 -3.966 1.00 0.00 N ATOM 238 CA LEU A 16 18.898 -2.633 -5.106 1.00 0.00 C ATOM 239 C LEU A 16 19.035 -1.142 -5.222 1.00 0.00 C ATOM 240 O LEU A 16 19.002 -0.617 -6.326 1.00 0.00 O ATOM 241 CB LEU A 16 17.432 -3.036 -4.998 1.00 0.00 C ATOM 242 CG LEU A 16 16.457 -2.398 -5.971 1.00 0.00 C ATOM 243 CD1 LEU A 16 15.285 -3.304 -6.162 1.00 0.00 C ATOM 244 CD2 LEU A 16 15.963 -1.075 -5.386 1.00 0.00 C ATOM 0 H LEU A 16 18.955 -3.754 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 16 19.362 -3.018 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.370 -4.117 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.094 -2.810 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 16 16.953 -2.226 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.583 -2.848 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.625 -4.260 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.790 -3.466 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.262 -0.610 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.464 -1.261 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.811 -0.409 -5.226 1.00 0.00 H new ATOM 256 N THR A 17 19.171 -0.479 -4.142 1.00 0.00 N ATOM 257 CA THR A 17 19.155 0.945 -4.148 1.00 0.00 C ATOM 258 C THR A 17 20.300 1.507 -5.031 1.00 0.00 C ATOM 259 O THR A 17 20.092 2.450 -5.786 1.00 0.00 O ATOM 260 CB THR A 17 19.237 1.506 -2.708 1.00 0.00 C ATOM 261 OG1 THR A 17 19.171 2.933 -2.717 1.00 0.00 O ATOM 262 CG2 THR A 17 20.509 1.045 -2.008 1.00 0.00 C ATOM 0 H THR A 17 19.297 -0.900 -3.222 1.00 0.00 H new ATOM 0 HA THR A 17 18.208 1.270 -4.579 1.00 0.00 H new ATOM 0 HB THR A 17 18.382 1.118 -2.154 1.00 0.00 H new ATOM 0 HG1 THR A 17 19.223 3.269 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.538 1.455 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.522 -0.044 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.378 1.393 -2.566 1.00 0.00 H new ATOM 270 N ASP A 18 21.499 0.968 -4.904 1.00 0.00 N ATOM 271 CA ASP A 18 22.595 1.407 -5.734 1.00 0.00 C ATOM 272 C ASP A 18 23.038 0.270 -6.608 1.00 0.00 C ATOM 273 O ASP A 18 24.012 0.392 -7.362 1.00 0.00 O ATOM 274 CB ASP A 18 23.781 1.948 -4.899 1.00 0.00 C ATOM 275 CG ASP A 18 24.277 1.006 -3.806 1.00 0.00 C ATOM 276 OD1 ASP A 18 23.451 0.512 -3.018 1.00 0.00 O ATOM 277 OD2 ASP A 18 25.512 0.792 -3.721 1.00 0.00 O ATOM 0 H ASP A 18 21.733 0.232 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 18 22.245 2.234 -6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.610 2.169 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 18 23.483 2.890 -4.439 1.00 0.00 H new ATOM 282 N GLU A 19 22.310 -0.853 -6.536 1.00 0.00 N ATOM 283 CA GLU A 19 22.763 -2.047 -7.190 1.00 0.00 C ATOM 284 C GLU A 19 21.619 -2.616 -7.983 1.00 0.00 C ATOM 285 O GLU A 19 21.136 -3.718 -7.750 1.00 0.00 O ATOM 286 CB GLU A 19 23.175 -3.029 -6.157 1.00 0.00 C ATOM 287 CG GLU A 19 24.282 -2.485 -5.304 1.00 0.00 C ATOM 288 CD GLU A 19 24.765 -3.417 -4.210 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.285 -4.562 -4.126 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.629 -2.977 -3.406 1.00 0.00 O ATOM 0 H GLU A 19 21.425 -0.941 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 19 23.604 -1.828 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.320 -3.282 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 19 23.502 -3.951 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.126 -2.235 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.944 -1.556 -4.846 1.00 0.00 H new ATOM 297 N PHE A 20 21.203 -1.850 -8.892 1.00 0.00 N ATOM 298 CA PHE A 20 20.148 -2.179 -9.797 1.00 0.00 C ATOM 299 C PHE A 20 20.533 -3.353 -10.691 1.00 0.00 C ATOM 300 O PHE A 20 19.678 -4.139 -11.111 1.00 0.00 O ATOM 301 CB PHE A 20 19.668 -0.956 -10.572 1.00 0.00 C ATOM 302 CG PHE A 20 18.959 0.068 -9.693 1.00 0.00 C ATOM 303 CD1 PHE A 20 17.625 -0.100 -9.341 1.00 0.00 C ATOM 304 CD2 PHE A 20 19.628 1.191 -9.222 1.00 0.00 C ATOM 305 CE1 PHE A 20 16.976 0.833 -8.541 1.00 0.00 C ATOM 306 CE2 PHE A 20 18.980 2.122 -8.430 1.00 0.00 C ATOM 307 CZ PHE A 20 17.656 1.942 -8.091 1.00 0.00 C ATOM 0 H PHE A 20 21.595 -0.922 -9.052 1.00 0.00 H new ATOM 0 HA PHE A 20 19.290 -2.512 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 20 20.522 -0.482 -11.056 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.991 -1.277 -11.364 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.086 -0.967 -9.694 1.00 0.00 H new ATOM 0 HD2 PHE A 20 20.667 1.339 -9.477 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.940 0.688 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 20 19.513 2.992 -8.076 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.153 2.671 -7.473 1.00 0.00 H new ATOM 317 N GLU A 21 21.800 -3.436 -11.034 1.00 0.00 N ATOM 318 CA GLU A 21 22.234 -4.384 -12.037 1.00 0.00 C ATOM 319 C GLU A 21 23.089 -5.510 -11.443 1.00 0.00 C ATOM 320 O GLU A 21 23.987 -5.259 -10.641 1.00 0.00 O ATOM 321 CB GLU A 21 23.047 -3.661 -13.080 1.00 0.00 C ATOM 322 CG GLU A 21 22.242 -2.672 -13.885 1.00 0.00 C ATOM 323 CD GLU A 21 23.083 -1.921 -14.882 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.272 -2.264 -15.022 1.00 0.00 O ATOM 325 OE2 GLU A 21 22.561 -0.974 -15.516 1.00 0.00 O ATOM 0 H GLU A 21 22.544 -2.862 -10.636 1.00 0.00 H new ATOM 0 HA GLU A 21 21.341 -4.833 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.869 -3.138 -12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 21 23.491 -4.392 -13.755 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.445 -3.199 -14.410 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.764 -1.962 -13.210 1.00 0.00 H new ATOM 332 N PHE A 22 22.780 -6.760 -11.845 1.00 0.00 N ATOM 333 CA PHE A 22 23.552 -7.948 -11.439 1.00 0.00 C ATOM 334 C PHE A 22 23.616 -8.999 -12.583 1.00 0.00 C ATOM 335 O PHE A 22 22.915 -8.879 -13.581 1.00 0.00 O ATOM 336 CB PHE A 22 22.921 -8.621 -10.200 1.00 0.00 C ATOM 337 CG PHE A 22 23.028 -7.863 -8.911 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.205 -7.862 -8.183 1.00 0.00 C ATOM 339 CD2 PHE A 22 21.937 -7.172 -8.413 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.290 -7.178 -6.980 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.015 -6.497 -7.214 1.00 0.00 C ATOM 342 CZ PHE A 22 23.190 -6.496 -6.499 1.00 0.00 C ATOM 0 H PHE A 22 21.992 -6.972 -12.457 1.00 0.00 H new ATOM 0 HA PHE A 22 24.559 -7.603 -11.203 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.866 -8.799 -10.407 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.388 -9.596 -10.064 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.065 -8.399 -8.555 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.013 -7.162 -8.971 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.214 -7.179 -6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.153 -5.968 -6.835 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.252 -5.962 -5.562 1.00 0.00 H new ATOM 352 N PRO A 23 24.530 -9.979 -12.467 1.00 0.00 N ATOM 353 CA PRO A 23 24.594 -11.162 -13.339 1.00 0.00 C ATOM 354 C PRO A 23 23.535 -12.224 -12.956 1.00 0.00 C ATOM 355 O PRO A 23 22.814 -12.071 -11.951 1.00 0.00 O ATOM 356 CB PRO A 23 25.996 -11.702 -13.132 1.00 0.00 C ATOM 357 CG PRO A 23 26.307 -11.339 -11.734 1.00 0.00 C ATOM 358 CD PRO A 23 25.643 -10.006 -11.481 1.00 0.00 C ATOM 0 HA PRO A 23 24.385 -10.909 -14.378 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.036 -12.781 -13.284 1.00 0.00 H new ATOM 0 HB3 PRO A 23 26.705 -11.255 -13.829 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.934 -12.096 -11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.384 -11.272 -11.581 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.275 -9.929 -10.458 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.335 -9.178 -11.634 1.00 0.00 H new ATOM 366 N ILE A 24 23.441 -13.282 -13.755 1.00 0.00 N ATOM 367 CA ILE A 24 22.478 -14.361 -13.521 1.00 0.00 C ATOM 368 C ILE A 24 22.846 -15.216 -12.326 1.00 0.00 C ATOM 369 O ILE A 24 23.993 -15.642 -12.149 1.00 0.00 O ATOM 370 CB ILE A 24 22.271 -15.272 -14.771 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.633 -14.465 -15.899 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.432 -16.507 -14.427 1.00 0.00 C ATOM 373 CD1 ILE A 24 21.605 -15.175 -17.236 1.00 0.00 C ATOM 0 H ILE A 24 24.025 -13.419 -14.580 1.00 0.00 H new ATOM 0 HA ILE A 24 21.536 -13.856 -13.310 1.00 0.00 H new ATOM 0 HB ILE A 24 23.244 -15.630 -15.106 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.612 -14.210 -15.615 1.00 0.00 H new ATOM 0 HG13 ILE A 24 22.176 -13.527 -16.011 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.306 -17.121 -15.319 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.938 -17.087 -13.655 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.454 -16.192 -14.062 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.136 -14.531 -17.980 1.00 0.00 H new ATOM 0 HD12 ILE A 24 22.624 -15.406 -17.547 1.00 0.00 H new ATOM 0 HD13 ILE A 24 21.035 -16.100 -17.145 1.00 0.00 H new ATOM 385 N GLY A 25 21.835 -15.473 -11.521 1.00 0.00 N ATOM 386 CA GLY A 25 22.008 -16.214 -10.295 1.00 0.00 C ATOM 387 C GLY A 25 22.260 -15.338 -9.091 1.00 0.00 C ATOM 388 O GLY A 25 22.720 -15.824 -8.065 1.00 0.00 O ATOM 0 H GLY A 25 20.876 -15.174 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.118 -16.817 -10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.843 -16.905 -10.412 1.00 0.00 H new ATOM 392 N THR A 26 21.999 -14.048 -9.228 1.00 0.00 N ATOM 393 CA THR A 26 22.118 -13.152 -8.120 1.00 0.00 C ATOM 394 C THR A 26 20.780 -13.090 -7.385 1.00 0.00 C ATOM 395 O THR A 26 19.735 -12.854 -8.004 1.00 0.00 O ATOM 396 CB THR A 26 22.481 -11.736 -8.565 1.00 0.00 C ATOM 397 OG1 THR A 26 23.658 -11.785 -9.370 1.00 0.00 O ATOM 398 CG2 THR A 26 22.772 -10.887 -7.343 1.00 0.00 C ATOM 0 H THR A 26 21.704 -13.611 -10.101 1.00 0.00 H new ATOM 0 HA THR A 26 22.913 -13.527 -7.475 1.00 0.00 H new ATOM 0 HB THR A 26 21.653 -11.310 -9.131 1.00 0.00 H new ATOM 0 HG1 THR A 26 23.411 -11.969 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.032 -9.876 -7.656 1.00 0.00 H new ATOM 0 HG22 THR A 26 21.889 -10.854 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.605 -11.320 -6.789 1.00 0.00 H new ATOM 406 N TYR A 27 20.805 -13.290 -6.101 1.00 0.00 N ATOM 407 CA TYR A 27 19.579 -13.272 -5.333 1.00 0.00 C ATOM 408 C TYR A 27 19.479 -11.957 -4.518 1.00 0.00 C ATOM 409 O TYR A 27 20.357 -11.634 -3.723 1.00 0.00 O ATOM 410 CB TYR A 27 19.605 -14.508 -4.377 1.00 0.00 C ATOM 411 CG TYR A 27 19.378 -15.880 -5.040 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.324 -16.436 -5.893 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.243 -16.632 -4.751 1.00 0.00 C ATOM 414 CE1 TYR A 27 20.132 -17.697 -6.453 1.00 0.00 C ATOM 415 CE2 TYR A 27 18.045 -17.892 -5.306 1.00 0.00 C ATOM 416 CZ TYR A 27 18.990 -18.414 -6.155 1.00 0.00 C ATOM 417 OH TYR A 27 18.797 -19.661 -6.709 1.00 0.00 O ATOM 0 H TYR A 27 21.651 -13.467 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 27 18.712 -13.321 -5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.568 -14.528 -3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.842 -14.366 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.222 -15.882 -6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.499 -16.228 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.874 -18.113 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.154 -18.456 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 27 17.945 -20.030 -6.396 1.00 0.00 H new ATOM 427 N LEU A 28 18.380 -11.223 -4.724 1.00 0.00 N ATOM 428 CA LEU A 28 18.091 -9.982 -3.968 1.00 0.00 C ATOM 429 C LEU A 28 17.430 -10.190 -2.626 1.00 0.00 C ATOM 430 O LEU A 28 16.554 -11.042 -2.463 1.00 0.00 O ATOM 431 CB LEU A 28 17.391 -8.866 -4.773 1.00 0.00 C ATOM 432 CG LEU A 28 18.253 -8.077 -5.769 1.00 0.00 C ATOM 433 CD1 LEU A 28 17.373 -7.285 -6.700 1.00 0.00 C ATOM 434 CD2 LEU A 28 19.130 -7.104 -5.021 1.00 0.00 C ATOM 0 H LEU A 28 17.666 -11.463 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 28 19.097 -9.617 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.563 -9.314 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.958 -8.159 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 28 18.860 -8.784 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.994 -6.729 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.721 -7.964 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.766 -6.588 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.741 -6.545 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.506 -6.412 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.778 -7.651 -4.336 1.00 0.00 H new ATOM 446 N ASN A 29 17.842 -9.369 -1.668 1.00 0.00 N ATOM 447 CA ASN A 29 17.354 -9.424 -0.334 1.00 0.00 C ATOM 448 C ASN A 29 16.221 -8.439 -0.239 1.00 0.00 C ATOM 449 O ASN A 29 16.432 -7.235 -0.166 1.00 0.00 O ATOM 450 CB ASN A 29 18.491 -9.003 0.638 1.00 0.00 C ATOM 451 CG ASN A 29 18.138 -9.159 2.122 1.00 0.00 C ATOM 452 OD1 ASN A 29 16.979 -9.048 2.529 1.00 0.00 O ATOM 453 ND2 ASN A 29 19.144 -9.443 2.938 1.00 0.00 N ATOM 0 H ASN A 29 18.538 -8.639 -1.820 1.00 0.00 H new ATOM 0 HA ASN A 29 17.019 -10.428 -0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.378 -9.599 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.752 -7.962 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.971 -9.577 3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 29 20.091 -9.528 2.569 1.00 0.00 H new ATOM 460 N TYR A 30 15.052 -8.959 -0.279 1.00 0.00 N ATOM 461 CA TYR A 30 13.839 -8.194 -0.163 1.00 0.00 C ATOM 462 C TYR A 30 13.146 -8.403 1.154 1.00 0.00 C ATOM 463 O TYR A 30 12.958 -9.532 1.602 1.00 0.00 O ATOM 464 CB TYR A 30 12.866 -8.516 -1.303 1.00 0.00 C ATOM 465 CG TYR A 30 13.098 -7.809 -2.629 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.361 -7.659 -3.219 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.001 -7.275 -3.290 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.486 -6.987 -4.437 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.119 -6.614 -4.484 1.00 0.00 C ATOM 470 CZ TYR A 30 13.346 -6.469 -5.057 1.00 0.00 C ATOM 471 OH TYR A 30 13.452 -5.811 -6.250 1.00 0.00 O ATOM 0 H TYR A 30 14.893 -9.960 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 30 14.139 -7.148 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.898 -9.591 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.857 -8.279 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.236 -8.063 -2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.021 -7.384 -2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.456 -6.869 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.243 -6.210 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 30 12.564 -5.517 -6.541 1.00 0.00 H new ATOM 481 N GLU A 31 12.768 -7.303 1.760 1.00 0.00 N ATOM 482 CA GLU A 31 12.000 -7.319 2.973 1.00 0.00 C ATOM 483 C GLU A 31 10.718 -6.557 2.788 1.00 0.00 C ATOM 484 O GLU A 31 10.729 -5.416 2.346 1.00 0.00 O ATOM 485 CB GLU A 31 12.801 -6.749 4.144 1.00 0.00 C ATOM 486 CG GLU A 31 12.053 -6.761 5.481 1.00 0.00 C ATOM 487 CD GLU A 31 12.888 -6.241 6.641 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.133 -6.155 6.499 1.00 0.00 O ATOM 489 OE2 GLU A 31 12.305 -5.892 7.694 1.00 0.00 O ATOM 0 H GLU A 31 12.988 -6.367 1.420 1.00 0.00 H new ATOM 0 HA GLU A 31 11.761 -8.356 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.723 -7.320 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.087 -5.724 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.151 -6.155 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.732 -7.779 5.701 1.00 0.00 H new ATOM 496 N CYS A 32 9.627 -7.192 3.127 1.00 0.00 N ATOM 497 CA CYS A 32 8.316 -6.565 3.053 1.00 0.00 C ATOM 498 C CYS A 32 7.925 -6.059 4.411 1.00 0.00 C ATOM 499 O CYS A 32 8.237 -6.681 5.433 1.00 0.00 O ATOM 500 CB CYS A 32 7.242 -7.522 2.508 1.00 0.00 C ATOM 501 SG CYS A 32 7.381 -7.902 0.722 1.00 0.00 S ATOM 0 H CYS A 32 9.612 -8.155 3.462 1.00 0.00 H new ATOM 0 HA CYS A 32 8.383 -5.732 2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.291 -8.456 3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.260 -7.088 2.697 1.00 0.00 H new ATOM 506 N ARG A 33 7.271 -4.932 4.424 1.00 0.00 N ATOM 507 CA ARG A 33 6.874 -4.294 5.674 1.00 0.00 C ATOM 508 C ARG A 33 5.711 -5.058 6.340 1.00 0.00 C ATOM 509 O ARG A 33 5.138 -5.974 5.755 1.00 0.00 O ATOM 510 CB ARG A 33 6.476 -2.821 5.407 1.00 0.00 C ATOM 511 CG ARG A 33 7.210 -2.179 4.223 1.00 0.00 C ATOM 512 CD ARG A 33 7.046 -0.654 4.168 1.00 0.00 C ATOM 513 NE ARG A 33 5.867 -0.172 4.895 1.00 0.00 N ATOM 514 CZ ARG A 33 5.196 0.950 4.587 1.00 0.00 C ATOM 515 NH1 ARG A 33 5.501 1.630 3.485 1.00 0.00 N ATOM 516 NH2 ARG A 33 4.223 1.384 5.381 1.00 0.00 N ATOM 0 H ARG A 33 6.994 -4.424 3.584 1.00 0.00 H new ATOM 0 HA ARG A 33 7.721 -4.315 6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.402 -2.773 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.673 -2.234 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.271 -2.422 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.838 -2.612 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.938 -0.184 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.976 -0.340 3.127 1.00 0.00 H new ATOM 0 HE ARG A 33 5.535 -0.725 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.246 1.300 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.990 2.482 3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.985 0.865 6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.715 2.236 5.145 1.00 0.00 H new ATOM 530 N PRO A 34 5.362 -4.697 7.601 1.00 0.00 N ATOM 531 CA PRO A 34 4.207 -5.272 8.297 1.00 0.00 C ATOM 532 C PRO A 34 2.896 -4.972 7.570 1.00 0.00 C ATOM 533 O PRO A 34 2.752 -3.936 6.921 1.00 0.00 O ATOM 534 CB PRO A 34 4.184 -4.574 9.656 1.00 0.00 C ATOM 535 CG PRO A 34 5.515 -3.938 9.826 1.00 0.00 C ATOM 536 CD PRO A 34 6.111 -3.760 8.457 1.00 0.00 C ATOM 0 HA PRO A 34 4.295 -6.357 8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.390 -3.828 9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.991 -5.289 10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.418 -2.976 10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.160 -4.560 10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.004 -2.733 8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.177 -3.988 8.456 1.00 0.00 H new ATOM 544 N GLY A 35 1.952 -5.899 7.677 1.00 0.00 N ATOM 545 CA GLY A 35 0.666 -5.735 7.031 1.00 0.00 C ATOM 546 C GLY A 35 0.549 -6.453 5.718 1.00 0.00 C ATOM 547 O GLY A 35 -0.495 -6.378 5.057 1.00 0.00 O ATOM 0 H GLY A 35 2.057 -6.766 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.115 -6.094 7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.484 -4.672 6.870 1.00 0.00 H new ATOM 551 N TYR A 36 1.593 -7.160 5.325 1.00 0.00 N ATOM 552 CA TYR A 36 1.551 -7.883 4.088 1.00 0.00 C ATOM 553 C TYR A 36 1.442 -9.397 4.321 1.00 0.00 C ATOM 554 O TYR A 36 2.183 -9.984 5.112 1.00 0.00 O ATOM 555 CB TYR A 36 2.765 -7.540 3.252 1.00 0.00 C ATOM 556 CG TYR A 36 2.758 -6.106 2.770 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.075 -5.762 1.622 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.423 -5.100 3.461 1.00 0.00 C ATOM 559 CE1 TYR A 36 2.045 -4.464 1.168 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.399 -3.798 3.018 1.00 0.00 C ATOM 561 CZ TYR A 36 2.710 -3.482 1.870 1.00 0.00 C ATOM 562 OH TYR A 36 2.687 -2.176 1.421 1.00 0.00 O ATOM 0 H TYR A 36 2.467 -7.243 5.845 1.00 0.00 H new ATOM 0 HA TYR A 36 0.656 -7.583 3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.666 -7.717 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.808 -8.208 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.553 -6.528 1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.968 -5.345 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.504 -4.216 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.918 -3.028 3.569 1.00 0.00 H new ATOM 0 HH TYR A 36 3.204 -1.611 2.032 1.00 0.00 H new ATOM 572 N SER A 37 0.473 -9.993 3.632 1.00 0.00 N ATOM 573 CA SER A 37 0.172 -11.427 3.707 1.00 0.00 C ATOM 574 C SER A 37 1.328 -12.302 3.214 1.00 0.00 C ATOM 575 O SER A 37 1.684 -13.307 3.821 1.00 0.00 O ATOM 576 CB SER A 37 -1.117 -11.733 2.920 1.00 0.00 C ATOM 577 OG SER A 37 -1.467 -13.105 2.989 1.00 0.00 O ATOM 0 H SER A 37 -0.139 -9.487 2.992 1.00 0.00 H new ATOM 0 HA SER A 37 0.025 -11.674 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.935 -11.130 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.983 -11.445 1.877 1.00 0.00 H new ATOM 0 HG SER A 37 -2.290 -13.259 2.479 1.00 0.00 H new ATOM 583 N GLY A 38 1.900 -11.895 2.105 1.00 0.00 N ATOM 584 CA GLY A 38 2.949 -12.665 1.486 1.00 0.00 C ATOM 585 C GLY A 38 4.318 -12.339 2.020 1.00 0.00 C ATOM 586 O GLY A 38 4.576 -11.211 2.456 1.00 0.00 O ATOM 0 H GLY A 38 1.655 -11.035 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.750 -13.726 1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.934 -12.489 0.410 1.00 0.00 H new ATOM 590 N ARG A 39 5.197 -13.322 1.986 1.00 0.00 N ATOM 591 CA ARG A 39 6.556 -13.152 2.431 1.00 0.00 C ATOM 592 C ARG A 39 7.510 -13.277 1.255 1.00 0.00 C ATOM 593 O ARG A 39 7.387 -14.201 0.436 1.00 0.00 O ATOM 594 CB ARG A 39 6.896 -14.139 3.550 1.00 0.00 C ATOM 595 CG ARG A 39 6.561 -13.593 4.925 1.00 0.00 C ATOM 596 CD ARG A 39 7.561 -12.520 5.327 1.00 0.00 C ATOM 597 NE ARG A 39 7.223 -11.885 6.586 1.00 0.00 N ATOM 598 CZ ARG A 39 8.023 -11.885 7.660 1.00 0.00 C ATOM 599 NH1 ARG A 39 9.143 -12.622 7.667 1.00 0.00 N ATOM 600 NH2 ARG A 39 7.678 -11.186 8.748 1.00 0.00 N ATOM 0 H ARG A 39 4.983 -14.260 1.648 1.00 0.00 H new ATOM 0 HA ARG A 39 6.667 -12.151 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.351 -15.069 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.958 -14.381 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.553 -13.178 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.571 -14.401 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.553 -12.964 5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.610 -11.763 4.544 1.00 0.00 H new ATOM 0 HE ARG A 39 6.323 -11.410 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.388 -13.185 6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.750 -12.620 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.807 -10.655 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.286 -11.185 9.567 1.00 0.00 H new ATOM 614 N PRO A 40 8.447 -12.328 1.124 1.00 0.00 N ATOM 615 CA PRO A 40 9.354 -12.260 -0.005 1.00 0.00 C ATOM 616 C PRO A 40 10.285 -13.439 -0.117 1.00 0.00 C ATOM 617 O PRO A 40 10.704 -14.034 0.876 1.00 0.00 O ATOM 618 CB PRO A 40 10.185 -10.999 0.231 1.00 0.00 C ATOM 619 CG PRO A 40 9.485 -10.252 1.298 1.00 0.00 C ATOM 620 CD PRO A 40 8.756 -11.279 2.112 1.00 0.00 C ATOM 0 HA PRO A 40 8.777 -12.255 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.202 -11.251 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.260 -10.404 -0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.192 -9.696 1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.791 -9.525 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.372 -11.660 2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.852 -10.870 2.562 1.00 0.00 H new ATOM 628 N PHE A 41 10.595 -13.757 -1.325 1.00 0.00 N ATOM 629 CA PHE A 41 11.645 -14.670 -1.627 1.00 0.00 C ATOM 630 C PHE A 41 12.485 -13.949 -2.622 1.00 0.00 C ATOM 631 O PHE A 41 11.975 -13.081 -3.341 1.00 0.00 O ATOM 632 CB PHE A 41 11.155 -15.996 -2.193 1.00 0.00 C ATOM 633 CG PHE A 41 12.268 -16.962 -2.544 1.00 0.00 C ATOM 634 CD1 PHE A 41 13.028 -17.575 -1.548 1.00 0.00 C ATOM 635 CD2 PHE A 41 12.545 -17.259 -3.863 1.00 0.00 C ATOM 636 CE1 PHE A 41 14.042 -18.459 -1.876 1.00 0.00 C ATOM 637 CE2 PHE A 41 13.552 -18.140 -4.202 1.00 0.00 C ATOM 638 CZ PHE A 41 14.306 -18.743 -3.210 1.00 0.00 C ATOM 0 H PHE A 41 10.119 -13.384 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 41 12.186 -14.948 -0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.493 -16.468 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.561 -15.801 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.823 -17.358 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.963 -16.793 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.626 -18.926 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.752 -18.359 -5.241 1.00 0.00 H new ATOM 0 HZ PHE A 41 15.096 -19.431 -3.472 1.00 0.00 H new ATOM 648 N SER A 42 13.716 -14.281 -2.693 1.00 0.00 N ATOM 649 CA SER A 42 14.634 -13.510 -3.479 1.00 0.00 C ATOM 650 C SER A 42 14.302 -13.586 -4.961 1.00 0.00 C ATOM 651 O SER A 42 13.841 -14.610 -5.463 1.00 0.00 O ATOM 652 CB SER A 42 16.049 -14.035 -3.244 1.00 0.00 C ATOM 653 OG SER A 42 16.304 -14.185 -1.862 1.00 0.00 O ATOM 0 H SER A 42 14.126 -15.085 -2.218 1.00 0.00 H new ATOM 0 HA SER A 42 14.558 -12.466 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.175 -14.993 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.774 -13.348 -3.680 1.00 0.00 H new ATOM 0 HG SER A 42 17.214 -14.524 -1.732 1.00 0.00 H new ATOM 659 N ILE A 43 14.499 -12.475 -5.633 1.00 0.00 N ATOM 660 CA ILE A 43 14.355 -12.420 -7.057 1.00 0.00 C ATOM 661 C ILE A 43 15.709 -12.596 -7.682 1.00 0.00 C ATOM 662 O ILE A 43 16.687 -11.966 -7.272 1.00 0.00 O ATOM 663 CB ILE A 43 13.686 -11.121 -7.570 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.493 -9.892 -7.150 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.242 -11.025 -7.086 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.014 -8.614 -7.783 1.00 0.00 C ATOM 0 H ILE A 43 14.763 -11.589 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 43 13.682 -13.226 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 43 13.670 -11.154 -8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.447 -9.790 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.540 -10.048 -7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.794 -10.104 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.677 -11.880 -7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.223 -11.022 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.632 -7.784 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.086 -8.696 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.977 -8.435 -7.501 1.00 0.00 H new ATOM 678 N ILE A 44 15.762 -13.495 -8.595 1.00 0.00 N ATOM 679 CA ILE A 44 16.979 -13.898 -9.249 1.00 0.00 C ATOM 680 C ILE A 44 16.958 -13.545 -10.735 1.00 0.00 C ATOM 681 O ILE A 44 15.999 -13.842 -11.422 1.00 0.00 O ATOM 682 CB ILE A 44 17.211 -15.417 -9.087 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.835 -15.872 -7.675 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.659 -15.726 -9.341 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.416 -16.371 -7.546 1.00 0.00 C ATOM 0 H ILE A 44 14.938 -13.995 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 44 17.795 -13.355 -8.773 1.00 0.00 H new ATOM 0 HB ILE A 44 16.584 -15.947 -9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.517 -16.664 -7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.980 -15.040 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.828 -16.797 -9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.924 -15.422 -10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.278 -15.184 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.229 -16.674 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.724 -15.575 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.269 -17.225 -8.208 1.00 0.00 H new ATOM 697 N CYS A 45 17.978 -12.864 -11.221 1.00 0.00 N ATOM 698 CA CYS A 45 18.058 -12.540 -12.659 1.00 0.00 C ATOM 699 C CYS A 45 18.226 -13.842 -13.457 1.00 0.00 C ATOM 700 O CYS A 45 19.335 -14.232 -13.790 1.00 0.00 O ATOM 701 CB CYS A 45 19.265 -11.619 -12.907 1.00 0.00 C ATOM 702 SG CYS A 45 19.178 -10.090 -11.951 1.00 0.00 S ATOM 0 H CYS A 45 18.760 -12.522 -10.662 1.00 0.00 H new ATOM 0 HA CYS A 45 17.147 -12.032 -12.977 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.182 -12.151 -12.652 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.321 -11.377 -13.968 1.00 0.00 H new ATOM 707 N LEU A 46 17.109 -14.548 -13.697 1.00 0.00 N ATOM 708 CA LEU A 46 17.172 -15.839 -14.376 1.00 0.00 C ATOM 709 C LEU A 46 16.931 -15.739 -15.865 1.00 0.00 C ATOM 710 O LEU A 46 17.833 -15.966 -16.671 1.00 0.00 O ATOM 711 CB LEU A 46 16.132 -16.811 -13.788 1.00 0.00 C ATOM 712 CG LEU A 46 16.263 -17.136 -12.301 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.131 -18.050 -11.851 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.611 -17.779 -11.994 1.00 0.00 C ATOM 0 H LEU A 46 16.170 -14.248 -13.434 1.00 0.00 H new ATOM 0 HA LEU A 46 18.185 -16.208 -14.217 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.140 -16.393 -13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.185 -17.745 -14.347 1.00 0.00 H new ATOM 0 HG LEU A 46 16.199 -16.198 -11.749 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.241 -18.270 -10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.175 -17.556 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.166 -18.979 -12.420 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.675 -17.999 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.711 -18.704 -12.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.412 -17.094 -12.272 1.00 0.00 H new ATOM 726 N LYS A 47 15.694 -15.370 -16.241 1.00 0.00 N ATOM 727 CA LYS A 47 15.318 -15.422 -17.635 1.00 0.00 C ATOM 728 C LYS A 47 15.815 -14.170 -18.314 1.00 0.00 C ATOM 729 O LYS A 47 15.313 -13.090 -18.047 1.00 0.00 O ATOM 730 CB LYS A 47 13.807 -15.469 -17.714 1.00 0.00 C ATOM 731 CG LYS A 47 13.376 -16.225 -18.903 1.00 0.00 C ATOM 732 CD LYS A 47 13.798 -15.601 -20.181 1.00 0.00 C ATOM 733 CE LYS A 47 14.166 -16.700 -21.116 1.00 0.00 C ATOM 734 NZ LYS A 47 14.048 -16.332 -22.540 1.00 0.00 N ATOM 0 H LYS A 47 14.966 -15.043 -15.606 1.00 0.00 H new ATOM 0 HA LYS A 47 15.747 -16.299 -18.121 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.404 -15.934 -16.814 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.407 -14.456 -17.755 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.781 -17.235 -18.849 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.290 -16.316 -18.893 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.992 -14.997 -20.597 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.645 -14.934 -20.021 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.191 -17.009 -20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.528 -17.562 -20.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.592 -17.004 -23.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.048 -16.361 -22.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.421 -15.372 -22.682 1.00 0.00 H new ATOM 748 N ASN A 48 16.808 -14.329 -19.196 1.00 0.00 N ATOM 749 CA ASN A 48 17.437 -13.179 -19.872 1.00 0.00 C ATOM 750 C ASN A 48 17.870 -12.198 -18.817 1.00 0.00 C ATOM 751 O ASN A 48 17.910 -10.993 -19.050 1.00 0.00 O ATOM 752 CB ASN A 48 16.492 -12.485 -20.874 1.00 0.00 C ATOM 753 CG ASN A 48 16.266 -13.247 -22.159 1.00 0.00 C ATOM 754 OD1 ASN A 48 15.372 -14.072 -22.261 1.00 0.00 O ATOM 755 ND2 ASN A 48 17.047 -12.940 -23.156 1.00 0.00 N ATOM 0 H ASN A 48 17.195 -15.235 -19.460 1.00 0.00 H new ATOM 0 HA ASN A 48 18.287 -13.544 -20.449 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.529 -12.321 -20.391 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.899 -11.503 -21.116 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.922 -13.395 -24.061 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.783 -12.245 -23.032 1.00 0.00 H new ATOM 762 N SER A 49 18.240 -12.746 -17.667 1.00 0.00 N ATOM 763 CA SER A 49 18.596 -11.965 -16.478 1.00 0.00 C ATOM 764 C SER A 49 17.523 -10.893 -16.125 1.00 0.00 C ATOM 765 O SER A 49 17.760 -10.044 -15.282 1.00 0.00 O ATOM 766 CB SER A 49 19.995 -11.322 -16.616 1.00 0.00 C ATOM 767 OG SER A 49 20.292 -10.978 -17.952 1.00 0.00 O ATOM 0 H SER A 49 18.304 -13.754 -17.527 1.00 0.00 H new ATOM 0 HA SER A 49 18.629 -12.670 -15.647 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.046 -10.429 -15.992 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.750 -12.015 -16.244 1.00 0.00 H new ATOM 0 HG SER A 49 20.094 -10.029 -18.097 1.00 0.00 H new ATOM 773 N VAL A 50 16.332 -10.980 -16.742 1.00 0.00 N ATOM 774 CA VAL A 50 15.289 -9.947 -16.568 1.00 0.00 C ATOM 775 C VAL A 50 14.824 -9.878 -15.124 1.00 0.00 C ATOM 776 O VAL A 50 14.558 -8.831 -14.658 1.00 0.00 O ATOM 777 CB VAL A 50 14.068 -10.203 -17.498 1.00 0.00 C ATOM 778 CG1 VAL A 50 12.933 -9.211 -17.234 1.00 0.00 C ATOM 779 CG2 VAL A 50 14.501 -10.156 -18.942 1.00 0.00 C ATOM 0 H VAL A 50 16.066 -11.746 -17.361 1.00 0.00 H new ATOM 0 HA VAL A 50 15.739 -8.993 -16.843 1.00 0.00 H new ATOM 0 HB VAL A 50 13.679 -11.197 -17.277 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.100 -9.424 -17.904 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.600 -9.305 -16.200 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.289 -8.196 -17.410 1.00 0.00 H new ATOM 0 HG21 VAL A 50 13.640 -10.336 -19.586 1.00 0.00 H new ATOM 0 HG22 VAL A 50 14.921 -9.175 -19.164 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.255 -10.923 -19.121 1.00 0.00 H new ATOM 789 N TRP A 51 14.581 -11.070 -14.550 1.00 0.00 N ATOM 790 CA TRP A 51 14.287 -11.395 -13.113 1.00 0.00 C ATOM 791 C TRP A 51 13.368 -12.619 -13.071 1.00 0.00 C ATOM 792 O TRP A 51 13.136 -13.249 -14.103 1.00 0.00 O ATOM 793 CB TRP A 51 13.739 -10.245 -12.208 1.00 0.00 C ATOM 794 CG TRP A 51 14.770 -9.181 -11.830 1.00 0.00 C ATOM 795 CD1 TRP A 51 14.830 -7.921 -12.301 1.00 0.00 C ATOM 796 CD2 TRP A 51 15.885 -9.300 -10.916 1.00 0.00 C ATOM 797 NE1 TRP A 51 15.919 -7.264 -11.809 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.568 -8.067 -10.949 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.372 -10.305 -10.092 1.00 0.00 C ATOM 800 CZ2 TRP A 51 17.706 -7.817 -10.212 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.511 -10.052 -9.341 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.166 -8.813 -9.411 1.00 0.00 C ATOM 0 H TRP A 51 14.582 -11.917 -15.118 1.00 0.00 H new ATOM 0 HA TRP A 51 15.260 -11.592 -12.662 1.00 0.00 H new ATOM 0 HB2 TRP A 51 12.909 -9.760 -12.723 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.336 -10.681 -11.294 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.110 -7.488 -12.979 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.197 -6.314 -12.055 1.00 0.00 H new ATOM 0 HE3 TRP A 51 15.876 -11.263 -10.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.213 -6.865 -10.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 17.900 -10.822 -8.691 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.053 -8.648 -8.817 1.00 0.00 H new ATOM 813 N THR A 52 12.860 -12.959 -11.904 1.00 0.00 N ATOM 814 CA THR A 52 11.954 -14.101 -11.761 1.00 0.00 C ATOM 815 C THR A 52 10.491 -13.639 -11.762 1.00 0.00 C ATOM 816 O THR A 52 9.569 -14.438 -11.645 1.00 0.00 O ATOM 817 CB THR A 52 12.252 -14.877 -10.474 1.00 0.00 C ATOM 818 OG1 THR A 52 11.960 -14.070 -9.324 1.00 0.00 O ATOM 819 CG2 THR A 52 13.675 -15.246 -10.448 1.00 0.00 C ATOM 0 H THR A 52 13.055 -12.465 -11.033 1.00 0.00 H new ATOM 0 HA THR A 52 12.115 -14.761 -12.613 1.00 0.00 H new ATOM 0 HB THR A 52 11.629 -15.771 -10.451 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.153 -14.579 -8.509 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.891 -15.798 -9.534 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.905 -15.870 -11.312 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.286 -14.344 -10.479 1.00 0.00 H new ATOM 827 N GLY A 53 10.308 -12.343 -11.886 1.00 0.00 N ATOM 828 CA GLY A 53 8.967 -11.756 -11.953 1.00 0.00 C ATOM 829 C GLY A 53 8.775 -10.625 -10.963 1.00 0.00 C ATOM 830 O GLY A 53 8.268 -9.568 -11.322 1.00 0.00 O ATOM 0 H GLY A 53 11.067 -11.664 -11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.787 -11.385 -12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.225 -12.531 -11.761 1.00 0.00 H new ATOM 834 N ALA A 54 9.223 -10.846 -9.722 1.00 0.00 N ATOM 835 CA ALA A 54 9.154 -9.833 -8.652 1.00 0.00 C ATOM 836 C ALA A 54 7.767 -9.175 -8.528 1.00 0.00 C ATOM 837 O ALA A 54 7.671 -7.991 -8.225 1.00 0.00 O ATOM 838 CB ALA A 54 10.208 -8.762 -8.890 1.00 0.00 C ATOM 0 H ALA A 54 9.643 -11.728 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 54 9.343 -10.354 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.154 -8.016 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.198 -9.219 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.029 -8.283 -9.853 1.00 0.00 H new ATOM 844 N LYS A 55 6.701 -9.949 -8.661 1.00 0.00 N ATOM 845 CA LYS A 55 5.375 -9.360 -8.627 1.00 0.00 C ATOM 846 C LYS A 55 4.492 -10.120 -7.690 1.00 0.00 C ATOM 847 O LYS A 55 4.723 -11.295 -7.437 1.00 0.00 O ATOM 848 CB LYS A 55 4.704 -9.388 -9.986 1.00 0.00 C ATOM 849 CG LYS A 55 4.294 -10.789 -10.425 1.00 0.00 C ATOM 850 CD LYS A 55 3.614 -10.763 -11.780 1.00 0.00 C ATOM 851 CE LYS A 55 2.268 -10.055 -11.692 1.00 0.00 C ATOM 852 NZ LYS A 55 1.472 -10.174 -12.961 1.00 0.00 N ATOM 0 H LYS A 55 6.726 -10.960 -8.790 1.00 0.00 H new ATOM 0 HA LYS A 55 5.507 -8.328 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.821 -8.749 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.382 -8.966 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.174 -11.431 -10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.620 -11.222 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.252 -10.254 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.472 -11.782 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.694 -10.474 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.429 -9.001 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.566 -9.676 -12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.006 -9.750 -13.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.293 -11.178 -13.166 1.00 0.00 H new ATOM 866 N ASP A 56 3.514 -9.393 -7.112 1.00 0.00 N ATOM 867 CA ASP A 56 2.496 -9.936 -6.177 1.00 0.00 C ATOM 868 C ASP A 56 3.134 -10.762 -5.066 1.00 0.00 C ATOM 869 O ASP A 56 2.500 -11.626 -4.453 1.00 0.00 O ATOM 870 CB ASP A 56 1.373 -10.728 -6.945 1.00 0.00 C ATOM 871 CG ASP A 56 1.850 -11.948 -7.747 1.00 0.00 C ATOM 872 OD1 ASP A 56 2.321 -12.931 -7.137 1.00 0.00 O ATOM 873 OD2 ASP A 56 1.712 -11.924 -8.996 1.00 0.00 O ATOM 0 H ASP A 56 3.404 -8.393 -7.282 1.00 0.00 H new ATOM 0 HA ASP A 56 2.009 -9.089 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.628 -11.060 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.871 -10.041 -7.627 1.00 0.00 H new ATOM 878 N ARG A 57 4.381 -10.426 -4.778 1.00 0.00 N ATOM 879 CA ARG A 57 5.191 -11.173 -3.833 1.00 0.00 C ATOM 880 C ARG A 57 4.605 -11.071 -2.409 1.00 0.00 C ATOM 881 O ARG A 57 4.546 -12.051 -1.672 1.00 0.00 O ATOM 882 CB ARG A 57 6.605 -10.580 -3.850 1.00 0.00 C ATOM 883 CG ARG A 57 7.253 -10.638 -5.250 1.00 0.00 C ATOM 884 CD ARG A 57 7.496 -12.041 -5.761 1.00 0.00 C ATOM 885 NE ARG A 57 8.584 -12.729 -5.096 1.00 0.00 N ATOM 886 CZ ARG A 57 8.782 -14.032 -5.211 1.00 0.00 C ATOM 887 NH1 ARG A 57 7.861 -14.783 -5.815 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.884 -14.592 -4.740 1.00 0.00 N ATOM 0 H ARG A 57 4.859 -9.627 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 57 5.208 -12.225 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.565 -9.544 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.231 -11.121 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.612 -10.111 -5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.203 -10.104 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.583 -12.624 -5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.707 -11.996 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 57 9.223 -12.186 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.013 -14.352 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.004 -15.789 -5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.592 -14.018 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.026 -15.598 -4.835 1.00 0.00 H new ATOM 902 N CYS A 58 4.166 -9.866 -2.065 1.00 0.00 N ATOM 903 CA CYS A 58 3.550 -9.558 -0.778 1.00 0.00 C ATOM 904 C CYS A 58 2.231 -8.879 -1.023 1.00 0.00 C ATOM 905 O CYS A 58 2.071 -8.173 -2.013 1.00 0.00 O ATOM 906 CB CYS A 58 4.472 -8.678 0.073 1.00 0.00 C ATOM 907 SG CYS A 58 6.086 -9.448 0.447 1.00 0.00 S ATOM 0 H CYS A 58 4.229 -9.059 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 58 3.384 -10.482 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.641 -7.735 -0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.968 -8.439 1.010 1.00 0.00 H new ATOM 912 N ARG A 59 1.284 -9.089 -0.158 1.00 0.00 N ATOM 913 CA ARG A 59 -0.033 -8.557 -0.399 1.00 0.00 C ATOM 914 C ARG A 59 -0.542 -7.767 0.810 1.00 0.00 C ATOM 915 O ARG A 59 -0.482 -8.242 1.925 1.00 0.00 O ATOM 916 CB ARG A 59 -0.924 -9.769 -0.713 1.00 0.00 C ATOM 917 CG ARG A 59 -0.493 -10.457 -2.016 1.00 0.00 C ATOM 918 CD ARG A 59 -1.251 -11.741 -2.314 1.00 0.00 C ATOM 919 NE ARG A 59 -2.681 -11.534 -2.542 1.00 0.00 N ATOM 920 CZ ARG A 59 -3.557 -12.534 -2.738 1.00 0.00 C ATOM 921 NH1 ARG A 59 -3.120 -13.774 -2.955 1.00 0.00 N ATOM 922 NH2 ARG A 59 -4.854 -12.286 -2.763 1.00 0.00 N ATOM 0 H ARG A 59 1.390 -9.616 0.709 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.035 -7.849 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.875 -10.482 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.962 -9.448 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.633 -9.763 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.573 -10.680 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.816 -12.215 -3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.120 -12.433 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.033 -10.577 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.118 -13.966 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.787 -14.531 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.194 -11.333 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.516 -13.047 -2.912 1.00 0.00 H new ATOM 936 N ARG A 60 -1.088 -6.573 0.556 1.00 0.00 N ATOM 937 CA ARG A 60 -1.681 -5.741 1.612 1.00 0.00 C ATOM 938 C ARG A 60 -3.090 -6.211 1.868 1.00 0.00 C ATOM 939 O ARG A 60 -3.552 -7.170 1.261 1.00 0.00 O ATOM 940 CB ARG A 60 -1.814 -4.294 1.186 1.00 0.00 C ATOM 941 CG ARG A 60 -1.823 -4.097 -0.299 1.00 0.00 C ATOM 942 CD ARG A 60 -2.717 -2.972 -0.657 1.00 0.00 C ATOM 943 NE ARG A 60 -4.107 -3.380 -0.390 1.00 0.00 N ATOM 944 CZ ARG A 60 -4.848 -4.071 -1.292 1.00 0.00 C ATOM 945 NH1 ARG A 60 -4.476 -4.094 -2.574 1.00 0.00 N ATOM 946 NH2 ARG A 60 -5.972 -4.684 -0.923 1.00 0.00 N ATOM 0 H ARG A 60 -1.132 -6.159 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.031 -5.822 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.735 -3.886 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.990 -3.722 1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.812 -3.895 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.158 -5.009 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.463 -2.086 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.594 -2.709 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.528 -3.134 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.638 -3.594 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.029 -4.612 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.284 -4.637 0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.521 -5.200 -1.611 1.00 0.00 H new ATOM 960 N LYS A 61 -3.790 -5.491 2.713 1.00 0.00 N ATOM 961 CA LYS A 61 -5.162 -5.806 3.010 1.00 0.00 C ATOM 962 C LYS A 61 -6.177 -4.882 2.431 1.00 0.00 C ATOM 963 O LYS A 61 -5.900 -3.735 2.088 1.00 0.00 O ATOM 964 CB LYS A 61 -5.481 -6.057 4.453 1.00 0.00 C ATOM 965 CG LYS A 61 -5.253 -7.484 4.865 1.00 0.00 C ATOM 966 CD LYS A 61 -5.494 -7.669 6.328 1.00 0.00 C ATOM 967 CE LYS A 61 -7.008 -7.609 6.609 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.336 -7.979 8.016 1.00 0.00 N ATOM 0 H LYS A 61 -3.426 -4.677 3.209 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.246 -6.759 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.869 -5.403 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.522 -5.792 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.915 -8.139 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.231 -7.777 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.090 -8.627 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.977 -6.894 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.374 -6.603 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.529 -8.282 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.306 -8.351 8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.671 -8.707 8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.259 -7.138 8.623 1.00 0.00 H new ATOM 982 N SER A 62 -7.351 -5.466 2.213 1.00 0.00 N ATOM 983 CA SER A 62 -8.529 -4.781 1.763 1.00 0.00 C ATOM 984 C SER A 62 -9.032 -3.817 2.857 1.00 0.00 C ATOM 985 O SER A 62 -9.075 -4.179 4.033 1.00 0.00 O ATOM 986 CB SER A 62 -9.600 -5.848 1.524 1.00 0.00 C ATOM 987 OG SER A 62 -10.831 -5.281 1.113 1.00 0.00 O ATOM 0 H SER A 62 -7.500 -6.465 2.354 1.00 0.00 H new ATOM 0 HA SER A 62 -8.315 -4.209 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.252 -6.548 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.752 -6.421 2.439 1.00 0.00 H new ATOM 0 HG SER A 62 -11.488 -5.994 0.969 1.00 0.00 H new ATOM 993 N CYS A 63 -9.459 -2.628 2.457 1.00 0.00 N ATOM 994 CA CYS A 63 -10.037 -1.667 3.390 1.00 0.00 C ATOM 995 C CYS A 63 -11.531 -1.856 3.502 1.00 0.00 C ATOM 996 O CYS A 63 -12.178 -2.322 2.571 1.00 0.00 O ATOM 997 CB CYS A 63 -9.648 -0.227 3.015 1.00 0.00 C ATOM 998 SG CYS A 63 -7.933 0.182 3.489 1.00 0.00 S ATOM 0 H CYS A 63 -9.417 -2.304 1.491 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.621 -1.853 4.380 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.766 -0.091 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.331 0.469 3.502 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.080 -1.549 4.658 1.00 0.00 N ATOM 1004 CA ARG A 64 -13.496 -1.746 4.877 1.00 0.00 C ATOM 1005 C ARG A 64 -14.047 -0.536 5.603 1.00 0.00 C ATOM 1006 O ARG A 64 -13.371 0.029 6.473 1.00 0.00 O ATOM 1007 CB ARG A 64 -13.729 -3.041 5.714 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.315 -2.987 7.203 1.00 0.00 C ATOM 1009 CD ARG A 64 -11.805 -2.879 7.409 1.00 0.00 C ATOM 1010 NE ARG A 64 -11.451 -2.866 8.830 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.236 -1.760 9.554 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -11.465 -0.551 9.024 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -10.828 -1.867 10.831 1.00 0.00 N ATOM 0 H ARG A 64 -11.572 -1.165 5.455 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.010 -1.861 3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.788 -3.293 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.184 -3.857 5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.801 -2.134 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.680 -3.882 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.310 -3.717 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.437 -1.969 6.934 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.362 -3.765 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.804 -0.470 8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.300 0.289 9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.683 -2.788 11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.663 -1.027 11.386 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.250 -0.120 5.249 1.00 0.00 N ATOM 1028 CA ASN A 65 -15.872 1.012 5.896 1.00 0.00 C ATOM 1029 C ASN A 65 -17.259 0.662 6.377 1.00 0.00 C ATOM 1030 O ASN A 65 -18.244 1.054 5.768 1.00 0.00 O ATOM 1031 CB ASN A 65 -15.959 2.204 4.944 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.220 3.514 5.659 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -17.350 3.880 5.940 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.164 4.220 5.930 1.00 0.00 N ATOM 0 H ASN A 65 -15.813 -0.552 4.516 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.252 1.280 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.028 2.282 4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.754 2.027 4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.259 5.122 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.239 3.873 5.676 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.374 -0.144 7.428 1.00 0.00 N ATOM 1042 CA PRO A 66 -18.660 -0.381 8.032 1.00 0.00 C ATOM 1043 C PRO A 66 -19.211 0.823 8.870 1.00 0.00 C ATOM 1044 O PRO A 66 -20.419 0.915 9.033 1.00 0.00 O ATOM 1045 CB PRO A 66 -18.446 -1.610 8.920 1.00 0.00 C ATOM 1046 CG PRO A 66 -16.972 -1.650 9.200 1.00 0.00 C ATOM 1047 CD PRO A 66 -16.291 -0.940 8.057 1.00 0.00 C ATOM 0 HA PRO A 66 -19.416 -0.526 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.019 -1.531 9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.775 -2.520 8.417 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.745 -1.162 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.622 -2.679 9.279 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.481 -0.302 8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.855 -1.647 7.352 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.344 1.752 9.470 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.870 2.849 10.293 1.00 0.00 C ATOM 1057 C PRO A 67 -19.865 3.742 9.564 1.00 0.00 C ATOM 1058 O PRO A 67 -20.934 4.026 10.107 1.00 0.00 O ATOM 1059 CB PRO A 67 -17.602 3.670 10.631 1.00 0.00 C ATOM 1060 CG PRO A 67 -16.613 3.271 9.601 1.00 0.00 C ATOM 1061 CD PRO A 67 -16.887 1.833 9.363 1.00 0.00 C ATOM 0 HA PRO A 67 -19.418 2.462 11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.802 4.741 10.595 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.241 3.447 11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.733 3.855 8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.592 3.429 9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.536 1.513 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.393 1.201 10.101 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.569 4.053 8.289 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.365 5.018 7.476 1.00 0.00 C ATOM 1071 C ASP A 68 -20.730 6.308 8.248 1.00 0.00 C ATOM 1072 O ASP A 68 -20.681 6.378 9.477 1.00 0.00 O ATOM 1073 CB ASP A 68 -21.671 4.399 6.950 1.00 0.00 C ATOM 1074 CG ASP A 68 -21.479 3.403 5.831 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -20.861 3.773 4.811 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -21.991 2.260 5.953 1.00 0.00 O ATOM 0 H ASP A 68 -18.778 3.650 7.787 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.710 5.274 6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.184 3.906 7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.324 5.199 6.601 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.007 7.376 7.545 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.593 8.510 8.120 1.00 0.00 C ATOM 1083 C PRO A 69 -23.106 8.276 8.322 1.00 0.00 C ATOM 1084 O PRO A 69 -23.694 7.425 7.655 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.205 9.642 7.174 1.00 0.00 C ATOM 1086 CG PRO A 69 -21.096 9.005 5.842 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.948 7.503 6.081 1.00 0.00 C ATOM 0 HA PRO A 69 -21.250 8.755 9.125 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.956 10.432 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.261 10.100 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.980 9.215 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.238 9.396 5.296 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.746 6.940 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.006 7.125 5.684 1.00 0.00 H new ATOM 1095 N VAL A 70 -23.725 9.018 9.210 1.00 0.00 N ATOM 1096 CA VAL A 70 -25.174 8.879 9.443 1.00 0.00 C ATOM 1097 C VAL A 70 -25.905 9.251 8.143 1.00 0.00 C ATOM 1098 O VAL A 70 -26.861 8.600 7.724 1.00 0.00 O ATOM 1099 CB VAL A 70 -25.667 9.758 10.627 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -27.188 9.701 10.762 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -24.990 9.327 11.924 1.00 0.00 C ATOM 0 H VAL A 70 -23.267 9.723 9.787 1.00 0.00 H new ATOM 0 HA VAL A 70 -25.392 7.848 9.720 1.00 0.00 H new ATOM 0 HB VAL A 70 -25.393 10.792 10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -27.503 10.325 11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -27.649 10.065 9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -27.499 8.672 10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -25.345 9.951 12.744 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -25.231 8.284 12.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -23.910 9.437 11.825 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.442 10.319 7.552 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.928 10.834 6.264 1.00 0.00 C ATOM 1113 C ASN A 71 -25.701 9.841 5.091 1.00 0.00 C ATOM 1114 O ASN A 71 -26.553 9.716 4.215 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.287 12.203 5.994 1.00 0.00 C ATOM 1116 CG ASN A 71 -23.768 12.183 6.089 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -23.111 11.268 5.635 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -23.216 13.154 6.762 1.00 0.00 N ATOM 0 H ASN A 71 -24.693 10.885 7.951 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.010 10.953 6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.578 12.544 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.680 12.928 6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -22.208 13.158 6.918 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -23.792 13.910 7.132 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.557 9.142 5.081 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.281 8.190 3.987 1.00 0.00 C ATOM 1127 C GLY A 72 -23.632 8.861 2.801 1.00 0.00 C ATOM 1128 O GLY A 72 -23.760 8.414 1.668 1.00 0.00 O ATOM 0 H GLY A 72 -23.828 9.210 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.631 7.395 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.213 7.720 3.672 1.00 0.00 H new ATOM 1132 N MET A 73 -22.943 9.949 3.086 1.00 0.00 N ATOM 1133 CA MET A 73 -22.354 10.828 2.079 1.00 0.00 C ATOM 1134 C MET A 73 -20.838 10.529 1.773 1.00 0.00 C ATOM 1135 O MET A 73 -20.122 11.393 1.261 1.00 0.00 O ATOM 1136 CB MET A 73 -22.521 12.242 2.581 1.00 0.00 C ATOM 1137 CG MET A 73 -23.973 12.677 2.617 1.00 0.00 C ATOM 1138 SD MET A 73 -24.221 14.305 3.330 1.00 0.00 S ATOM 1139 CE MET A 73 -23.419 15.309 2.125 1.00 0.00 C ATOM 0 H MET A 73 -22.770 10.258 4.043 1.00 0.00 H new ATOM 0 HA MET A 73 -22.867 10.662 1.132 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.096 12.322 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.957 12.921 1.941 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.370 12.670 1.602 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.547 11.948 3.189 1.00 0.00 H new ATOM 0 HE1 MET A 73 -23.678 16.355 2.292 1.00 0.00 H new ATOM 0 HE2 MET A 73 -22.339 15.185 2.208 1.00 0.00 H new ATOM 0 HE3 MET A 73 -23.743 15.010 1.128 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.365 9.318 2.086 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.950 8.938 1.807 1.00 0.00 C ATOM 1151 C VAL A 74 -18.664 8.729 0.316 1.00 0.00 C ATOM 1152 O VAL A 74 -19.424 8.084 -0.405 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.506 7.635 2.580 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -17.127 7.161 2.124 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.457 7.906 4.041 1.00 0.00 C ATOM 0 H VAL A 74 -20.921 8.585 2.526 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.371 9.790 2.164 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.237 6.856 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.851 6.262 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -17.153 6.939 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.392 7.943 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -18.150 7.003 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.741 8.703 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.444 8.211 4.388 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.571 9.332 -0.136 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.060 9.144 -1.490 1.00 0.00 C ATOM 1167 C HIS A 75 -15.689 8.516 -1.422 1.00 0.00 C ATOM 1168 O HIS A 75 -14.909 8.856 -0.541 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.990 10.481 -2.243 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.286 10.884 -2.867 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.592 10.631 -4.191 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.373 11.488 -2.345 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.804 11.065 -4.450 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -20.305 11.589 -3.352 1.00 0.00 N ATOM 0 H HIS A 75 -17.010 9.969 0.429 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.740 8.487 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.671 11.261 -1.552 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.228 10.412 -3.020 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.490 11.829 -1.327 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.306 11.002 -5.404 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.233 12.003 -3.262 1.00 0.00 H new ATOM 1182 N VAL A 76 -15.366 7.624 -2.334 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.056 7.022 -2.270 1.00 0.00 C ATOM 1184 C VAL A 76 -13.273 7.285 -3.546 1.00 0.00 C ATOM 1185 O VAL A 76 -13.658 6.886 -4.642 1.00 0.00 O ATOM 1186 CB VAL A 76 -14.196 5.500 -2.035 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -15.205 4.870 -3.007 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -12.853 4.830 -2.121 1.00 0.00 C ATOM 0 H VAL A 76 -15.965 7.311 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.508 7.469 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.587 5.347 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.278 3.800 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.182 5.332 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -14.872 5.031 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.969 3.759 -1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.425 4.998 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.190 5.246 -1.363 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.169 7.980 -3.363 1.00 0.00 N ATOM 1199 CA ILE A 77 -11.285 8.366 -4.447 1.00 0.00 C ATOM 1200 C ILE A 77 -10.620 7.154 -5.140 1.00 0.00 C ATOM 1201 O ILE A 77 -10.548 7.075 -6.371 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.196 9.308 -3.915 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -10.810 10.642 -3.469 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.151 9.566 -4.980 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -9.828 11.513 -2.722 1.00 0.00 C ATOM 0 H ILE A 77 -11.855 8.297 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.898 8.870 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.723 8.828 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.175 11.180 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.673 10.446 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.387 10.236 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.690 8.623 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.623 10.025 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.315 12.443 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.482 10.990 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.977 11.736 -3.365 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.130 6.205 -4.316 1.00 0.00 N ATOM 1218 CA LYS A 78 -9.307 5.089 -4.836 1.00 0.00 C ATOM 1219 C LYS A 78 -9.968 3.687 -4.812 1.00 0.00 C ATOM 1220 O LYS A 78 -9.303 2.693 -5.073 1.00 0.00 O ATOM 1221 CB LYS A 78 -7.937 5.067 -4.168 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.155 6.348 -4.389 1.00 0.00 C ATOM 1223 CD LYS A 78 -6.840 6.573 -5.863 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.062 7.854 -6.055 1.00 0.00 C ATOM 1225 NZ LYS A 78 -5.718 8.106 -7.484 1.00 0.00 N ATOM 0 H LYS A 78 -10.284 6.186 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.197 5.307 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.062 4.903 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.363 4.225 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.727 7.193 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.226 6.309 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.265 5.731 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.767 6.616 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.647 8.691 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.146 7.810 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.185 8.996 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.137 7.322 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.591 8.176 -8.044 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.260 3.616 -4.506 1.00 0.00 N ATOM 1240 CA GLY A 79 -11.968 2.315 -4.525 1.00 0.00 C ATOM 1241 C GLY A 79 -11.861 1.484 -3.238 1.00 0.00 C ATOM 1242 O GLY A 79 -12.112 0.282 -3.257 1.00 0.00 O ATOM 0 H GLY A 79 -11.837 4.416 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.022 2.498 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.579 1.722 -5.353 1.00 0.00 H new ATOM 1246 N ILE A 80 -11.499 2.136 -2.124 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.424 1.486 -0.794 1.00 0.00 C ATOM 1248 C ILE A 80 -10.272 0.458 -0.708 1.00 0.00 C ATOM 1249 O ILE A 80 -10.464 -0.758 -0.829 1.00 0.00 O ATOM 1250 CB ILE A 80 -12.799 0.817 -0.406 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -13.953 1.842 -0.366 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -12.704 0.114 0.932 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -13.772 2.945 0.653 1.00 0.00 C ATOM 0 H ILE A 80 -11.250 3.125 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.209 2.274 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.018 0.086 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.059 2.290 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -14.883 1.316 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.666 -0.338 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.940 -0.662 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.437 0.836 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.627 3.620 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.698 2.511 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.861 3.500 0.430 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.075 0.981 -0.529 1.00 0.00 N ATOM 1266 CA GLN A 81 -7.873 0.167 -0.443 1.00 0.00 C ATOM 1267 C GLN A 81 -6.819 0.862 0.478 1.00 0.00 C ATOM 1268 O GLN A 81 -7.000 2.005 0.873 1.00 0.00 O ATOM 1269 CB GLN A 81 -7.247 0.001 -1.816 1.00 0.00 C ATOM 1270 CG GLN A 81 -6.082 -0.931 -1.793 1.00 0.00 C ATOM 1271 CD GLN A 81 -5.090 -0.701 -2.869 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -3.854 -0.904 -2.483 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -5.402 -0.272 -3.974 1.00 0.00 N flip ATOM 0 H GLN A 81 -8.906 1.983 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.155 -0.804 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.997 -0.374 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.925 0.974 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.581 -0.842 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.450 -1.954 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.385 -0.137 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.678 -0.050 -4.658 1.00 0.00 H new ATOM 1282 N PHE A 82 -5.731 0.141 0.837 1.00 0.00 N ATOM 1283 CA PHE A 82 -4.602 0.756 1.526 1.00 0.00 C ATOM 1284 C PHE A 82 -3.991 1.805 0.605 1.00 0.00 C ATOM 1285 O PHE A 82 -3.676 1.525 -0.543 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.566 -0.349 1.828 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.242 0.138 2.356 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.175 1.121 3.326 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.053 -0.421 1.884 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -0.957 1.557 3.810 1.00 0.00 C ATOM 1291 CE2 PHE A 82 0.171 0.011 2.369 1.00 0.00 C ATOM 1292 CZ PHE A 82 0.219 1.006 3.331 1.00 0.00 C ATOM 0 H PHE A 82 -5.623 -0.857 0.657 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.916 1.230 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.996 -1.039 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.388 -0.917 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.087 1.554 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.088 -1.197 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.922 2.330 4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.086 -0.427 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.171 1.351 3.706 1.00 0.00 H new ATOM 1302 N GLY A 83 -3.820 3.001 1.141 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.337 4.131 0.358 1.00 0.00 C ATOM 1304 C GLY A 83 -4.501 4.985 -0.184 1.00 0.00 C ATOM 1305 O GLY A 83 -4.302 6.101 -0.662 1.00 0.00 O ATOM 0 H GLY A 83 -4.009 3.218 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.687 4.751 0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.734 3.767 -0.474 1.00 0.00 H new ATOM 1309 N SER A 84 -5.711 4.429 -0.107 1.00 0.00 N ATOM 1310 CA SER A 84 -6.936 5.103 -0.545 1.00 0.00 C ATOM 1311 C SER A 84 -7.374 6.203 0.405 1.00 0.00 C ATOM 1312 O SER A 84 -7.194 6.106 1.620 1.00 0.00 O ATOM 1313 CB SER A 84 -8.068 4.099 -0.745 1.00 0.00 C ATOM 1314 OG SER A 84 -9.287 4.729 -1.105 1.00 0.00 O ATOM 0 H SER A 84 -5.870 3.492 0.263 1.00 0.00 H new ATOM 0 HA SER A 84 -6.703 5.576 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.786 3.387 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.213 3.530 0.173 1.00 0.00 H new ATOM 0 HG SER A 84 -9.662 4.288 -1.895 1.00 0.00 H new ATOM 1320 N GLN A 85 -7.960 7.243 -0.155 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.535 8.310 0.629 1.00 0.00 C ATOM 1322 C GLN A 85 -10.027 8.443 0.294 1.00 0.00 C ATOM 1323 O GLN A 85 -10.424 8.325 -0.872 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.789 9.612 0.385 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.319 10.786 1.178 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.465 12.030 0.972 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.316 11.939 0.555 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -8.012 13.183 1.304 1.00 0.00 N ATOM 0 H GLN A 85 -8.049 7.369 -1.163 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.440 8.075 1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.737 9.467 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.838 9.853 -0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.346 10.995 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.342 10.530 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.972 13.212 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.475 14.046 1.218 1.00 0.00 H new ATOM 1337 N ILE A 86 -10.836 8.604 1.313 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.288 8.710 1.152 1.00 0.00 C ATOM 1339 C ILE A 86 -12.804 9.942 1.836 1.00 0.00 C ATOM 1340 O ILE A 86 -12.150 10.474 2.705 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.002 7.514 1.740 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -12.690 7.430 3.229 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.608 6.246 1.010 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.467 6.398 3.940 1.00 0.00 C ATOM 0 H ILE A 86 -10.519 8.667 2.280 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.485 8.758 0.081 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.079 7.630 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.627 7.225 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -12.885 8.399 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.132 5.396 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.876 6.334 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.532 6.094 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.191 6.397 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.531 6.613 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.254 5.420 3.508 1.00 0.00 H new ATOM 1356 N LYS A 87 -13.983 10.391 1.470 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.482 11.628 2.025 1.00 0.00 C ATOM 1358 C LYS A 87 -15.612 11.455 2.988 1.00 0.00 C ATOM 1359 O LYS A 87 -16.399 10.519 2.899 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.919 12.561 0.974 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.836 12.927 0.017 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.674 13.619 0.633 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.642 13.938 -0.442 1.00 0.00 C ATOM 1364 NZ LYS A 87 -10.466 14.647 0.099 1.00 0.00 N ATOM 0 H LYS A 87 -14.603 9.930 0.804 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.631 12.035 2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.745 12.113 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.303 13.468 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.483 12.021 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.255 13.569 -0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.001 14.537 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.229 12.989 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.318 13.012 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.106 14.548 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.603 14.283 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.555 15.665 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.411 14.494 1.126 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.656 12.375 3.899 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.703 12.510 4.874 1.00 0.00 C ATOM 1380 C TYR A 88 -17.346 13.852 4.795 1.00 0.00 C ATOM 1381 O TYR A 88 -16.821 14.838 5.290 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.218 12.190 6.292 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.001 10.727 6.504 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.098 9.890 6.744 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.745 10.160 6.441 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.934 8.543 6.918 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.580 8.801 6.613 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.678 8.003 6.851 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.508 6.656 7.033 1.00 0.00 O ATOM 0 H TYR A 88 -14.932 13.087 3.991 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.464 11.768 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.287 12.724 6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.949 12.554 7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.090 10.315 6.793 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.884 10.785 6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.789 7.911 7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.594 8.364 6.561 1.00 0.00 H new ATOM 0 HH TYR A 88 -15.077 6.495 7.898 1.00 0.00 H new ATOM 1399 N SER A 89 -18.468 13.895 4.134 1.00 0.00 N ATOM 1400 CA SER A 89 -19.227 15.108 4.044 1.00 0.00 C ATOM 1401 C SER A 89 -20.563 14.935 4.743 1.00 0.00 C ATOM 1402 O SER A 89 -21.308 14.029 4.440 1.00 0.00 O ATOM 1403 CB SER A 89 -19.432 15.485 2.581 1.00 0.00 C ATOM 1404 OG SER A 89 -20.259 16.625 2.455 1.00 0.00 O ATOM 0 H SER A 89 -18.878 13.098 3.647 1.00 0.00 H new ATOM 0 HA SER A 89 -18.680 15.912 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 89 -18.466 15.680 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.880 14.647 2.047 1.00 0.00 H new ATOM 0 HG SER A 89 -20.371 16.844 1.507 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.823 15.763 5.710 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.114 15.775 6.397 1.00 0.00 C ATOM 1412 C CYS A 90 -23.174 16.563 5.635 1.00 0.00 C ATOM 1413 O CYS A 90 -24.359 16.232 5.658 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.904 16.463 7.711 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.562 15.812 8.747 1.00 0.00 S ATOM 0 H CYS A 90 -20.159 16.455 6.057 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.462 14.747 6.495 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.708 17.518 7.519 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.833 16.409 8.279 1.00 0.00 H new ATOM 1420 N THR A 91 -22.729 17.643 5.039 1.00 0.00 N ATOM 1421 CA THR A 91 -23.607 18.645 4.458 1.00 0.00 C ATOM 1422 C THR A 91 -22.829 19.556 3.476 1.00 0.00 C ATOM 1423 O THR A 91 -21.611 19.535 3.459 1.00 0.00 O ATOM 1424 CB THR A 91 -24.219 19.465 5.626 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.182 18.680 6.319 1.00 0.00 O ATOM 1426 CG2 THR A 91 -24.835 20.761 5.181 1.00 0.00 C ATOM 0 H THR A 91 -21.737 17.858 4.940 1.00 0.00 H new ATOM 0 HA THR A 91 -24.400 18.170 3.881 1.00 0.00 H new ATOM 0 HB THR A 91 -23.396 19.723 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.214 17.782 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.244 21.285 6.045 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.074 21.381 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.634 20.558 4.468 1.00 0.00 H new ATOM 1434 N LYS A 92 -23.528 20.315 2.649 1.00 0.00 N ATOM 1435 CA LYS A 92 -22.891 21.304 1.793 1.00 0.00 C ATOM 1436 C LYS A 92 -22.184 22.427 2.594 1.00 0.00 C ATOM 1437 O LYS A 92 -21.026 22.760 2.350 1.00 0.00 O ATOM 1438 CB LYS A 92 -23.984 22.041 1.138 1.00 0.00 C ATOM 1439 CG LYS A 92 -23.525 23.061 0.165 1.00 0.00 C ATOM 1440 CD LYS A 92 -24.700 23.742 -0.376 1.00 0.00 C ATOM 1441 CE LYS A 92 -24.314 24.791 -1.382 1.00 0.00 C ATOM 1442 NZ LYS A 92 -25.495 25.503 -1.937 1.00 0.00 N ATOM 0 H LYS A 92 -24.542 20.265 2.551 1.00 0.00 H new ATOM 0 HA LYS A 92 -22.187 20.774 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -24.632 21.330 0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -24.589 22.529 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -22.861 23.777 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -22.956 22.591 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -25.361 23.013 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -25.260 24.204 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -23.645 25.513 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.759 24.324 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -25.179 26.216 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -26.122 24.820 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -26.012 25.972 -1.166 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.913 22.974 3.570 1.00 0.00 N ATOM 1457 CA GLY A 93 -22.448 24.125 4.302 1.00 0.00 C ATOM 1458 C GLY A 93 -22.349 23.839 5.756 1.00 0.00 C ATOM 1459 O GLY A 93 -23.179 24.289 6.548 1.00 0.00 O ATOM 0 H GLY A 93 -23.827 22.628 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.473 24.430 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -23.129 24.961 4.140 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.367 23.079 6.102 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.180 22.627 7.494 1.00 0.00 C ATOM 1465 C TYR A 94 -19.670 22.442 7.774 1.00 0.00 C ATOM 1466 O TYR A 94 -18.858 22.449 6.852 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.834 21.275 7.679 1.00 0.00 C ATOM 1468 CG TYR A 94 -20.913 20.167 7.258 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.478 20.051 5.953 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.374 19.325 8.200 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.548 19.103 5.590 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.431 18.388 7.847 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.029 18.279 6.538 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.103 17.335 6.194 1.00 0.00 O ATOM 0 H TYR A 94 -20.658 22.739 5.453 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.617 23.367 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.113 21.143 8.724 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.753 21.229 7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -20.875 20.717 5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.694 19.400 9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.234 19.015 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.007 17.738 8.598 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.222 17.756 6.113 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.307 22.312 9.038 1.00 0.00 N ATOM 1485 CA ARG A 95 -17.919 22.075 9.404 1.00 0.00 C ATOM 1486 C ARG A 95 -17.770 20.611 9.815 1.00 0.00 C ATOM 1487 O ARG A 95 -18.629 20.087 10.518 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.593 22.902 10.631 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.723 24.355 10.367 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.413 25.216 11.572 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.612 26.642 11.257 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.694 27.493 10.779 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -15.424 27.126 10.606 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -17.062 28.735 10.465 1.00 0.00 N ATOM 0 H ARG A 95 -19.951 22.366 9.827 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.269 22.328 8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -18.259 22.620 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.577 22.682 10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.054 24.630 9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.738 24.566 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.055 24.929 12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.384 25.049 11.890 1.00 0.00 H new ATOM 0 HE ARG A 95 -18.545 27.020 11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.131 26.177 10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.745 27.794 10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.031 29.027 10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.374 29.394 10.100 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.751 19.933 9.387 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.489 18.652 10.018 1.00 0.00 C ATOM 1510 C LEU A 96 -15.248 18.830 10.874 1.00 0.00 C ATOM 1511 O LEU A 96 -14.187 19.208 10.387 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.331 17.530 8.986 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.328 16.121 9.573 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.864 15.117 8.590 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -14.958 15.723 10.013 1.00 0.00 C ATOM 0 H LEU A 96 -16.110 20.213 8.645 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.332 18.347 10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.141 17.605 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.400 17.684 8.441 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.983 16.134 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.848 14.124 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.888 15.379 8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.245 15.119 7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.987 14.715 10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.281 15.745 9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.604 16.418 10.775 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.414 18.568 12.171 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.384 18.867 13.165 1.00 0.00 C ATOM 1529 C ILE A 97 -13.099 18.039 12.974 1.00 0.00 C ATOM 1530 O ILE A 97 -11.989 18.565 13.045 1.00 0.00 O ATOM 1531 CB ILE A 97 -14.936 18.647 14.589 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.240 19.453 14.790 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -13.892 19.052 15.646 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -16.106 20.962 14.636 1.00 0.00 C ATOM 0 H ILE A 97 -16.258 18.147 12.559 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.114 19.914 13.024 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.156 17.586 14.711 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -16.981 19.096 14.075 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.629 19.240 15.786 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.301 18.889 16.643 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.993 18.448 15.520 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -13.641 20.106 15.525 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.076 21.432 14.796 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -15.394 21.341 15.369 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.752 21.195 13.632 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.272 16.746 12.729 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.142 15.845 12.583 1.00 0.00 C ATOM 1548 C GLY A 98 -11.760 15.567 11.146 1.00 0.00 C ATOM 1549 O GLY A 98 -11.516 16.488 10.360 1.00 0.00 O ATOM 0 H GLY A 98 -14.184 16.301 12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.282 16.270 13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.377 14.901 13.075 1.00 0.00 H new ATOM 1553 N SER A 99 -11.698 14.290 10.807 1.00 0.00 N ATOM 1554 CA SER A 99 -11.280 13.866 9.481 1.00 0.00 C ATOM 1555 C SER A 99 -12.401 14.020 8.421 1.00 0.00 C ATOM 1556 O SER A 99 -13.318 13.196 8.350 1.00 0.00 O ATOM 1557 CB SER A 99 -10.853 12.395 9.563 1.00 0.00 C ATOM 1558 OG SER A 99 -11.851 11.624 10.226 1.00 0.00 O ATOM 0 H SER A 99 -11.934 13.524 11.437 1.00 0.00 H new ATOM 0 HA SER A 99 -10.456 14.505 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.687 12.002 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.907 12.314 10.098 1.00 0.00 H new ATOM 0 HG SER A 99 -12.731 11.836 9.850 1.00 0.00 H new ATOM 1564 N SER A 100 -12.333 15.107 7.641 1.00 0.00 N ATOM 1565 CA SER A 100 -13.225 15.351 6.492 1.00 0.00 C ATOM 1566 C SER A 100 -12.982 14.336 5.385 1.00 0.00 C ATOM 1567 O SER A 100 -13.838 14.091 4.556 1.00 0.00 O ATOM 1568 CB SER A 100 -13.048 16.780 5.978 1.00 0.00 C ATOM 1569 OG SER A 100 -11.700 17.009 5.581 1.00 0.00 O ATOM 0 H SER A 100 -11.651 15.851 7.789 1.00 0.00 H new ATOM 0 HA SER A 100 -14.256 15.231 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.715 16.953 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.328 17.489 6.757 1.00 0.00 H new ATOM 0 HG SER A 100 -11.607 17.928 5.254 1.00 0.00 H new ATOM 1575 N SER A 101 -11.793 13.815 5.340 1.00 0.00 N ATOM 1576 CA SER A 101 -11.485 12.759 4.442 1.00 0.00 C ATOM 1577 C SER A 101 -10.622 11.754 5.198 1.00 0.00 C ATOM 1578 O SER A 101 -9.685 12.142 5.888 1.00 0.00 O ATOM 1579 CB SER A 101 -10.755 13.337 3.209 1.00 0.00 C ATOM 1580 OG SER A 101 -10.463 12.346 2.264 1.00 0.00 O ATOM 0 H SER A 101 -11.014 14.114 5.927 1.00 0.00 H new ATOM 0 HA SER A 101 -12.383 12.257 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.374 14.107 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.831 13.819 3.527 1.00 0.00 H new ATOM 0 HG SER A 101 -10.889 11.505 2.530 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.916 10.494 5.054 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.200 9.464 5.771 1.00 0.00 C ATOM 1588 C ALA A 102 -9.163 8.825 4.870 1.00 0.00 C ATOM 1589 O ALA A 102 -9.351 8.748 3.651 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.158 8.426 6.308 1.00 0.00 C ATOM 0 H ALA A 102 -11.654 10.147 4.441 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.687 9.920 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.600 7.659 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.866 8.901 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.700 7.968 5.480 1.00 0.00 H new ATOM 1596 N THR A 103 -8.057 8.390 5.454 1.00 0.00 N ATOM 1597 CA THR A 103 -6.975 7.796 4.689 1.00 0.00 C ATOM 1598 C THR A 103 -6.652 6.384 5.222 1.00 0.00 C ATOM 1599 O THR A 103 -6.513 6.201 6.428 1.00 0.00 O ATOM 1600 CB THR A 103 -5.709 8.684 4.784 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.035 10.009 4.322 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.603 8.142 3.896 1.00 0.00 C ATOM 0 H THR A 103 -7.886 8.438 6.458 1.00 0.00 H new ATOM 0 HA THR A 103 -7.289 7.721 3.648 1.00 0.00 H new ATOM 0 HB THR A 103 -5.371 8.695 5.820 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.241 10.580 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.724 8.781 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.347 7.130 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.943 8.125 2.861 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.564 5.394 4.338 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.213 4.030 4.758 1.00 0.00 C ATOM 1612 C CYS A 104 -4.720 3.826 4.897 1.00 0.00 C ATOM 1613 O CYS A 104 -3.939 4.054 3.969 1.00 0.00 O ATOM 1614 CB CYS A 104 -6.829 2.984 3.807 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.108 1.913 4.562 1.00 0.00 S ATOM 0 H CYS A 104 -6.728 5.502 3.337 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.640 3.889 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.268 3.503 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.030 2.352 3.419 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.348 3.374 6.095 1.00 0.00 N ATOM 1621 CA ILE A 105 -2.974 3.102 6.483 1.00 0.00 C ATOM 1622 C ILE A 105 -2.873 1.718 7.118 1.00 0.00 C ATOM 1623 O ILE A 105 -3.883 1.146 7.532 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.405 4.164 7.468 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.188 4.160 8.810 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.405 5.549 6.821 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.471 4.955 8.795 1.00 0.00 C ATOM 0 H ILE A 105 -5.018 3.183 6.840 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.376 3.145 5.573 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.372 3.901 7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.419 3.129 9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.541 4.555 9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.004 6.279 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.786 5.531 5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.425 5.825 6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.948 4.894 9.773 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.251 5.997 8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.142 4.549 8.038 1.00 0.00 H new ATOM 1639 N ILE A 106 -1.667 1.178 7.209 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.497 -0.145 7.812 1.00 0.00 C ATOM 1641 C ILE A 106 -1.459 -0.023 9.333 1.00 0.00 C ATOM 1642 O ILE A 106 -0.629 0.675 9.894 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.126 -0.756 7.377 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.034 -0.953 5.870 1.00 0.00 C ATOM 1645 CG2 ILE A 106 0.171 -2.059 8.108 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.041 -1.907 5.334 1.00 0.00 C ATOM 0 H ILE A 106 -0.807 1.619 6.883 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.328 -0.772 7.488 1.00 0.00 H new ATOM 0 HB ILE A 106 0.635 -0.029 7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.160 0.011 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.964 -1.311 5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.133 -2.451 7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.205 -1.874 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.612 -2.786 7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.917 -1.999 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.902 -2.883 5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.043 -1.540 5.554 1.00 0.00 H new ATOM 1658 N SER A 107 -2.388 -0.719 9.972 1.00 0.00 N ATOM 1659 CA SER A 107 -2.466 -0.830 11.430 1.00 0.00 C ATOM 1660 C SER A 107 -1.243 -1.540 11.972 1.00 0.00 C ATOM 1661 O SER A 107 -0.694 -1.209 13.030 1.00 0.00 O ATOM 1662 CB SER A 107 -3.714 -1.612 11.816 1.00 0.00 C ATOM 1663 OG SER A 107 -4.791 -1.222 11.012 1.00 0.00 O ATOM 0 H SER A 107 -3.124 -1.233 9.488 1.00 0.00 H new ATOM 0 HA SER A 107 -2.511 0.173 11.855 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.533 -2.681 11.702 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.952 -1.439 12.866 1.00 0.00 H new ATOM 0 HG SER A 107 -4.765 -1.718 10.167 1.00 0.00 H new ATOM 1669 N GLY A 108 -0.851 -2.526 11.220 1.00 0.00 N ATOM 1670 CA GLY A 108 0.176 -3.421 11.595 1.00 0.00 C ATOM 1671 C GLY A 108 -0.092 -4.768 10.961 1.00 0.00 C ATOM 1672 O GLY A 108 0.632 -5.187 10.069 1.00 0.00 O ATOM 0 H GLY A 108 -1.255 -2.726 10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.145 -3.039 11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.215 -3.516 12.680 1.00 0.00 H new ATOM 1676 N ASP A 109 -1.125 -5.466 11.434 1.00 0.00 N ATOM 1677 CA ASP A 109 -1.516 -6.748 10.830 1.00 0.00 C ATOM 1678 C ASP A 109 -2.698 -6.576 9.842 1.00 0.00 C ATOM 1679 O ASP A 109 -3.148 -7.543 9.217 1.00 0.00 O ATOM 1680 CB ASP A 109 -1.977 -7.738 11.917 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.089 -7.192 12.803 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -3.197 -5.953 12.953 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -3.888 -8.005 13.321 1.00 0.00 O ATOM 0 H ASP A 109 -1.702 -5.174 12.223 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.639 -7.123 10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.321 -8.655 11.439 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.124 -8.004 12.541 1.00 0.00 H new ATOM 1688 N THR A 110 -3.202 -5.347 9.723 1.00 0.00 N ATOM 1689 CA THR A 110 -4.404 -5.065 8.934 1.00 0.00 C ATOM 1690 C THR A 110 -4.393 -3.639 8.376 1.00 0.00 C ATOM 1691 O THR A 110 -3.489 -2.866 8.682 1.00 0.00 O ATOM 1692 CB THR A 110 -5.689 -5.374 9.741 1.00 0.00 C ATOM 1693 OG1 THR A 110 -6.862 -5.259 8.910 1.00 0.00 O ATOM 1694 CG2 THR A 110 -5.824 -4.470 10.967 1.00 0.00 C ATOM 0 H THR A 110 -2.793 -4.524 10.166 1.00 0.00 H new ATOM 0 HA THR A 110 -4.401 -5.733 8.073 1.00 0.00 H new ATOM 0 HB THR A 110 -5.604 -6.403 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.664 -5.413 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.739 -4.720 11.505 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.966 -4.616 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.864 -3.428 10.648 1.00 0.00 H new ATOM 1702 N VAL A 111 -5.377 -3.288 7.537 1.00 0.00 N ATOM 1703 CA VAL A 111 -5.456 -1.915 7.022 1.00 0.00 C ATOM 1704 C VAL A 111 -6.669 -1.201 7.625 1.00 0.00 C ATOM 1705 O VAL A 111 -7.775 -1.752 7.676 1.00 0.00 O ATOM 1706 CB VAL A 111 -5.598 -1.842 5.454 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -4.371 -2.339 4.719 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -6.805 -2.588 4.972 1.00 0.00 C ATOM 0 H VAL A 111 -6.110 -3.916 7.208 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.518 -1.437 7.305 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.713 -0.782 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.535 -2.262 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.509 -1.734 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.185 -3.380 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.869 -2.515 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.724 -3.636 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.701 -2.157 5.418 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.438 0.007 8.155 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.517 0.802 8.750 1.00 0.00 C ATOM 1720 C ILE A 112 -7.529 2.209 8.211 1.00 0.00 C ATOM 1721 O ILE A 112 -6.565 2.656 7.597 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.492 0.908 10.287 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.217 1.609 10.787 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -7.660 -0.455 10.923 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.232 1.905 12.278 1.00 0.00 C ATOM 0 H ILE A 112 -5.520 0.452 8.184 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.412 0.248 8.468 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.337 1.527 10.591 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.354 0.983 10.558 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.088 2.543 10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.639 -0.355 12.008 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.614 -0.885 10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.848 -1.108 10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.302 2.399 12.560 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.075 2.556 12.511 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.330 0.972 12.833 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.619 2.901 8.446 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.746 4.272 8.044 1.00 0.00 C ATOM 1739 C TRP A 113 -8.266 5.152 9.203 1.00 0.00 C ATOM 1740 O TRP A 113 -8.416 4.789 10.367 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.211 4.591 7.753 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.755 3.843 6.587 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.556 2.745 6.642 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.552 4.124 5.196 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.859 2.317 5.388 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.257 3.143 4.475 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -9.845 5.101 4.492 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.275 3.114 3.085 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -9.864 5.072 3.104 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.574 4.083 2.418 1.00 0.00 C ATOM 0 H TRP A 113 -9.439 2.525 8.921 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.155 4.455 7.147 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.808 4.360 8.635 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.314 5.661 7.570 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.902 2.279 7.553 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.441 1.510 5.163 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.293 5.866 5.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.823 2.353 2.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.323 5.823 2.548 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.570 4.083 1.338 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.662 6.279 8.863 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.128 7.235 9.844 1.00 0.00 C ATOM 1763 C ASP A 114 -8.244 7.793 10.703 1.00 0.00 C ATOM 1764 O ASP A 114 -8.045 8.027 11.889 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.361 8.367 9.132 1.00 0.00 C ATOM 1766 CG ASP A 114 -5.776 9.411 10.090 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -4.861 9.065 10.875 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -6.216 10.576 10.041 1.00 0.00 O ATOM 0 H ASP A 114 -7.523 6.566 7.894 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.429 6.710 10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.552 7.932 8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -7.032 8.865 8.432 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.415 8.012 10.080 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.609 8.571 10.752 1.00 0.00 C ATOM 1775 C GLN A 115 -10.774 8.145 12.204 1.00 0.00 C ATOM 1776 O GLN A 115 -10.872 6.958 12.528 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.864 8.185 10.012 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.134 8.763 10.627 1.00 0.00 C ATOM 1779 CD GLN A 115 -14.371 8.307 9.922 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.431 7.189 9.422 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -15.382 9.149 9.900 1.00 0.00 N ATOM 0 H GLN A 115 -9.564 7.807 9.092 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.451 9.649 10.742 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.785 8.521 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.943 7.098 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.190 8.473 11.676 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.084 9.852 10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.288 10.070 10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -16.259 8.881 9.454 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.797 9.143 13.063 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.030 8.942 14.485 1.00 0.00 C ATOM 1792 C GLU A 116 -12.481 8.441 14.725 1.00 0.00 C ATOM 1793 O GLU A 116 -12.724 7.528 15.522 1.00 0.00 O ATOM 1794 CB GLU A 116 -10.837 10.274 15.202 1.00 0.00 C ATOM 1795 CG GLU A 116 -10.975 10.195 16.714 1.00 0.00 C ATOM 1796 CD GLU A 116 -9.828 9.436 17.361 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -8.852 9.100 16.648 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -9.890 9.176 18.568 1.00 0.00 O ATOM 0 H GLU A 116 -10.655 10.118 12.799 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.331 8.198 14.866 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.849 10.665 14.959 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.565 10.989 14.819 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.018 11.203 17.125 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.917 9.708 16.965 1.00 0.00 H new ATOM 1805 N THR A 117 -13.417 9.052 13.986 1.00 0.00 N ATOM 1806 CA THR A 117 -14.865 8.762 14.058 1.00 0.00 C ATOM 1807 C THR A 117 -15.580 9.880 13.290 1.00 0.00 C ATOM 1808 O THR A 117 -15.006 10.958 13.142 1.00 0.00 O ATOM 1809 CB THR A 117 -15.356 8.739 15.545 1.00 0.00 C ATOM 1810 OG1 THR A 117 -16.674 8.183 15.641 1.00 0.00 O ATOM 1811 CG2 THR A 117 -15.344 10.137 16.150 1.00 0.00 C ATOM 0 H THR A 117 -13.189 9.777 13.306 1.00 0.00 H new ATOM 0 HA THR A 117 -15.079 7.783 13.628 1.00 0.00 H new ATOM 0 HB THR A 117 -14.665 8.110 16.106 1.00 0.00 H new ATOM 0 HG1 THR A 117 -17.338 8.897 15.542 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.690 10.090 17.183 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.330 10.536 16.125 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.004 10.788 15.576 1.00 0.00 H new ATOM 1819 N PRO A 118 -16.765 9.653 12.691 1.00 0.00 N ATOM 1820 CA PRO A 118 -17.438 10.741 11.992 1.00 0.00 C ATOM 1821 C PRO A 118 -17.853 11.877 12.967 1.00 0.00 C ATOM 1822 O PRO A 118 -18.318 11.612 14.079 1.00 0.00 O ATOM 1823 CB PRO A 118 -18.657 10.055 11.364 1.00 0.00 C ATOM 1824 CG PRO A 118 -18.910 8.857 12.228 1.00 0.00 C ATOM 1825 CD PRO A 118 -17.552 8.401 12.704 1.00 0.00 C ATOM 0 HA PRO A 118 -16.803 11.230 11.254 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.520 10.720 11.348 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.459 9.764 10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.555 9.111 13.069 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.413 8.069 11.667 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.599 7.963 13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.124 7.647 12.044 1.00 0.00 H new ATOM 1833 N ILE A 119 -17.691 13.134 12.542 1.00 0.00 N ATOM 1834 CA ILE A 119 -18.128 14.278 13.354 1.00 0.00 C ATOM 1835 C ILE A 119 -18.896 15.244 12.456 1.00 0.00 C ATOM 1836 O ILE A 119 -18.409 15.577 11.392 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.953 15.061 13.991 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -16.088 14.167 14.885 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -17.536 16.190 14.850 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.843 13.667 14.195 1.00 0.00 C ATOM 0 H ILE A 119 -17.265 13.386 11.650 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.741 13.879 14.163 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.324 15.448 13.189 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.803 14.724 15.778 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.680 13.314 15.217 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -16.724 16.755 15.308 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -18.131 16.854 14.223 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -18.168 15.765 15.630 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.274 13.040 14.881 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.123 13.084 13.317 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.232 14.515 13.887 1.00 0.00 H new ATOM 1852 N CYS A 120 -20.051 15.699 12.836 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.725 16.654 11.979 1.00 0.00 C ATOM 1854 C CYS A 120 -21.137 17.957 12.719 1.00 0.00 C ATOM 1855 O CYS A 120 -22.035 17.925 13.556 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.928 15.999 11.278 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.460 14.670 10.112 1.00 0.00 S ATOM 0 H CYS A 120 -20.539 15.445 13.695 1.00 0.00 H new ATOM 0 HA CYS A 120 -20.004 16.959 11.221 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.599 15.589 12.033 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.485 16.765 10.738 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.461 19.125 12.396 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.842 20.426 13.015 1.00 0.00 C ATOM 1864 C ASP A 121 -22.245 20.855 12.645 1.00 0.00 C ATOM 1865 O ASP A 121 -23.037 21.202 13.509 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.866 21.529 12.653 1.00 0.00 C ATOM 1867 CG ASP A 121 -20.269 22.872 13.225 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -20.390 22.984 14.464 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -20.463 23.808 12.440 1.00 0.00 O ATOM 0 H ASP A 121 -19.684 19.177 11.737 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.808 20.261 14.092 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.873 21.265 13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.796 21.606 11.568 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.551 20.744 11.341 1.00 0.00 N ATOM 1875 CA ARG A 122 -23.852 21.108 10.758 1.00 0.00 C ATOM 1876 C ARG A 122 -24.629 22.143 11.593 1.00 0.00 C ATOM 1877 O ARG A 122 -24.337 23.355 11.455 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.684 19.862 10.537 1.00 0.00 C ATOM 1879 CG ARG A 122 -24.147 18.925 9.486 1.00 0.00 C ATOM 1880 CD ARG A 122 -25.038 17.691 9.353 1.00 0.00 C ATOM 1881 NE ARG A 122 -24.979 16.841 10.537 1.00 0.00 N ATOM 1882 CZ ARG A 122 -25.681 15.704 10.691 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -26.532 15.302 9.737 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -25.538 14.985 11.799 1.00 0.00 N ATOM 0 H ARG A 122 -21.888 20.392 10.650 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.647 21.589 9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.762 19.322 11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -25.694 20.161 10.256 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -24.088 19.441 8.528 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -23.133 18.621 9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -26.068 18.005 9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -24.732 17.116 8.479 1.00 0.00 H new ATOM 0 HE ARG A 122 -24.364 17.128 11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -26.649 15.859 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -27.063 14.439 9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -24.898 15.296 12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -26.069 14.122 11.919 1.00 0.00 H new