USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 681 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 60 TYR OH : rot -151:sc= 0.0601 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.172 K(o=-0.11,f=-0.76) USER MOD Set 2.1: A 14 MET CE :methyl -169:sc= -0.0297 (180deg=-0.171) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.0266 X(o=-0.056,f=-0.17) USER MOD Single : A 1 GLU N :NH3+ -108:sc= 0.0767 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0864 USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.16) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.26 K(o=1.3,f=-0.36) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.000374 USER MOD Single : A 13 HIS : no HE2:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -176:sc= 0 (180deg=-0.012) USER MOD Single : A 32 CYS SG : rot 130:sc= -0.374 USER MOD Single : A 33 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0315 X(o=-0.032,f=-0.4) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.21) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.102 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 2.4 (180deg=0.917) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0957 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.11) USER MOD Single : A 75 HIS : no HE2:sc= 0.0126 X(o=0.013,f=-0.096) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 20.831 12.319 7.666 1.00 0.00 N ATOM 2 CA GLU A 1 19.902 13.438 7.350 1.00 0.00 C ATOM 3 C GLU A 1 18.464 12.908 7.234 1.00 0.00 C ATOM 4 O GLU A 1 18.247 11.721 6.972 1.00 0.00 O ATOM 5 CB GLU A 1 20.309 14.195 6.067 1.00 0.00 C ATOM 6 CG GLU A 1 21.628 14.970 6.215 1.00 0.00 C ATOM 7 CD GLU A 1 21.949 15.784 4.947 1.00 0.00 C ATOM 8 OE1 GLU A 1 22.593 15.238 4.018 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.578 16.981 4.880 1.00 0.00 O ATOM 0 H1 GLU A 1 21.152 12.402 8.652 1.00 0.00 H new ATOM 0 H2 GLU A 1 20.339 11.412 7.537 1.00 0.00 H new ATOM 0 H3 GLU A 1 21.653 12.360 7.030 1.00 0.00 H new ATOM 0 HA GLU A 1 19.959 14.154 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.403 13.483 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.515 14.890 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 1 21.563 15.640 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 1 22.441 14.272 6.416 1.00 0.00 H new ATOM 18 N ASP A 2 17.464 13.776 7.431 1.00 0.00 N ATOM 19 CA ASP A 2 16.037 13.455 7.337 1.00 0.00 C ATOM 20 C ASP A 2 15.279 14.682 6.826 1.00 0.00 C ATOM 21 O ASP A 2 15.675 15.816 7.119 1.00 0.00 O ATOM 22 CB ASP A 2 15.498 13.038 8.712 1.00 0.00 C ATOM 23 CG ASP A 2 13.981 12.787 8.666 1.00 0.00 C ATOM 24 OD1 ASP A 2 13.552 11.808 8.011 1.00 0.00 O ATOM 25 OD2 ASP A 2 13.216 13.570 9.283 1.00 0.00 O ATOM 0 H ASP A 2 17.633 14.754 7.668 1.00 0.00 H new ATOM 0 HA ASP A 2 15.896 12.626 6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.008 12.134 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.718 13.817 9.442 1.00 0.00 H new ATOM 30 N ARG A 3 14.203 14.473 6.060 1.00 0.00 N ATOM 31 CA ARG A 3 13.333 15.532 5.550 1.00 0.00 C ATOM 32 C ARG A 3 11.910 14.978 5.475 1.00 0.00 C ATOM 33 O ARG A 3 11.725 13.785 5.219 1.00 0.00 O ATOM 34 CB ARG A 3 13.849 15.999 4.170 1.00 0.00 C ATOM 35 CG ARG A 3 13.360 17.394 3.737 1.00 0.00 C ATOM 36 CD ARG A 3 14.004 18.520 4.564 1.00 0.00 C ATOM 37 NE ARG A 3 13.601 19.851 4.074 1.00 0.00 N ATOM 38 CZ ARG A 3 14.049 21.028 4.540 1.00 0.00 C ATOM 39 NH1 ARG A 3 14.927 21.072 5.543 1.00 0.00 N ATOM 40 NH2 ARG A 3 13.616 22.164 3.994 1.00 0.00 N ATOM 0 H ARG A 3 13.908 13.540 5.772 1.00 0.00 H new ATOM 0 HA ARG A 3 13.335 16.401 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.939 16.000 4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.542 15.272 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.588 17.545 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.276 17.445 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.716 18.414 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.089 18.429 4.521 1.00 0.00 H new ATOM 0 HE ARG A 3 12.922 19.880 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.265 20.206 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.261 21.971 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.947 22.137 3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.954 23.060 4.345 1.00 0.00 H new ATOM 54 N SER A 4 10.908 15.839 5.653 1.00 0.00 N ATOM 55 CA SER A 4 9.492 15.470 5.671 1.00 0.00 C ATOM 56 C SER A 4 8.880 15.307 4.269 1.00 0.00 C ATOM 57 O SER A 4 7.693 14.987 4.153 1.00 0.00 O ATOM 58 CB SER A 4 8.730 16.509 6.511 1.00 0.00 C ATOM 59 OG SER A 4 9.217 17.831 6.283 1.00 0.00 O ATOM 0 H SER A 4 11.062 16.838 5.792 1.00 0.00 H new ATOM 0 HA SER A 4 9.403 14.483 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.668 16.465 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.826 16.263 7.569 1.00 0.00 H new ATOM 0 HG SER A 4 8.710 18.466 6.831 1.00 0.00 H new ATOM 65 N LYS A 5 9.649 15.539 3.195 1.00 0.00 N ATOM 66 CA LYS A 5 9.135 15.456 1.828 1.00 0.00 C ATOM 67 C LYS A 5 8.667 14.019 1.568 1.00 0.00 C ATOM 68 O LYS A 5 9.402 13.069 1.853 1.00 0.00 O ATOM 69 CB LYS A 5 10.212 15.923 0.834 1.00 0.00 C ATOM 70 CG LYS A 5 9.644 16.111 -0.583 1.00 0.00 C ATOM 71 CD LYS A 5 10.647 16.723 -1.577 1.00 0.00 C ATOM 72 CE LYS A 5 10.951 18.199 -1.250 1.00 0.00 C ATOM 73 NZ LYS A 5 11.527 18.929 -2.412 1.00 0.00 N ATOM 0 H LYS A 5 10.637 15.787 3.253 1.00 0.00 H new ATOM 0 HA LYS A 5 8.279 16.117 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.642 16.863 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.021 15.193 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.313 15.144 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.763 16.751 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.573 16.149 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.247 16.650 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.034 18.694 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.647 18.247 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.667 19.928 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.441 18.506 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.876 18.864 -3.220 1.00 0.00 H new ATOM 87 N THR A 6 7.461 13.871 1.015 1.00 0.00 N ATOM 88 CA THR A 6 6.856 12.585 0.693 1.00 0.00 C ATOM 89 C THR A 6 6.298 12.756 -0.715 1.00 0.00 C ATOM 90 O THR A 6 5.615 13.742 -0.999 1.00 0.00 O ATOM 91 CB THR A 6 5.843 12.169 1.784 1.00 0.00 C ATOM 92 OG1 THR A 6 6.349 12.400 3.090 1.00 0.00 O ATOM 93 CG2 THR A 6 5.549 10.663 1.704 1.00 0.00 C ATOM 0 H THR A 6 6.867 14.664 0.774 1.00 0.00 H new ATOM 0 HA THR A 6 7.555 11.749 0.690 1.00 0.00 H new ATOM 0 HB THR A 6 4.949 12.767 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.681 12.127 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.834 10.390 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.131 10.425 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.473 10.104 1.849 1.00 0.00 H new ATOM 101 N THR A 7 6.644 11.843 -1.614 1.00 0.00 N ATOM 102 CA THR A 7 6.391 11.981 -3.043 1.00 0.00 C ATOM 103 C THR A 7 5.863 10.676 -3.652 1.00 0.00 C ATOM 104 O THR A 7 6.065 9.589 -3.102 1.00 0.00 O ATOM 105 CB THR A 7 7.700 12.451 -3.725 1.00 0.00 C ATOM 106 OG1 THR A 7 8.849 11.823 -3.164 1.00 0.00 O ATOM 107 CG2 THR A 7 7.915 13.964 -3.576 1.00 0.00 C ATOM 0 H THR A 7 7.115 10.973 -1.367 1.00 0.00 H new ATOM 0 HA THR A 7 5.611 12.724 -3.208 1.00 0.00 H new ATOM 0 HB THR A 7 7.586 12.179 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.654 12.144 -3.622 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.844 14.250 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.082 14.497 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.971 14.221 -2.518 1.00 0.00 H new ATOM 115 N ASN A 8 5.195 10.796 -4.799 1.00 0.00 N ATOM 116 CA ASN A 8 4.790 9.694 -5.672 1.00 0.00 C ATOM 117 C ASN A 8 5.357 10.038 -7.039 1.00 0.00 C ATOM 118 O ASN A 8 5.225 11.192 -7.460 1.00 0.00 O ATOM 119 CB ASN A 8 3.265 9.559 -5.754 1.00 0.00 C ATOM 120 CG ASN A 8 2.595 9.273 -4.418 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.944 10.143 -3.852 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.721 8.071 -3.881 1.00 0.00 N ATOM 0 H ASN A 8 4.908 11.705 -5.162 1.00 0.00 H new ATOM 0 HA ASN A 8 5.158 8.741 -5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.851 10.479 -6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.019 8.758 -6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.274 7.862 -2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.265 7.353 -4.360 1.00 0.00 H new ATOM 129 N THR A 9 5.974 9.078 -7.719 1.00 0.00 N ATOM 130 CA THR A 9 6.654 9.312 -8.984 1.00 0.00 C ATOM 131 C THR A 9 6.163 8.313 -10.023 1.00 0.00 C ATOM 132 O THR A 9 5.984 7.127 -9.741 1.00 0.00 O ATOM 133 CB THR A 9 8.182 9.268 -8.799 1.00 0.00 C ATOM 134 OG1 THR A 9 8.574 10.231 -7.834 1.00 0.00 O ATOM 135 CG2 THR A 9 8.949 9.474 -10.115 1.00 0.00 C ATOM 0 H THR A 9 6.016 8.109 -7.404 1.00 0.00 H new ATOM 0 HA THR A 9 6.415 10.311 -9.347 1.00 0.00 H new ATOM 0 HB THR A 9 8.440 8.269 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.546 10.200 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.021 9.433 -9.922 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.677 8.689 -10.821 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.693 10.446 -10.537 1.00 0.00 H new ATOM 143 N TRP A 10 6.003 8.793 -11.253 1.00 0.00 N ATOM 144 CA TRP A 10 5.575 8.023 -12.403 1.00 0.00 C ATOM 145 C TRP A 10 6.460 8.421 -13.574 1.00 0.00 C ATOM 146 O TRP A 10 6.936 9.553 -13.627 1.00 0.00 O ATOM 147 CB TRP A 10 4.097 8.329 -12.673 1.00 0.00 C ATOM 148 CG TRP A 10 3.180 8.005 -11.535 1.00 0.00 C ATOM 149 CD1 TRP A 10 2.585 6.817 -11.329 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.710 8.862 -10.455 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.811 6.859 -10.187 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.797 8.126 -9.645 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.927 10.209 -10.120 1.00 0.00 C ATOM 154 CZ2 TRP A 10 1.097 8.720 -8.584 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.210 10.824 -9.077 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.281 10.088 -8.321 1.00 0.00 C ATOM 0 H TRP A 10 6.177 9.772 -11.479 1.00 0.00 H new ATOM 0 HA TRP A 10 5.669 6.950 -12.238 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.996 9.387 -12.915 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.777 7.769 -13.552 1.00 0.00 H new ATOM 0 HD1 TRP A 10 2.697 5.953 -11.967 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.315 6.058 -9.796 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.657 10.782 -10.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.425 8.133 -7.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.374 11.868 -8.856 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.711 10.572 -7.541 1.00 0.00 H new ATOM 167 N VAL A 11 6.667 7.522 -14.527 1.00 0.00 N ATOM 168 CA VAL A 11 7.311 7.818 -15.795 1.00 0.00 C ATOM 169 C VAL A 11 6.332 7.522 -16.933 1.00 0.00 C ATOM 170 O VAL A 11 5.567 6.556 -16.863 1.00 0.00 O ATOM 171 CB VAL A 11 8.676 7.102 -15.880 1.00 0.00 C ATOM 172 CG1 VAL A 11 8.559 5.570 -15.877 1.00 0.00 C ATOM 173 CG2 VAL A 11 9.480 7.581 -17.100 1.00 0.00 C ATOM 0 H VAL A 11 6.385 6.546 -14.436 1.00 0.00 H new ATOM 0 HA VAL A 11 7.556 8.876 -15.886 1.00 0.00 H new ATOM 0 HB VAL A 11 9.215 7.375 -14.973 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.554 5.129 -15.939 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.074 5.244 -14.957 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.966 5.249 -16.733 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.436 7.059 -17.133 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.920 7.370 -18.011 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.655 8.654 -17.022 1.00 0.00 H new ATOM 183 N LEU A 12 6.348 8.366 -17.966 1.00 0.00 N ATOM 184 CA LEU A 12 5.503 8.263 -19.142 1.00 0.00 C ATOM 185 C LEU A 12 6.376 8.386 -20.382 1.00 0.00 C ATOM 186 O LEU A 12 7.097 9.372 -20.517 1.00 0.00 O ATOM 187 CB LEU A 12 4.452 9.394 -19.102 1.00 0.00 C ATOM 188 CG LEU A 12 3.017 8.936 -19.385 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.886 8.314 -20.774 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.542 7.967 -18.296 1.00 0.00 C ATOM 0 H LEU A 12 6.976 9.169 -18.001 1.00 0.00 H new ATOM 0 HA LEU A 12 4.987 7.303 -19.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.482 9.867 -18.120 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.728 10.156 -19.831 1.00 0.00 H new ATOM 0 HG LEU A 12 2.374 9.816 -19.368 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.854 8.002 -20.937 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.167 9.048 -21.529 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.543 7.448 -20.848 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.521 7.650 -18.511 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.195 7.095 -18.275 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.571 8.466 -17.327 1.00 0.00 H new ATOM 202 N HIS A 13 6.294 7.416 -21.289 1.00 0.00 N ATOM 203 CA HIS A 13 6.900 7.513 -22.604 1.00 0.00 C ATOM 204 C HIS A 13 5.920 8.246 -23.520 1.00 0.00 C ATOM 205 O HIS A 13 4.750 7.859 -23.601 1.00 0.00 O ATOM 206 CB HIS A 13 7.270 6.128 -23.149 1.00 0.00 C ATOM 207 CG HIS A 13 7.798 6.174 -24.563 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.135 5.754 -25.697 1.00 0.00 N ATOM 209 CD2 HIS A 13 9.004 6.684 -24.970 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.927 5.994 -26.756 1.00 0.00 C ATOM 211 NE2 HIS A 13 9.082 6.565 -26.364 1.00 0.00 N ATOM 0 H HIS A 13 5.801 6.538 -21.126 1.00 0.00 H new ATOM 0 HA HIS A 13 7.833 8.073 -22.549 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.021 5.677 -22.501 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.392 5.484 -23.115 1.00 0.00 H new ATOM 0 HD1 HIS A 13 6.206 5.334 -25.727 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.763 7.105 -24.327 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.672 5.761 -27.779 1.00 0.00 H new ATOM 219 N MET A 14 6.376 9.301 -24.195 1.00 0.00 N ATOM 220 CA MET A 14 5.570 10.150 -25.054 1.00 0.00 C ATOM 221 C MET A 14 6.504 10.859 -26.037 1.00 0.00 C ATOM 222 O MET A 14 7.541 11.386 -25.637 1.00 0.00 O ATOM 223 CB MET A 14 4.803 11.148 -24.171 1.00 0.00 C ATOM 224 CG MET A 14 3.918 12.134 -24.941 1.00 0.00 C ATOM 225 SD MET A 14 3.224 13.468 -23.922 1.00 0.00 S ATOM 226 CE MET A 14 2.323 12.525 -22.657 1.00 0.00 C ATOM 0 H MET A 14 7.352 9.593 -24.153 1.00 0.00 H new ATOM 0 HA MET A 14 4.842 9.574 -25.625 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.180 10.590 -23.472 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.521 11.713 -23.576 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.503 12.576 -25.748 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.100 11.584 -25.405 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.690 13.201 -22.081 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.703 11.770 -23.139 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.035 12.038 -21.990 1.00 0.00 H new ATOM 236 N ASP A 15 6.123 10.887 -27.319 1.00 0.00 N ATOM 237 CA ASP A 15 6.833 11.591 -28.397 1.00 0.00 C ATOM 238 C ASP A 15 8.337 11.258 -28.456 1.00 0.00 C ATOM 239 O ASP A 15 9.186 12.115 -28.718 1.00 0.00 O ATOM 240 CB ASP A 15 6.519 13.094 -28.357 1.00 0.00 C ATOM 241 CG ASP A 15 7.016 13.833 -29.617 1.00 0.00 C ATOM 242 OD1 ASP A 15 6.815 13.327 -30.749 1.00 0.00 O ATOM 243 OD2 ASP A 15 7.543 14.967 -29.490 1.00 0.00 O ATOM 0 H ASP A 15 5.286 10.406 -27.647 1.00 0.00 H new ATOM 0 HA ASP A 15 6.453 11.217 -29.348 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.443 13.235 -28.257 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.981 13.536 -27.474 1.00 0.00 H new ATOM 248 N GLY A 16 8.673 9.986 -28.197 1.00 0.00 N ATOM 249 CA GLY A 16 10.040 9.476 -28.263 1.00 0.00 C ATOM 250 C GLY A 16 10.912 9.878 -27.067 1.00 0.00 C ATOM 251 O GLY A 16 12.123 9.639 -27.099 1.00 0.00 O ATOM 0 H GLY A 16 7.989 9.277 -27.933 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.009 8.388 -28.328 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.508 9.837 -29.179 1.00 0.00 H new ATOM 255 N GLU A 17 10.334 10.475 -26.021 1.00 0.00 N ATOM 256 CA GLU A 17 10.985 10.840 -24.776 1.00 0.00 C ATOM 257 C GLU A 17 10.300 10.132 -23.606 1.00 0.00 C ATOM 258 O GLU A 17 9.185 9.626 -23.737 1.00 0.00 O ATOM 259 CB GLU A 17 10.985 12.370 -24.585 1.00 0.00 C ATOM 260 CG GLU A 17 12.058 13.043 -25.446 1.00 0.00 C ATOM 261 CD GLU A 17 12.126 14.559 -25.188 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.855 14.987 -24.258 1.00 0.00 O ATOM 263 OE2 GLU A 17 11.489 15.341 -25.936 1.00 0.00 O ATOM 0 H GLU A 17 9.346 10.727 -26.028 1.00 0.00 H new ATOM 0 HA GLU A 17 12.026 10.517 -24.812 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.005 12.770 -24.845 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.158 12.607 -23.535 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.029 12.594 -25.235 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.845 12.862 -26.500 1.00 0.00 H new ATOM 270 N ASN A 18 10.969 10.099 -22.451 1.00 0.00 N ATOM 271 CA ASN A 18 10.395 9.658 -21.188 1.00 0.00 C ATOM 272 C ASN A 18 10.328 10.867 -20.269 1.00 0.00 C ATOM 273 O ASN A 18 11.356 11.499 -20.016 1.00 0.00 O ATOM 274 CB ASN A 18 11.197 8.514 -20.548 1.00 0.00 C ATOM 275 CG ASN A 18 10.792 7.154 -21.103 1.00 0.00 C ATOM 276 OD1 ASN A 18 9.834 6.548 -20.633 1.00 0.00 O ATOM 277 ND2 ASN A 18 11.486 6.656 -22.117 1.00 0.00 N ATOM 0 H ASN A 18 11.945 10.385 -22.371 1.00 0.00 H new ATOM 0 HA ASN A 18 9.398 9.254 -21.363 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.261 8.675 -20.723 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.046 8.525 -19.469 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.226 5.755 -22.519 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.279 7.174 -22.495 1.00 0.00 H new ATOM 284 N PHE A 19 9.133 11.174 -19.760 1.00 0.00 N ATOM 285 CA PHE A 19 8.906 12.276 -18.830 1.00 0.00 C ATOM 286 C PHE A 19 8.605 11.690 -17.457 1.00 0.00 C ATOM 287 O PHE A 19 7.731 10.834 -17.334 1.00 0.00 O ATOM 288 CB PHE A 19 7.759 13.166 -19.342 1.00 0.00 C ATOM 289 CG PHE A 19 7.975 13.729 -20.740 1.00 0.00 C ATOM 290 CD1 PHE A 19 9.116 14.508 -21.029 1.00 0.00 C ATOM 291 CD2 PHE A 19 7.037 13.473 -21.757 1.00 0.00 C ATOM 292 CE1 PHE A 19 9.314 15.026 -22.321 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.233 14.001 -23.048 1.00 0.00 C ATOM 294 CZ PHE A 19 8.370 14.775 -23.331 1.00 0.00 C ATOM 0 H PHE A 19 8.285 10.655 -19.987 1.00 0.00 H new ATOM 0 HA PHE A 19 9.791 12.907 -18.753 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.836 12.587 -19.336 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.621 13.995 -18.647 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.841 14.707 -20.254 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.165 12.871 -21.547 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.192 15.617 -22.537 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.506 13.810 -23.823 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.518 15.176 -24.323 1.00 0.00 H new ATOM 304 N ARG A 20 9.308 12.143 -16.415 1.00 0.00 N ATOM 305 CA ARG A 20 8.973 11.821 -15.035 1.00 0.00 C ATOM 306 C ARG A 20 7.993 12.842 -14.500 1.00 0.00 C ATOM 307 O ARG A 20 8.184 14.043 -14.672 1.00 0.00 O ATOM 308 CB ARG A 20 10.223 11.684 -14.160 1.00 0.00 C ATOM 309 CG ARG A 20 10.894 10.335 -14.462 1.00 0.00 C ATOM 310 CD ARG A 20 11.433 9.722 -13.175 1.00 0.00 C ATOM 311 NE ARG A 20 12.135 8.445 -13.423 1.00 0.00 N ATOM 312 CZ ARG A 20 12.827 7.729 -12.523 1.00 0.00 C ATOM 313 NH1 ARG A 20 12.954 8.157 -11.269 1.00 0.00 N ATOM 314 NH2 ARG A 20 13.389 6.579 -12.884 1.00 0.00 N ATOM 0 H ARG A 20 10.126 12.744 -16.511 1.00 0.00 H new ATOM 0 HA ARG A 20 8.491 10.844 -15.007 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.915 12.502 -14.359 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.954 11.744 -13.105 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.176 9.658 -14.924 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.706 10.475 -15.176 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.116 10.424 -12.697 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.610 9.555 -12.480 1.00 0.00 H new ATOM 0 HE ARG A 20 12.089 8.071 -14.371 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.523 9.037 -10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.482 7.605 -10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.294 6.243 -13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.916 6.033 -12.202 1.00 0.00 H new ATOM 328 N ILE A 21 6.949 12.344 -13.862 1.00 0.00 N ATOM 329 CA ILE A 21 5.980 13.076 -13.083 1.00 0.00 C ATOM 330 C ILE A 21 6.366 12.778 -11.652 1.00 0.00 C ATOM 331 O ILE A 21 6.528 11.611 -11.303 1.00 0.00 O ATOM 332 CB ILE A 21 4.553 12.552 -13.370 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.009 12.881 -14.780 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.510 13.050 -12.337 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.956 12.784 -15.980 1.00 0.00 C ATOM 0 H ILE A 21 6.746 11.345 -13.879 1.00 0.00 H new ATOM 0 HA ILE A 21 5.975 14.142 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 21 4.679 11.472 -13.296 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.166 12.217 -14.971 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.615 13.897 -14.752 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.528 12.650 -12.590 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.794 12.711 -11.341 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.473 14.139 -12.353 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.417 13.046 -16.891 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.791 13.471 -15.841 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.335 11.765 -16.063 1.00 0.00 H new ATOM 347 N VAL A 22 6.434 13.797 -10.815 1.00 0.00 N ATOM 348 CA VAL A 22 6.564 13.649 -9.388 1.00 0.00 C ATOM 349 C VAL A 22 5.473 14.518 -8.779 1.00 0.00 C ATOM 350 O VAL A 22 5.308 15.669 -9.175 1.00 0.00 O ATOM 351 CB VAL A 22 7.986 14.009 -8.908 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.131 13.737 -7.405 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.065 13.214 -9.658 1.00 0.00 C ATOM 0 H VAL A 22 6.399 14.769 -11.121 1.00 0.00 H new ATOM 0 HA VAL A 22 6.434 12.615 -9.069 1.00 0.00 H new ATOM 0 HB VAL A 22 8.128 15.070 -9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.140 13.996 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.409 14.340 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.948 12.681 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.050 13.499 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.911 12.147 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.001 13.430 -10.724 1.00 0.00 H new ATOM 363 N LEU A 23 4.710 13.973 -7.845 1.00 0.00 N ATOM 364 CA LEU A 23 3.788 14.729 -7.010 1.00 0.00 C ATOM 365 C LEU A 23 4.477 14.961 -5.670 1.00 0.00 C ATOM 366 O LEU A 23 4.896 13.986 -5.049 1.00 0.00 O ATOM 367 CB LEU A 23 2.494 13.917 -6.826 1.00 0.00 C ATOM 368 CG LEU A 23 1.559 14.458 -5.719 1.00 0.00 C ATOM 369 CD1 LEU A 23 0.959 15.816 -6.087 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.426 13.470 -5.440 1.00 0.00 C ATOM 0 H LEU A 23 4.714 12.974 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 23 3.527 15.685 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.950 13.902 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.756 12.885 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 23 2.170 14.583 -4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.309 16.157 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.761 16.539 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.379 15.721 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.220 13.869 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.156 13.317 -6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.845 12.518 -5.113 1.00 0.00 H new ATOM 382 N GLU A 24 4.595 16.209 -5.212 1.00 0.00 N ATOM 383 CA GLU A 24 5.008 16.492 -3.841 1.00 0.00 C ATOM 384 C GLU A 24 3.715 16.471 -3.032 1.00 0.00 C ATOM 385 O GLU A 24 2.822 17.285 -3.269 1.00 0.00 O ATOM 386 CB GLU A 24 5.791 17.815 -3.717 1.00 0.00 C ATOM 387 CG GLU A 24 7.303 17.528 -3.734 1.00 0.00 C ATOM 388 CD GLU A 24 8.187 18.769 -3.499 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.828 19.650 -2.682 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.301 18.820 -4.074 1.00 0.00 O ATOM 0 H GLU A 24 4.409 17.040 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 24 5.716 15.753 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.529 18.482 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.518 18.325 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.529 16.785 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.566 17.086 -4.695 1.00 0.00 H new ATOM 397 N LYS A 25 3.587 15.519 -2.102 1.00 0.00 N ATOM 398 CA LYS A 25 2.310 15.268 -1.429 1.00 0.00 C ATOM 399 C LYS A 25 1.922 16.421 -0.507 1.00 0.00 C ATOM 400 O LYS A 25 0.738 16.703 -0.350 1.00 0.00 O ATOM 401 CB LYS A 25 2.364 13.959 -0.641 1.00 0.00 C ATOM 402 CG LYS A 25 2.486 12.753 -1.585 1.00 0.00 C ATOM 403 CD LYS A 25 2.801 11.479 -0.800 1.00 0.00 C ATOM 404 CE LYS A 25 1.550 10.953 -0.068 1.00 0.00 C ATOM 405 NZ LYS A 25 1.804 9.695 0.695 1.00 0.00 N ATOM 0 H LYS A 25 4.349 14.912 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 25 1.546 15.186 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.212 13.977 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.465 13.859 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.556 12.624 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.271 12.937 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.177 10.714 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.591 11.680 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.188 11.720 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.758 10.776 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.927 9.391 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.123 8.951 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.539 9.865 1.411 1.00 0.00 H new ATOM 419 N ASP A 26 2.908 17.085 0.110 1.00 0.00 N ATOM 420 CA ASP A 26 2.632 18.131 1.100 1.00 0.00 C ATOM 421 C ASP A 26 1.998 19.349 0.430 1.00 0.00 C ATOM 422 O ASP A 26 1.016 19.902 0.932 1.00 0.00 O ATOM 423 CB ASP A 26 3.912 18.539 1.833 1.00 0.00 C ATOM 424 CG ASP A 26 3.629 19.678 2.831 1.00 0.00 C ATOM 425 OD1 ASP A 26 3.042 19.419 3.909 1.00 0.00 O ATOM 426 OD2 ASP A 26 4.014 20.838 2.551 1.00 0.00 O ATOM 0 H ASP A 26 3.900 16.917 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 26 1.931 17.728 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.324 17.679 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.664 18.859 1.112 1.00 0.00 H new ATOM 431 N ALA A 27 2.539 19.734 -0.733 1.00 0.00 N ATOM 432 CA ALA A 27 2.100 20.890 -1.495 1.00 0.00 C ATOM 433 C ALA A 27 1.018 20.549 -2.532 1.00 0.00 C ATOM 434 O ALA A 27 0.369 21.462 -3.049 1.00 0.00 O ATOM 435 CB ALA A 27 3.333 21.517 -2.159 1.00 0.00 C ATOM 0 H ALA A 27 3.311 19.233 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 27 1.631 21.601 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.030 22.389 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.045 21.821 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.801 20.787 -2.819 1.00 0.00 H new ATOM 441 N MET A 28 0.823 19.259 -2.845 1.00 0.00 N ATOM 442 CA MET A 28 0.006 18.773 -3.955 1.00 0.00 C ATOM 443 C MET A 28 0.432 19.441 -5.272 1.00 0.00 C ATOM 444 O MET A 28 -0.404 19.807 -6.103 1.00 0.00 O ATOM 445 CB MET A 28 -1.504 18.822 -3.648 1.00 0.00 C ATOM 446 CG MET A 28 -1.909 17.815 -2.563 1.00 0.00 C ATOM 447 SD MET A 28 -1.626 16.058 -2.952 1.00 0.00 S ATOM 448 CE MET A 28 -2.816 15.782 -4.295 1.00 0.00 C ATOM 0 H MET A 28 1.248 18.502 -2.309 1.00 0.00 H new ATOM 0 HA MET A 28 0.197 17.708 -4.091 1.00 0.00 H new ATOM 0 HB2 MET A 28 -1.775 19.828 -3.327 1.00 0.00 H new ATOM 0 HB3 MET A 28 -2.065 18.616 -4.560 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.364 18.056 -1.651 1.00 0.00 H new ATOM 0 HG3 MET A 28 -2.969 17.952 -2.347 1.00 0.00 H new ATOM 0 HE1 MET A 28 -2.803 14.731 -4.583 1.00 0.00 H new ATOM 0 HE2 MET A 28 -3.816 16.053 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.545 16.396 -5.153 1.00 0.00 H new ATOM 458 N ASP A 29 1.745 19.629 -5.446 1.00 0.00 N ATOM 459 CA ASP A 29 2.338 20.274 -6.615 1.00 0.00 C ATOM 460 C ASP A 29 2.957 19.193 -7.496 1.00 0.00 C ATOM 461 O ASP A 29 3.534 18.235 -6.963 1.00 0.00 O ATOM 462 CB ASP A 29 3.381 21.325 -6.208 1.00 0.00 C ATOM 463 CG ASP A 29 3.591 22.413 -7.282 1.00 0.00 C ATOM 464 OD1 ASP A 29 3.226 22.211 -8.467 1.00 0.00 O ATOM 465 OD2 ASP A 29 4.082 23.509 -6.916 1.00 0.00 O ATOM 0 H ASP A 29 2.438 19.329 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 29 1.565 20.804 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.069 21.797 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.331 20.829 -6.011 1.00 0.00 H new ATOM 470 N VAL A 30 2.818 19.312 -8.816 1.00 0.00 N ATOM 471 CA VAL A 30 3.251 18.301 -9.764 1.00 0.00 C ATOM 472 C VAL A 30 4.414 18.837 -10.606 1.00 0.00 C ATOM 473 O VAL A 30 4.283 19.798 -11.369 1.00 0.00 O ATOM 474 CB VAL A 30 2.044 17.738 -10.545 1.00 0.00 C ATOM 475 CG1 VAL A 30 1.578 18.574 -11.742 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.361 16.315 -11.016 1.00 0.00 C ATOM 0 H VAL A 30 2.394 20.128 -9.258 1.00 0.00 H new ATOM 0 HA VAL A 30 3.661 17.431 -9.250 1.00 0.00 H new ATOM 0 HB VAL A 30 1.214 17.761 -9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.726 18.087 -12.217 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.284 19.566 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.392 18.664 -12.462 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.510 15.916 -11.568 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.237 16.333 -11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.562 15.682 -10.152 1.00 0.00 H new ATOM 486 N TRP A 31 5.566 18.191 -10.454 1.00 0.00 N ATOM 487 CA TRP A 31 6.792 18.416 -11.187 1.00 0.00 C ATOM 488 C TRP A 31 6.766 17.436 -12.357 1.00 0.00 C ATOM 489 O TRP A 31 6.947 16.236 -12.162 1.00 0.00 O ATOM 490 CB TRP A 31 7.982 18.190 -10.229 1.00 0.00 C ATOM 491 CG TRP A 31 7.708 18.564 -8.798 1.00 0.00 C ATOM 492 CD1 TRP A 31 7.230 17.738 -7.842 1.00 0.00 C ATOM 493 CD2 TRP A 31 7.808 19.862 -8.152 1.00 0.00 C ATOM 494 NE1 TRP A 31 6.904 18.461 -6.724 1.00 0.00 N ATOM 495 CE2 TRP A 31 7.279 19.775 -6.834 1.00 0.00 C ATOM 496 CE3 TRP A 31 8.299 21.107 -8.556 1.00 0.00 C ATOM 497 CZ2 TRP A 31 7.215 20.874 -5.968 1.00 0.00 C ATOM 498 CZ3 TRP A 31 8.313 22.205 -7.673 1.00 0.00 C ATOM 499 CH2 TRP A 31 7.752 22.099 -6.387 1.00 0.00 C ATOM 0 H TRP A 31 5.667 17.446 -9.765 1.00 0.00 H new ATOM 0 HA TRP A 31 6.893 19.430 -11.574 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.270 17.139 -10.268 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.835 18.768 -10.586 1.00 0.00 H new ATOM 0 HD1 TRP A 31 7.121 16.668 -7.943 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.437 18.068 -5.907 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.674 21.229 -9.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.759 20.779 -4.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 8.759 23.137 -7.986 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.735 22.955 -5.728 1.00 0.00 H new ATOM 510 N CYS A 32 6.501 17.914 -13.568 1.00 0.00 N ATOM 511 CA CYS A 32 6.513 17.093 -14.772 1.00 0.00 C ATOM 512 C CYS A 32 7.738 17.522 -15.579 1.00 0.00 C ATOM 513 O CYS A 32 7.904 18.709 -15.860 1.00 0.00 O ATOM 514 CB CYS A 32 5.185 17.276 -15.509 1.00 0.00 C ATOM 515 SG CYS A 32 3.827 16.739 -14.430 1.00 0.00 S ATOM 0 H CYS A 32 6.270 18.892 -13.742 1.00 0.00 H new ATOM 0 HA CYS A 32 6.596 16.025 -14.569 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.052 18.321 -15.789 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.184 16.696 -16.432 1.00 0.00 H new ATOM 0 HG CYS A 32 2.913 17.663 -14.390 1.00 0.00 H new ATOM 521 N ASN A 33 8.630 16.576 -15.893 1.00 0.00 N ATOM 522 CA ASN A 33 9.954 16.845 -16.472 1.00 0.00 C ATOM 523 C ASN A 33 10.719 17.900 -15.645 1.00 0.00 C ATOM 524 O ASN A 33 11.417 18.759 -16.179 1.00 0.00 O ATOM 525 CB ASN A 33 9.832 17.153 -17.978 1.00 0.00 C ATOM 526 CG ASN A 33 11.185 17.232 -18.688 1.00 0.00 C ATOM 527 OD1 ASN A 33 11.577 18.279 -19.197 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.918 16.128 -18.769 1.00 0.00 N ATOM 0 H ASN A 33 8.450 15.582 -15.750 1.00 0.00 H new ATOM 0 HA ASN A 33 10.573 15.950 -16.412 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.225 16.382 -18.452 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.305 18.098 -18.108 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.814 16.145 -19.257 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.585 15.263 -18.344 1.00 0.00 H new ATOM 535 N GLY A 34 10.544 17.857 -14.316 1.00 0.00 N ATOM 536 CA GLY A 34 11.209 18.744 -13.361 1.00 0.00 C ATOM 537 C GLY A 34 10.619 20.159 -13.274 1.00 0.00 C ATOM 538 O GLY A 34 11.084 20.941 -12.444 1.00 0.00 O ATOM 0 H GLY A 34 9.920 17.186 -13.868 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.166 18.287 -12.372 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.262 18.821 -13.631 1.00 0.00 H new ATOM 542 N LYS A 35 9.605 20.508 -14.078 1.00 0.00 N ATOM 543 CA LYS A 35 8.986 21.839 -14.087 1.00 0.00 C ATOM 544 C LYS A 35 7.592 21.750 -13.475 1.00 0.00 C ATOM 545 O LYS A 35 6.895 20.758 -13.695 1.00 0.00 O ATOM 546 CB LYS A 35 8.920 22.374 -15.528 1.00 0.00 C ATOM 547 CG LYS A 35 10.314 22.596 -16.137 1.00 0.00 C ATOM 548 CD LYS A 35 10.200 23.079 -17.590 1.00 0.00 C ATOM 549 CE LYS A 35 11.601 23.294 -18.182 1.00 0.00 C ATOM 550 NZ LYS A 35 11.551 23.751 -19.595 1.00 0.00 N ATOM 0 H LYS A 35 9.187 19.864 -14.749 1.00 0.00 H new ATOM 0 HA LYS A 35 9.585 22.530 -13.494 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.364 21.671 -16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.368 23.314 -15.538 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.862 23.330 -15.546 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.884 21.668 -16.101 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.653 22.346 -18.184 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.633 24.009 -17.630 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.137 24.030 -17.583 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.165 22.363 -18.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.519 23.883 -19.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.063 23.038 -20.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.036 24.653 -19.650 1.00 0.00 H new ATOM 564 N LYS A 36 7.156 22.771 -12.730 1.00 0.00 N ATOM 565 CA LYS A 36 5.764 22.850 -12.302 1.00 0.00 C ATOM 566 C LYS A 36 4.893 23.116 -13.527 1.00 0.00 C ATOM 567 O LYS A 36 5.313 23.846 -14.431 1.00 0.00 O ATOM 568 CB LYS A 36 5.569 23.971 -11.275 1.00 0.00 C ATOM 569 CG LYS A 36 6.387 23.767 -9.992 1.00 0.00 C ATOM 570 CD LYS A 36 6.831 25.102 -9.394 1.00 0.00 C ATOM 571 CE LYS A 36 5.647 26.016 -9.033 1.00 0.00 C ATOM 572 NZ LYS A 36 6.081 27.280 -8.380 1.00 0.00 N ATOM 0 H LYS A 36 7.743 23.544 -12.416 1.00 0.00 H new ATOM 0 HA LYS A 36 5.480 21.909 -11.831 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.848 24.922 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.512 24.038 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.790 23.220 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.263 23.156 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.425 24.915 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.478 25.616 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.086 26.252 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.969 25.481 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.247 27.860 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.594 27.059 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.706 27.806 -9.023 1.00 0.00 H new ATOM 586 N LEU A 37 3.675 22.581 -13.536 1.00 0.00 N ATOM 587 CA LEU A 37 2.634 22.902 -14.498 1.00 0.00 C ATOM 588 C LEU A 37 1.302 23.042 -13.762 1.00 0.00 C ATOM 589 O LEU A 37 1.197 22.691 -12.584 1.00 0.00 O ATOM 590 CB LEU A 37 2.634 21.922 -15.676 1.00 0.00 C ATOM 591 CG LEU A 37 2.482 20.437 -15.333 1.00 0.00 C ATOM 592 CD1 LEU A 37 1.090 20.038 -14.849 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.822 19.620 -16.583 1.00 0.00 C ATOM 0 H LEU A 37 3.379 21.888 -12.848 1.00 0.00 H new ATOM 0 HA LEU A 37 2.829 23.866 -14.968 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.824 22.200 -16.351 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.566 22.051 -16.226 1.00 0.00 H new ATOM 0 HG LEU A 37 3.160 20.236 -14.503 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.073 18.971 -14.629 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.844 20.598 -13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.357 20.260 -15.625 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.720 18.557 -16.362 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.141 19.889 -17.390 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.847 19.831 -16.888 1.00 0.00 H new ATOM 605 N GLU A 38 0.302 23.607 -14.440 1.00 0.00 N ATOM 606 CA GLU A 38 -0.980 23.933 -13.837 1.00 0.00 C ATOM 607 C GLU A 38 -1.788 22.665 -13.545 1.00 0.00 C ATOM 608 O GLU A 38 -1.760 21.704 -14.317 1.00 0.00 O ATOM 609 CB GLU A 38 -1.753 24.952 -14.690 1.00 0.00 C ATOM 610 CG GLU A 38 -2.165 24.445 -16.081 1.00 0.00 C ATOM 611 CD GLU A 38 -2.836 25.563 -16.898 1.00 0.00 C ATOM 612 OE1 GLU A 38 -4.073 25.750 -16.784 1.00 0.00 O ATOM 613 OE2 GLU A 38 -2.134 26.259 -17.672 1.00 0.00 O ATOM 0 H GLU A 38 0.365 23.851 -15.429 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.797 24.413 -12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.649 25.253 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.139 25.844 -14.811 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.287 24.077 -16.613 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.850 23.604 -15.977 1.00 0.00 H new ATOM 620 N THR A 39 -2.532 22.689 -12.441 1.00 0.00 N ATOM 621 CA THR A 39 -3.362 21.593 -11.949 1.00 0.00 C ATOM 622 C THR A 39 -4.719 22.148 -11.513 1.00 0.00 C ATOM 623 O THR A 39 -4.809 23.288 -11.044 1.00 0.00 O ATOM 624 CB THR A 39 -2.654 20.847 -10.801 1.00 0.00 C ATOM 625 OG1 THR A 39 -1.913 21.705 -9.941 1.00 0.00 O ATOM 626 CG2 THR A 39 -1.694 19.791 -11.354 1.00 0.00 C ATOM 0 H THR A 39 -2.574 23.511 -11.838 1.00 0.00 H new ATOM 0 HA THR A 39 -3.524 20.868 -12.747 1.00 0.00 H new ATOM 0 HB THR A 39 -3.453 20.387 -10.219 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.490 21.174 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.204 19.276 -10.528 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.251 19.070 -11.952 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.941 20.274 -11.977 1.00 0.00 H new ATOM 634 N ALA A 40 -5.764 21.331 -11.644 1.00 0.00 N ATOM 635 CA ALA A 40 -7.088 21.587 -11.088 1.00 0.00 C ATOM 636 C ALA A 40 -7.418 20.391 -10.204 1.00 0.00 C ATOM 637 O ALA A 40 -7.139 19.259 -10.599 1.00 0.00 O ATOM 638 CB ALA A 40 -8.120 21.776 -12.204 1.00 0.00 C ATOM 0 H ALA A 40 -5.709 20.449 -12.154 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.107 22.508 -10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.100 21.966 -11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.831 22.623 -12.827 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.164 20.874 -12.815 1.00 0.00 H new ATOM 644 N GLY A 41 -7.976 20.621 -9.019 1.00 0.00 N ATOM 645 CA GLY A 41 -8.272 19.577 -8.053 1.00 0.00 C ATOM 646 C GLY A 41 -9.768 19.340 -8.106 1.00 0.00 C ATOM 647 O GLY A 41 -10.526 20.093 -7.490 1.00 0.00 O ATOM 0 H GLY A 41 -8.238 21.554 -8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.728 18.664 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.964 19.879 -7.052 1.00 0.00 H new ATOM 651 N GLU A 42 -10.196 18.349 -8.886 1.00 0.00 N ATOM 652 CA GLU A 42 -11.590 17.971 -8.949 1.00 0.00 C ATOM 653 C GLU A 42 -11.874 17.020 -7.789 1.00 0.00 C ATOM 654 O GLU A 42 -11.037 16.173 -7.460 1.00 0.00 O ATOM 655 CB GLU A 42 -11.881 17.332 -10.307 1.00 0.00 C ATOM 656 CG GLU A 42 -13.347 16.980 -10.538 1.00 0.00 C ATOM 657 CD GLU A 42 -14.278 18.204 -10.430 1.00 0.00 C ATOM 658 OE1 GLU A 42 -14.654 18.581 -9.294 1.00 0.00 O ATOM 659 OE2 GLU A 42 -14.639 18.791 -11.479 1.00 0.00 O ATOM 0 H GLU A 42 -9.584 17.794 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.244 18.838 -8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.556 18.014 -11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.283 16.426 -10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.457 16.531 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.655 16.229 -9.810 1.00 0.00 H new ATOM 666 N PHE A 43 -13.054 17.133 -7.193 1.00 0.00 N ATOM 667 CA PHE A 43 -13.481 16.289 -6.085 1.00 0.00 C ATOM 668 C PHE A 43 -14.637 15.420 -6.558 1.00 0.00 C ATOM 669 O PHE A 43 -15.584 15.908 -7.181 1.00 0.00 O ATOM 670 CB PHE A 43 -13.846 17.131 -4.856 1.00 0.00 C ATOM 671 CG PHE A 43 -12.664 17.867 -4.252 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.729 17.170 -3.462 1.00 0.00 C ATOM 673 CD2 PHE A 43 -12.481 19.243 -4.492 1.00 0.00 C ATOM 674 CE1 PHE A 43 -10.628 17.844 -2.905 1.00 0.00 C ATOM 675 CE2 PHE A 43 -11.378 19.916 -3.937 1.00 0.00 C ATOM 676 CZ PHE A 43 -10.455 19.220 -3.138 1.00 0.00 C ATOM 0 H PHE A 43 -13.751 17.824 -7.470 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.662 15.642 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -14.610 17.856 -5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -14.285 16.482 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.858 16.113 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -13.189 19.782 -5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.915 17.305 -2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -11.240 20.970 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.614 19.741 -2.704 1.00 0.00 H new ATOM 686 N VAL A 44 -14.549 14.125 -6.263 1.00 0.00 N ATOM 687 CA VAL A 44 -15.451 13.099 -6.743 1.00 0.00 C ATOM 688 C VAL A 44 -15.910 12.219 -5.585 1.00 0.00 C ATOM 689 O VAL A 44 -15.319 12.224 -4.504 1.00 0.00 O ATOM 690 CB VAL A 44 -14.757 12.282 -7.854 1.00 0.00 C ATOM 691 CG1 VAL A 44 -14.911 12.986 -9.201 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.279 11.961 -7.573 1.00 0.00 C ATOM 0 H VAL A 44 -13.816 13.754 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 44 -16.342 13.558 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.264 11.317 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.417 12.400 -9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.970 13.086 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.456 13.975 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.868 11.385 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.719 12.890 -7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.201 11.380 -6.654 1.00 0.00 H new ATOM 702 N ASP A 45 -16.937 11.409 -5.841 1.00 0.00 N ATOM 703 CA ASP A 45 -17.499 10.430 -4.902 1.00 0.00 C ATOM 704 C ASP A 45 -16.602 9.182 -4.845 1.00 0.00 C ATOM 705 O ASP A 45 -17.023 8.043 -5.062 1.00 0.00 O ATOM 706 CB ASP A 45 -18.963 10.121 -5.249 1.00 0.00 C ATOM 707 CG ASP A 45 -19.620 9.179 -4.219 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.397 9.350 -2.995 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.408 8.290 -4.628 1.00 0.00 O ATOM 0 H ASP A 45 -17.420 11.414 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.515 10.850 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.527 11.052 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.012 9.666 -6.238 1.00 0.00 H new ATOM 714 N ASP A 46 -15.308 9.438 -4.656 1.00 0.00 N ATOM 715 CA ASP A 46 -14.194 8.503 -4.762 1.00 0.00 C ATOM 716 C ASP A 46 -12.944 9.060 -4.063 1.00 0.00 C ATOM 717 O ASP A 46 -12.165 8.298 -3.489 1.00 0.00 O ATOM 718 CB ASP A 46 -13.896 8.304 -6.254 1.00 0.00 C ATOM 719 CG ASP A 46 -12.590 7.546 -6.506 1.00 0.00 C ATOM 720 OD1 ASP A 46 -12.613 6.296 -6.532 1.00 0.00 O ATOM 721 OD2 ASP A 46 -11.575 8.211 -6.817 1.00 0.00 O ATOM 0 H ASP A 46 -14.990 10.374 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.457 7.560 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.721 7.760 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.845 9.277 -6.742 1.00 0.00 H new ATOM 726 N GLY A 47 -12.765 10.388 -4.063 1.00 0.00 N ATOM 727 CA GLY A 47 -11.597 11.066 -3.533 1.00 0.00 C ATOM 728 C GLY A 47 -11.356 12.306 -4.382 1.00 0.00 C ATOM 729 O GLY A 47 -12.285 13.095 -4.588 1.00 0.00 O ATOM 0 H GLY A 47 -13.457 11.031 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.755 11.341 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.728 10.409 -3.561 1.00 0.00 H new ATOM 733 N THR A 48 -10.144 12.467 -4.908 1.00 0.00 N ATOM 734 CA THR A 48 -9.755 13.643 -5.670 1.00 0.00 C ATOM 735 C THR A 48 -9.176 13.174 -7.001 1.00 0.00 C ATOM 736 O THR A 48 -8.603 12.085 -7.082 1.00 0.00 O ATOM 737 CB THR A 48 -8.755 14.508 -4.872 1.00 0.00 C ATOM 738 OG1 THR A 48 -9.050 14.520 -3.480 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.711 15.966 -5.333 1.00 0.00 C ATOM 0 H THR A 48 -9.400 11.776 -4.814 1.00 0.00 H new ATOM 0 HA THR A 48 -10.621 14.277 -5.862 1.00 0.00 H new ATOM 0 HB THR A 48 -7.789 14.039 -5.059 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.394 15.077 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.989 16.516 -4.730 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.416 16.007 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.698 16.414 -5.216 1.00 0.00 H new ATOM 747 N GLU A 49 -9.295 13.994 -8.036 1.00 0.00 N ATOM 748 CA GLU A 49 -8.650 13.806 -9.321 1.00 0.00 C ATOM 749 C GLU A 49 -7.979 15.138 -9.667 1.00 0.00 C ATOM 750 O GLU A 49 -8.644 16.134 -9.952 1.00 0.00 O ATOM 751 CB GLU A 49 -9.647 13.284 -10.377 1.00 0.00 C ATOM 752 CG GLU A 49 -10.018 11.818 -10.076 1.00 0.00 C ATOM 753 CD GLU A 49 -11.022 11.151 -11.038 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.700 11.833 -11.843 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.176 9.907 -10.933 1.00 0.00 O ATOM 0 H GLU A 49 -9.865 14.839 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.885 13.030 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.545 13.902 -10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.208 13.359 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.102 11.227 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.428 11.770 -9.067 1.00 0.00 H new ATOM 762 N THR A 50 -6.651 15.181 -9.567 1.00 0.00 N ATOM 763 CA THR A 50 -5.857 16.355 -9.905 1.00 0.00 C ATOM 764 C THR A 50 -5.625 16.304 -11.411 1.00 0.00 C ATOM 765 O THR A 50 -4.785 15.518 -11.836 1.00 0.00 O ATOM 766 CB THR A 50 -4.540 16.336 -9.111 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.804 16.401 -7.719 1.00 0.00 O ATOM 768 CG2 THR A 50 -3.603 17.494 -9.477 1.00 0.00 C ATOM 0 H THR A 50 -6.092 14.391 -9.245 1.00 0.00 H new ATOM 0 HA THR A 50 -6.363 17.284 -9.644 1.00 0.00 H new ATOM 0 HB THR A 50 -4.044 15.401 -9.372 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.958 16.386 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.691 17.426 -8.884 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.352 17.438 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.099 18.442 -9.272 1.00 0.00 H new ATOM 776 N HIS A 51 -6.350 17.089 -12.206 1.00 0.00 N ATOM 777 CA HIS A 51 -6.294 17.067 -13.665 1.00 0.00 C ATOM 778 C HIS A 51 -5.201 18.010 -14.176 1.00 0.00 C ATOM 779 O HIS A 51 -4.998 19.081 -13.594 1.00 0.00 O ATOM 780 CB HIS A 51 -7.659 17.458 -14.254 1.00 0.00 C ATOM 781 CG HIS A 51 -8.741 16.425 -14.050 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.997 15.346 -14.871 1.00 0.00 N ATOM 783 CD2 HIS A 51 -9.685 16.401 -13.053 1.00 0.00 C ATOM 784 CE1 HIS A 51 -10.048 14.677 -14.364 1.00 0.00 C ATOM 785 NE2 HIS A 51 -10.515 15.292 -13.262 1.00 0.00 N ATOM 0 H HIS A 51 -7.010 17.776 -11.842 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.051 16.055 -13.988 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.980 18.398 -13.804 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.542 17.639 -15.322 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.772 17.114 -12.247 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.460 13.771 -14.784 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.313 15.008 -12.693 1.00 0.00 H new ATOM 793 N PHE A 52 -4.516 17.620 -15.256 1.00 0.00 N ATOM 794 CA PHE A 52 -3.540 18.403 -16.010 1.00 0.00 C ATOM 795 C PHE A 52 -3.397 17.779 -17.413 1.00 0.00 C ATOM 796 O PHE A 52 -4.152 16.873 -17.766 1.00 0.00 O ATOM 797 CB PHE A 52 -2.199 18.476 -15.252 1.00 0.00 C ATOM 798 CG PHE A 52 -1.606 17.175 -14.735 1.00 0.00 C ATOM 799 CD1 PHE A 52 -2.089 16.634 -13.528 1.00 0.00 C ATOM 800 CD2 PHE A 52 -0.520 16.557 -15.388 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.507 15.486 -12.974 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.068 15.407 -14.822 1.00 0.00 C ATOM 803 CZ PHE A 52 -0.422 14.874 -13.619 1.00 0.00 C ATOM 0 H PHE A 52 -4.639 16.687 -15.650 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.879 19.433 -16.123 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.466 18.939 -15.912 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.331 19.145 -14.402 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.917 17.109 -13.024 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.141 16.961 -16.315 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.893 15.074 -12.053 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.902 14.932 -15.318 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.036 13.994 -13.191 1.00 0.00 H new ATOM 813 N SER A 53 -2.439 18.248 -18.217 1.00 0.00 N ATOM 814 CA SER A 53 -2.127 17.715 -19.541 1.00 0.00 C ATOM 815 C SER A 53 -0.620 17.822 -19.773 1.00 0.00 C ATOM 816 O SER A 53 0.033 18.714 -19.221 1.00 0.00 O ATOM 817 CB SER A 53 -2.881 18.463 -20.654 1.00 0.00 C ATOM 818 OG SER A 53 -4.287 18.464 -20.437 1.00 0.00 O ATOM 0 H SER A 53 -1.843 19.033 -17.954 1.00 0.00 H new ATOM 0 HA SER A 53 -2.446 16.673 -19.576 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.522 19.491 -20.708 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.663 17.998 -21.615 1.00 0.00 H new ATOM 0 HG SER A 53 -4.730 18.950 -21.164 1.00 0.00 H new ATOM 824 N ILE A 54 -0.075 16.915 -20.582 1.00 0.00 N ATOM 825 CA ILE A 54 1.326 16.860 -20.982 1.00 0.00 C ATOM 826 C ILE A 54 1.273 16.553 -22.479 1.00 0.00 C ATOM 827 O ILE A 54 0.632 15.584 -22.893 1.00 0.00 O ATOM 828 CB ILE A 54 2.088 15.796 -20.149 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.052 16.166 -18.647 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.549 15.661 -20.622 1.00 0.00 C ATOM 831 CD1 ILE A 54 2.600 15.096 -17.706 1.00 0.00 C ATOM 0 H ILE A 54 -0.627 16.163 -20.995 1.00 0.00 H new ATOM 0 HA ILE A 54 1.875 17.784 -20.799 1.00 0.00 H new ATOM 0 HB ILE A 54 1.592 14.837 -20.294 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.622 17.084 -18.500 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.021 16.382 -18.366 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.058 14.908 -20.020 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.566 15.360 -21.670 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.057 16.619 -20.511 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.532 15.448 -16.676 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.017 14.182 -17.816 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.642 14.894 -17.953 1.00 0.00 H new ATOM 843 N GLY A 55 1.898 17.401 -23.299 1.00 0.00 N ATOM 844 CA GLY A 55 1.732 17.333 -24.745 1.00 0.00 C ATOM 845 C GLY A 55 0.244 17.465 -25.083 1.00 0.00 C ATOM 846 O GLY A 55 -0.456 18.318 -24.527 1.00 0.00 O ATOM 0 H GLY A 55 2.523 18.142 -22.982 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.300 18.129 -25.227 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.122 16.389 -25.125 1.00 0.00 H new ATOM 850 N ASN A 56 -0.251 16.590 -25.963 1.00 0.00 N ATOM 851 CA ASN A 56 -1.664 16.519 -26.348 1.00 0.00 C ATOM 852 C ASN A 56 -2.496 15.638 -25.395 1.00 0.00 C ATOM 853 O ASN A 56 -3.710 15.525 -25.569 1.00 0.00 O ATOM 854 CB ASN A 56 -1.745 16.020 -27.803 1.00 0.00 C ATOM 855 CG ASN A 56 -3.165 16.054 -28.373 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.770 15.017 -28.638 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.718 17.238 -28.609 1.00 0.00 N ATOM 0 H ASN A 56 0.330 15.898 -26.437 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.101 17.515 -26.273 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.095 16.633 -28.427 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.365 15.000 -27.852 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.653 17.293 -29.014 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.208 18.093 -28.386 1.00 0.00 H new ATOM 864 N HIS A 57 -1.872 14.988 -24.406 1.00 0.00 N ATOM 865 CA HIS A 57 -2.510 13.967 -23.580 1.00 0.00 C ATOM 866 C HIS A 57 -2.971 14.600 -22.272 1.00 0.00 C ATOM 867 O HIS A 57 -2.191 15.297 -21.622 1.00 0.00 O ATOM 868 CB HIS A 57 -1.533 12.816 -23.292 1.00 0.00 C ATOM 869 CG HIS A 57 -0.968 12.134 -24.516 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.305 10.884 -24.993 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.033 12.612 -25.322 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.526 10.623 -26.058 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.303 11.655 -26.308 1.00 0.00 N ATOM 0 H HIS A 57 -0.898 15.161 -24.157 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.368 13.560 -24.114 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.706 13.202 -22.696 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.044 12.070 -22.683 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.529 13.565 -25.215 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.560 9.710 -26.634 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.987 11.725 -27.061 1.00 0.00 H new ATOM 881 N ASP A 58 -4.210 14.342 -21.856 1.00 0.00 N ATOM 882 CA ASP A 58 -4.656 14.717 -20.516 1.00 0.00 C ATOM 883 C ASP A 58 -4.184 13.657 -19.521 1.00 0.00 C ATOM 884 O ASP A 58 -4.032 12.477 -19.866 1.00 0.00 O ATOM 885 CB ASP A 58 -6.164 14.955 -20.414 1.00 0.00 C ATOM 886 CG ASP A 58 -6.944 13.670 -20.084 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.281 12.909 -21.022 1.00 0.00 O ATOM 888 OD2 ASP A 58 -7.250 13.439 -18.889 1.00 0.00 O ATOM 0 H ASP A 58 -4.919 13.878 -22.424 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.206 15.680 -20.274 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.359 15.702 -19.645 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.528 15.365 -21.356 1.00 0.00 H new ATOM 893 N CYS A 59 -3.940 14.091 -18.291 1.00 0.00 N ATOM 894 CA CYS A 59 -3.479 13.269 -17.192 1.00 0.00 C ATOM 895 C CYS A 59 -4.264 13.662 -15.949 1.00 0.00 C ATOM 896 O CYS A 59 -4.667 14.821 -15.818 1.00 0.00 O ATOM 897 CB CYS A 59 -1.992 13.520 -16.897 1.00 0.00 C ATOM 898 SG CYS A 59 -1.001 13.773 -18.396 1.00 0.00 S ATOM 0 H CYS A 59 -4.065 15.068 -18.026 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.620 12.221 -17.456 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.898 14.396 -16.255 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.590 12.673 -16.342 1.00 0.00 H new ATOM 0 HG CYS A 59 0.144 13.172 -18.266 1.00 0.00 H new ATOM 904 N TYR A 60 -4.442 12.742 -15.008 1.00 0.00 N ATOM 905 CA TYR A 60 -4.953 13.109 -13.708 1.00 0.00 C ATOM 906 C TYR A 60 -4.341 12.223 -12.643 1.00 0.00 C ATOM 907 O TYR A 60 -4.200 11.023 -12.857 1.00 0.00 O ATOM 908 CB TYR A 60 -6.485 13.157 -13.670 1.00 0.00 C ATOM 909 CG TYR A 60 -7.257 11.874 -13.919 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.376 10.907 -12.907 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.941 11.696 -15.138 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.170 9.766 -13.111 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.784 10.586 -15.328 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.912 9.617 -14.305 1.00 0.00 C ATOM 915 OH TYR A 60 -9.688 8.507 -14.478 1.00 0.00 O ATOM 0 H TYR A 60 -4.240 11.749 -15.126 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.647 14.132 -13.490 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.780 13.537 -12.692 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.812 13.889 -14.408 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.856 11.041 -11.970 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.817 12.417 -15.932 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.214 8.999 -12.352 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.332 10.474 -16.252 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.753 8.299 -15.433 1.00 0.00 H new ATOM 925 N ILE A 61 -3.983 12.779 -11.489 1.00 0.00 N ATOM 926 CA ILE A 61 -3.601 11.949 -10.353 1.00 0.00 C ATOM 927 C ILE A 61 -4.905 11.662 -9.631 1.00 0.00 C ATOM 928 O ILE A 61 -5.542 12.580 -9.115 1.00 0.00 O ATOM 929 CB ILE A 61 -2.520 12.600 -9.474 1.00 0.00 C ATOM 930 CG1 ILE A 61 -1.209 12.776 -10.270 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.249 11.725 -8.233 1.00 0.00 C ATOM 932 CD1 ILE A 61 -0.361 13.925 -9.719 1.00 0.00 C ATOM 0 H ILE A 61 -3.950 13.784 -11.318 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.118 11.022 -10.662 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.880 13.579 -9.158 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.635 11.850 -10.234 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.442 12.966 -11.318 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.482 12.195 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.166 11.621 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.907 10.740 -8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.553 14.017 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.926 14.855 -9.779 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.105 13.722 -8.679 1.00 0.00 H new ATOM 944 N LYS A 62 -5.317 10.400 -9.629 1.00 0.00 N ATOM 945 CA LYS A 62 -6.440 9.918 -8.849 1.00 0.00 C ATOM 946 C LYS A 62 -5.906 9.715 -7.444 1.00 0.00 C ATOM 947 O LYS A 62 -4.866 9.082 -7.280 1.00 0.00 O ATOM 948 CB LYS A 62 -6.950 8.626 -9.507 1.00 0.00 C ATOM 949 CG LYS A 62 -8.351 8.200 -9.055 1.00 0.00 C ATOM 950 CD LYS A 62 -8.857 7.055 -9.955 1.00 0.00 C ATOM 951 CE LYS A 62 -10.244 6.507 -9.588 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.282 7.561 -9.488 1.00 0.00 N ATOM 0 H LYS A 62 -4.867 9.671 -10.183 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.287 10.602 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.955 8.760 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.250 7.820 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.326 7.875 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.035 9.047 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.883 7.408 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.138 6.237 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.549 5.776 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.179 5.979 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.224 7.130 -9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.205 8.038 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.146 8.256 -10.250 1.00 0.00 H new ATOM 966 N ALA A 63 -6.582 10.269 -6.450 1.00 0.00 N ATOM 967 CA ALA A 63 -6.228 10.164 -5.054 1.00 0.00 C ATOM 968 C ALA A 63 -7.476 9.633 -4.364 1.00 0.00 C ATOM 969 O ALA A 63 -8.386 10.395 -4.053 1.00 0.00 O ATOM 970 CB ALA A 63 -5.785 11.534 -4.539 1.00 0.00 C ATOM 0 H ALA A 63 -7.423 10.824 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.390 9.494 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.517 11.457 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.921 11.875 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.601 12.248 -4.655 1.00 0.00 H new ATOM 976 N VAL A 64 -7.553 8.319 -4.209 1.00 0.00 N ATOM 977 CA VAL A 64 -8.742 7.609 -3.778 1.00 0.00 C ATOM 978 C VAL A 64 -8.779 7.595 -2.258 1.00 0.00 C ATOM 979 O VAL A 64 -7.815 7.132 -1.656 1.00 0.00 O ATOM 980 CB VAL A 64 -8.711 6.152 -4.297 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.057 5.467 -4.068 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.324 6.038 -5.776 1.00 0.00 C ATOM 0 H VAL A 64 -6.762 7.700 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.625 8.109 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.933 5.650 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.012 4.444 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.283 5.456 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.838 6.012 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.322 4.989 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.044 6.585 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.330 6.459 -5.925 1.00 0.00 H new ATOM 992 N SER A 65 -9.879 8.000 -1.628 1.00 0.00 N ATOM 993 CA SER A 65 -10.033 8.061 -0.176 1.00 0.00 C ATOM 994 C SER A 65 -10.223 6.683 0.493 1.00 0.00 C ATOM 995 O SER A 65 -10.942 6.565 1.489 1.00 0.00 O ATOM 996 CB SER A 65 -11.140 9.058 0.184 1.00 0.00 C ATOM 997 OG SER A 65 -10.880 10.315 -0.422 1.00 0.00 O ATOM 0 H SER A 65 -10.714 8.304 -2.129 1.00 0.00 H new ATOM 0 HA SER A 65 -9.092 8.422 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.105 8.677 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.199 9.173 1.266 1.00 0.00 H new ATOM 0 HG SER A 65 -11.593 10.945 -0.188 1.00 0.00 H new ATOM 1003 N SER A 66 -9.596 5.633 -0.045 1.00 0.00 N ATOM 1004 CA SER A 66 -9.509 4.328 0.594 1.00 0.00 C ATOM 1005 C SER A 66 -8.659 4.437 1.873 1.00 0.00 C ATOM 1006 O SER A 66 -7.795 5.314 1.984 1.00 0.00 O ATOM 1007 CB SER A 66 -8.902 3.322 -0.396 1.00 0.00 C ATOM 1008 OG SER A 66 -9.698 3.237 -1.568 1.00 0.00 O ATOM 0 H SER A 66 -9.129 5.672 -0.951 1.00 0.00 H new ATOM 0 HA SER A 66 -10.502 3.978 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.889 3.627 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.828 2.341 0.073 1.00 0.00 H new ATOM 0 HG SER A 66 -9.298 2.594 -2.189 1.00 0.00 H new ATOM 1014 N GLY A 67 -8.881 3.530 2.827 1.00 0.00 N ATOM 1015 CA GLY A 67 -8.155 3.509 4.093 1.00 0.00 C ATOM 1016 C GLY A 67 -8.491 4.733 4.943 1.00 0.00 C ATOM 1017 O GLY A 67 -9.586 5.298 4.842 1.00 0.00 O ATOM 0 H GLY A 67 -9.574 2.787 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.404 2.602 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.083 3.480 3.900 1.00 0.00 H new ATOM 1021 N LYS A 68 -7.552 5.150 5.799 1.00 0.00 N ATOM 1022 CA LYS A 68 -7.718 6.351 6.619 1.00 0.00 C ATOM 1023 C LYS A 68 -7.695 7.571 5.700 1.00 0.00 C ATOM 1024 O LYS A 68 -6.822 7.685 4.843 1.00 0.00 O ATOM 1025 CB LYS A 68 -6.624 6.427 7.708 1.00 0.00 C ATOM 1026 CG LYS A 68 -6.591 5.233 8.677 1.00 0.00 C ATOM 1027 CD LYS A 68 -7.885 5.048 9.483 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.698 3.924 10.515 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.911 3.709 11.346 1.00 0.00 N ATOM 0 H LYS A 68 -6.664 4.669 5.941 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.674 6.320 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.652 6.508 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.769 7.340 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.395 4.323 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.759 5.363 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.146 5.978 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.710 4.806 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.447 2.998 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.856 4.166 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.735 2.942 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.138 4.583 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.711 3.451 10.733 1.00 0.00 H new ATOM 1043 N ARG A 69 -8.605 8.524 5.905 1.00 0.00 N ATOM 1044 CA ARG A 69 -8.729 9.696 5.025 1.00 0.00 C ATOM 1045 C ARG A 69 -7.568 10.682 5.206 1.00 0.00 C ATOM 1046 O ARG A 69 -7.362 11.526 4.337 1.00 0.00 O ATOM 1047 CB ARG A 69 -10.094 10.377 5.262 1.00 0.00 C ATOM 1048 CG ARG A 69 -11.270 9.762 4.481 1.00 0.00 C ATOM 1049 CD ARG A 69 -11.471 8.250 4.669 1.00 0.00 C ATOM 1050 NE ARG A 69 -12.742 7.802 4.069 1.00 0.00 N ATOM 1051 CZ ARG A 69 -13.156 6.531 3.953 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -12.369 5.514 4.300 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -14.381 6.284 3.498 1.00 0.00 N ATOM 0 H ARG A 69 -9.272 8.510 6.676 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.678 9.355 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.324 10.337 6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.010 11.430 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.186 10.272 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.123 9.962 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.641 7.711 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.463 8.009 5.732 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.364 8.526 3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.432 5.694 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.703 4.555 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.995 7.057 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.706 5.322 3.406 1.00 0.00 H new ATOM 1067 N LYS A 70 -6.807 10.596 6.307 1.00 0.00 N ATOM 1068 CA LYS A 70 -5.737 11.551 6.596 1.00 0.00 C ATOM 1069 C LYS A 70 -4.592 11.398 5.592 1.00 0.00 C ATOM 1070 O LYS A 70 -4.226 12.375 4.942 1.00 0.00 O ATOM 1071 CB LYS A 70 -5.327 11.424 8.079 1.00 0.00 C ATOM 1072 CG LYS A 70 -4.418 12.559 8.588 1.00 0.00 C ATOM 1073 CD LYS A 70 -2.921 12.212 8.547 1.00 0.00 C ATOM 1074 CE LYS A 70 -2.099 13.376 9.127 1.00 0.00 C ATOM 1075 NZ LYS A 70 -0.660 13.035 9.275 1.00 0.00 N ATOM 0 H LYS A 70 -6.917 9.869 7.013 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.084 12.576 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.228 11.395 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.814 10.473 8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.593 13.451 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.698 12.806 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.734 11.303 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.613 12.013 7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.198 14.246 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.505 13.655 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.106 13.908 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.531 12.432 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.335 12.526 8.428 1.00 0.00 H new ATOM 1089 N GLU A 71 -4.044 10.184 5.448 1.00 0.00 N ATOM 1090 CA GLU A 71 -2.924 9.891 4.546 1.00 0.00 C ATOM 1091 C GLU A 71 -3.016 8.511 3.870 1.00 0.00 C ATOM 1092 O GLU A 71 -2.148 8.173 3.064 1.00 0.00 O ATOM 1093 CB GLU A 71 -1.588 10.054 5.300 1.00 0.00 C ATOM 1094 CG GLU A 71 -0.942 11.426 5.062 1.00 0.00 C ATOM 1095 CD GLU A 71 0.412 11.544 5.782 1.00 0.00 C ATOM 1096 OE1 GLU A 71 1.453 11.162 5.194 1.00 0.00 O ATOM 1097 OE2 GLU A 71 0.439 12.031 6.940 1.00 0.00 O ATOM 0 H GLU A 71 -4.372 9.367 5.963 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.977 10.615 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.758 9.916 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.898 9.271 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.801 11.583 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.612 12.211 5.414 1.00 0.00 H new ATOM 1104 N GLY A 72 -4.052 7.708 4.149 1.00 0.00 N ATOM 1105 CA GLY A 72 -4.220 6.374 3.562 1.00 0.00 C ATOM 1106 C GLY A 72 -4.638 6.406 2.091 1.00 0.00 C ATOM 1107 O GLY A 72 -4.570 5.383 1.404 1.00 0.00 O ATOM 0 H GLY A 72 -4.800 7.968 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.283 5.824 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.969 5.826 4.133 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.050 7.588 1.625 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.510 7.901 0.281 1.00 0.00 C ATOM 1113 C ILE A 73 -4.529 7.323 -0.752 1.00 0.00 C ATOM 1114 O ILE A 73 -3.326 7.606 -0.698 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.679 9.436 0.186 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.741 9.871 1.232 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -6.009 9.897 -1.244 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -7.534 11.136 0.911 1.00 0.00 C ATOM 0 H ILE A 73 -5.070 8.410 2.229 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.475 7.443 0.063 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.735 9.929 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.446 9.050 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.239 10.017 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.118 10.981 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.203 9.603 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.940 9.433 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.242 11.335 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.850 11.979 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.076 10.998 -0.024 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.035 6.535 -1.706 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.208 5.833 -2.680 1.00 0.00 C ATOM 1132 C ILE A 74 -3.998 6.788 -3.846 1.00 0.00 C ATOM 1133 O ILE A 74 -4.981 7.203 -4.461 1.00 0.00 O ATOM 1134 CB ILE A 74 -4.871 4.503 -3.110 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -5.085 3.544 -1.916 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -4.090 3.807 -4.243 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -3.812 3.058 -1.213 1.00 0.00 C ATOM 0 H ILE A 74 -6.035 6.369 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.243 5.553 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.855 4.765 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.715 4.045 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.638 2.673 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.591 2.878 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.049 4.463 -5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.077 3.588 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.081 2.392 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.185 2.521 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.264 3.914 -0.820 1.00 0.00 H new ATOM 1149 N HIS A 75 -2.746 7.135 -4.147 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.418 8.023 -5.254 1.00 0.00 C ATOM 1151 C HIS A 75 -1.984 7.188 -6.458 1.00 0.00 C ATOM 1152 O HIS A 75 -1.096 6.342 -6.328 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.339 9.027 -4.835 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.847 10.075 -3.875 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.117 9.913 -2.531 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.131 11.378 -4.184 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.530 11.099 -2.050 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.565 12.024 -3.023 1.00 0.00 N ATOM 0 H HIS A 75 -1.932 6.806 -3.627 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.298 8.601 -5.537 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.511 8.490 -4.372 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.943 9.518 -5.724 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.021 9.049 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.036 11.830 -5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.798 11.283 -1.020 1.00 0.00 H new ATOM 1166 N THR A 76 -2.558 7.473 -7.627 1.00 0.00 N ATOM 1167 CA THR A 76 -2.230 6.831 -8.892 1.00 0.00 C ATOM 1168 C THR A 76 -2.233 7.891 -9.984 1.00 0.00 C ATOM 1169 O THR A 76 -3.123 8.737 -9.997 1.00 0.00 O ATOM 1170 CB THR A 76 -3.254 5.727 -9.229 1.00 0.00 C ATOM 1171 OG1 THR A 76 -3.588 4.948 -8.085 1.00 0.00 O ATOM 1172 CG2 THR A 76 -2.675 4.819 -10.311 1.00 0.00 C ATOM 0 H THR A 76 -3.287 8.180 -7.718 1.00 0.00 H new ATOM 0 HA THR A 76 -1.247 6.365 -8.818 1.00 0.00 H new ATOM 0 HB THR A 76 -4.166 6.208 -9.582 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.239 4.260 -8.336 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.395 4.037 -10.553 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.464 5.407 -11.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.753 4.364 -9.949 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.290 7.844 -10.926 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.362 8.685 -12.109 1.00 0.00 C ATOM 1182 C LEU A 77 -2.191 7.957 -13.148 1.00 0.00 C ATOM 1183 O LEU A 77 -1.982 6.775 -13.391 1.00 0.00 O ATOM 1184 CB LEU A 77 0.045 9.002 -12.633 1.00 0.00 C ATOM 1185 CG LEU A 77 0.047 9.814 -13.938 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.444 11.244 -13.706 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.457 9.854 -14.524 1.00 0.00 C ATOM 0 H LEU A 77 -0.473 7.234 -10.888 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.832 9.639 -11.871 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.592 9.556 -11.870 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.582 8.068 -12.795 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.632 9.325 -14.636 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.430 11.791 -14.649 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.461 11.221 -13.315 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.209 11.741 -12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.450 10.431 -15.449 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.135 10.321 -13.810 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.793 8.838 -14.733 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.125 8.653 -13.771 1.00 0.00 N ATOM 1200 CA ILE A 78 -3.862 8.213 -14.933 1.00 0.00 C ATOM 1201 C ILE A 78 -3.389 9.131 -16.071 1.00 0.00 C ATOM 1202 O ILE A 78 -3.189 10.327 -15.850 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.382 8.280 -14.658 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -5.944 7.032 -13.941 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.172 8.486 -15.953 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -5.385 6.815 -12.540 1.00 0.00 C ATOM 0 H ILE A 78 -3.400 9.585 -13.462 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.680 7.172 -15.199 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.505 9.133 -13.991 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.029 7.120 -13.878 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.730 6.151 -14.546 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.237 8.529 -15.726 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.863 9.420 -16.423 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.979 7.656 -16.633 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.829 5.920 -12.106 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.303 6.693 -12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.622 7.677 -11.916 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.229 8.606 -17.284 1.00 0.00 N ATOM 1219 CA VAL A 79 -2.912 9.363 -18.486 1.00 0.00 C ATOM 1220 C VAL A 79 -3.763 8.798 -19.615 1.00 0.00 C ATOM 1221 O VAL A 79 -3.838 7.579 -19.757 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.407 9.287 -18.804 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.031 10.154 -20.014 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.568 9.725 -17.599 1.00 0.00 C ATOM 0 H VAL A 79 -3.321 7.605 -17.460 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.137 10.421 -18.349 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.193 8.245 -19.041 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.039 10.071 -20.203 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.582 9.813 -20.891 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.283 11.194 -19.809 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.491 9.662 -17.851 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.818 10.753 -17.336 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.779 9.072 -16.752 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.417 9.658 -20.400 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.344 9.265 -21.472 1.00 0.00 C ATOM 1236 C ASP A 80 -6.382 8.238 -20.984 1.00 0.00 C ATOM 1237 O ASP A 80 -6.732 7.282 -21.675 1.00 0.00 O ATOM 1238 CB ASP A 80 -4.573 8.838 -22.730 1.00 0.00 C ATOM 1239 CG ASP A 80 -5.501 8.596 -23.939 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.439 9.397 -24.169 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -5.248 7.635 -24.705 1.00 0.00 O ATOM 0 H ASP A 80 -4.317 10.669 -20.309 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.932 10.135 -21.763 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.844 9.608 -22.984 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.014 7.927 -22.517 1.00 0.00 H new ATOM 1246 N ASN A 81 -6.843 8.418 -19.739 1.00 0.00 N ATOM 1247 CA ASN A 81 -7.746 7.533 -18.996 1.00 0.00 C ATOM 1248 C ASN A 81 -7.201 6.117 -18.710 1.00 0.00 C ATOM 1249 O ASN A 81 -7.944 5.266 -18.218 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.157 7.529 -19.617 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.228 7.044 -18.637 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.229 7.412 -17.463 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.184 6.248 -19.095 1.00 0.00 N ATOM 0 H ASN A 81 -6.578 9.237 -19.191 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.820 7.968 -17.999 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.406 8.536 -19.953 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.160 6.889 -20.499 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.929 5.935 -18.472 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.175 5.948 -20.070 1.00 0.00 H new ATOM 1260 N ARG A 82 -5.919 5.832 -18.977 1.00 0.00 N ATOM 1261 CA ARG A 82 -5.240 4.598 -18.602 1.00 0.00 C ATOM 1262 C ARG A 82 -4.529 4.797 -17.282 1.00 0.00 C ATOM 1263 O ARG A 82 -4.051 5.889 -16.995 1.00 0.00 O ATOM 1264 CB ARG A 82 -4.237 4.178 -19.687 1.00 0.00 C ATOM 1265 CG ARG A 82 -4.937 3.491 -20.857 1.00 0.00 C ATOM 1266 CD ARG A 82 -5.727 4.422 -21.778 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.250 3.716 -22.959 1.00 0.00 N ATOM 1268 CZ ARG A 82 -7.121 4.232 -23.839 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -7.563 5.480 -23.700 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -7.556 3.487 -24.853 1.00 0.00 N ATOM 0 H ARG A 82 -5.311 6.481 -19.477 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.980 3.804 -18.500 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.700 5.055 -20.047 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.496 3.504 -19.258 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.188 2.967 -21.451 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.616 2.735 -20.461 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.555 4.863 -21.223 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.086 5.242 -22.101 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.926 2.763 -23.120 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.239 6.052 -22.920 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.225 5.865 -24.374 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.227 2.527 -24.959 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.218 3.876 -25.524 1.00 0.00 H new ATOM 1284 N GLU A 83 -4.434 3.736 -16.493 1.00 0.00 N ATOM 1285 CA GLU A 83 -3.846 3.775 -15.166 1.00 0.00 C ATOM 1286 C GLU A 83 -2.345 3.480 -15.246 1.00 0.00 C ATOM 1287 O GLU A 83 -1.934 2.533 -15.924 1.00 0.00 O ATOM 1288 CB GLU A 83 -4.624 2.823 -14.251 1.00 0.00 C ATOM 1289 CG GLU A 83 -4.059 2.802 -12.833 1.00 0.00 C ATOM 1290 CD GLU A 83 -4.884 1.882 -11.917 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -4.564 0.673 -11.819 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -5.852 2.362 -11.279 1.00 0.00 O ATOM 0 H GLU A 83 -4.769 2.811 -16.763 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.926 4.770 -14.729 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.671 3.125 -14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.595 1.816 -14.667 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.024 2.462 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.053 3.813 -12.426 1.00 0.00 H new ATOM 1299 N ILE A 84 -1.540 4.288 -14.547 1.00 0.00 N ATOM 1300 CA ILE A 84 -0.085 4.255 -14.542 1.00 0.00 C ATOM 1301 C ILE A 84 0.386 3.937 -13.106 1.00 0.00 C ATOM 1302 O ILE A 84 0.180 4.754 -12.203 1.00 0.00 O ATOM 1303 CB ILE A 84 0.485 5.600 -15.062 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.135 6.091 -16.390 1.00 0.00 C ATOM 1305 CG2 ILE A 84 2.011 5.511 -15.177 1.00 0.00 C ATOM 1306 CD1 ILE A 84 0.018 5.151 -17.590 1.00 0.00 C ATOM 0 H ILE A 84 -1.912 5.018 -13.940 1.00 0.00 H new ATOM 0 HA ILE A 84 0.286 3.479 -15.212 1.00 0.00 H new ATOM 0 HB ILE A 84 0.205 6.350 -14.323 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.198 6.271 -16.227 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.315 7.050 -16.645 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.404 6.459 -15.543 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.438 5.295 -14.198 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.278 4.715 -15.872 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.454 5.598 -18.465 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.077 4.989 -17.792 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.460 4.197 -17.368 1.00 0.00 H new ATOM 1318 N PRO A 85 1.027 2.778 -12.870 1.00 0.00 N ATOM 1319 CA PRO A 85 1.625 2.424 -11.584 1.00 0.00 C ATOM 1320 C PRO A 85 2.797 3.345 -11.217 1.00 0.00 C ATOM 1321 O PRO A 85 3.537 3.786 -12.102 1.00 0.00 O ATOM 1322 CB PRO A 85 2.106 0.972 -11.728 1.00 0.00 C ATOM 1323 CG PRO A 85 1.316 0.424 -12.914 1.00 0.00 C ATOM 1324 CD PRO A 85 1.114 1.656 -13.789 1.00 0.00 C ATOM 0 HA PRO A 85 0.896 2.536 -10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.180 0.926 -11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.912 0.398 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.865 -0.358 -13.438 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.366 -0.009 -12.601 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.943 1.783 -14.485 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.207 1.568 -14.387 1.00 0.00 H new ATOM 1332 N GLU A 86 2.998 3.592 -9.914 1.00 0.00 N ATOM 1333 CA GLU A 86 4.186 4.268 -9.393 1.00 0.00 C ATOM 1334 C GLU A 86 5.456 3.522 -9.826 1.00 0.00 C ATOM 1335 O GLU A 86 5.432 2.315 -10.103 1.00 0.00 O ATOM 1336 CB GLU A 86 4.138 4.379 -7.858 1.00 0.00 C ATOM 1337 CG GLU A 86 3.889 5.822 -7.396 1.00 0.00 C ATOM 1338 CD GLU A 86 4.706 6.141 -6.137 1.00 0.00 C ATOM 1339 OE1 GLU A 86 5.874 6.580 -6.269 1.00 0.00 O ATOM 1340 OE2 GLU A 86 4.164 5.997 -5.017 1.00 0.00 O ATOM 0 H GLU A 86 2.332 3.324 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 86 4.205 5.277 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.350 3.733 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.078 4.021 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.157 6.515 -8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.828 5.965 -7.192 1.00 0.00 H new ATOM 1347 N ILE A 87 6.578 4.245 -9.844 1.00 0.00 N ATOM 1348 CA ILE A 87 7.888 3.687 -10.160 1.00 0.00 C ATOM 1349 C ILE A 87 8.275 2.559 -9.193 1.00 0.00 C ATOM 1350 O ILE A 87 7.855 2.538 -8.031 1.00 0.00 O ATOM 1351 CB ILE A 87 8.975 4.782 -10.168 1.00 0.00 C ATOM 1352 CG1 ILE A 87 9.035 5.592 -8.861 1.00 0.00 C ATOM 1353 CG2 ILE A 87 8.813 5.664 -11.416 1.00 0.00 C ATOM 1354 CD1 ILE A 87 10.353 6.366 -8.701 1.00 0.00 C ATOM 0 H ILE A 87 6.599 5.244 -9.637 1.00 0.00 H new ATOM 0 HA ILE A 87 7.819 3.262 -11.161 1.00 0.00 H new ATOM 0 HB ILE A 87 9.946 4.290 -10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.201 6.294 -8.835 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.910 4.917 -8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.582 6.436 -11.418 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.913 5.050 -12.311 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.829 6.132 -11.405 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.339 6.919 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.188 5.666 -8.697 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.468 7.064 -9.531 1.00 0.00 H new ATOM 1366 N ALA A 88 9.119 1.641 -9.678 1.00 0.00 N ATOM 1367 CA ALA A 88 9.758 0.635 -8.849 1.00 0.00 C ATOM 1368 C ALA A 88 11.076 1.224 -8.350 1.00 0.00 C ATOM 1369 O ALA A 88 12.095 1.187 -9.050 1.00 0.00 O ATOM 1370 CB ALA A 88 9.967 -0.659 -9.631 1.00 0.00 C ATOM 0 H ALA A 88 9.374 1.582 -10.664 1.00 0.00 H new ATOM 0 HA ALA A 88 9.128 0.375 -7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.447 -1.398 -8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.003 -1.041 -9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.600 -0.463 -10.496 1.00 0.00 H new ATOM 1376 N SER A 89 11.029 1.817 -7.160 1.00 0.00 N ATOM 1377 CA SER A 89 12.201 2.349 -6.481 1.00 0.00 C ATOM 1378 C SER A 89 13.153 1.204 -6.121 1.00 0.00 C ATOM 1379 O SER A 89 14.386 1.381 -6.256 1.00 0.00 O ATOM 1380 CB SER A 89 11.784 3.133 -5.229 1.00 0.00 C ATOM 1381 OG SER A 89 10.774 4.091 -5.543 1.00 0.00 O ATOM 1382 OXT SER A 89 12.673 0.125 -5.699 1.00 0.00 O ATOM 0 H SER A 89 10.163 1.942 -6.636 1.00 0.00 H new ATOM 0 HA SER A 89 12.721 3.037 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.414 2.444 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.652 3.639 -4.805 1.00 0.00 H new ATOM 0 HG SER A 89 10.522 4.578 -4.731 1.00 0.00 H new TER 1388 SER A 89