USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 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 64 THR OG1 : rot -32:sc= 0.358 USER MOD Set 1.2: A 76 GLN : amide:sc= -3.45! K(o=-3.1!,f=-6.4) USER MOD Set 1.3: A 85 LYS NZ :NH3+ -168:sc= -0.0499 (180deg=-0.0748) USER MOD Set 2.1: A 60 GLN : amide:sc= -0.624 K(o=0.15,f=-0.73) USER MOD Set 2.2: A 74 SER OG : rot -61:sc= 0.77 USER MOD Set 3.1: A 63 GLN : amide:sc= -1.46 K(o=-9.4,f=-6.6) USER MOD Set 3.2: A 65 HIS : no HD1:sc= -7.94! C(o=-9.4!,f=-6.6!) USER MOD Set 4.1: A 35 GLN : amide:sc= -1.74 K(o=-1.7,f=-8.2!) USER MOD Set 4.2: A 51 LYS NZ :NH3+ -158:sc= 0.0794 (180deg=-0.382) USER MOD Set 5.1: A 40 THR OG1 : rot 169:sc= 2.04 USER MOD Set 5.2: A 47 TYR OH : rot 152:sc= 0.211 USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.0496 (180deg=-0.343) USER MOD Single : A 7 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.028) USER MOD Single : A 12 ASN : amide:sc= -2.75! K(o=-2.7!,f=-0.67) USER MOD Single : A 13 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-4.2) USER MOD Single : A 16 SER OG : rot -38:sc= 0.467 USER MOD Single : A 17 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0068) USER MOD Single : A 20 THR OG1 : rot -122:sc= 0.4 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 23 ASN : amide:sc= 0.244 K(o=0.24,f=-0.27) USER MOD Single : A 26 HIS : no HE2:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0203) USER MOD Single : A 30 SER OG : rot 180:sc= 0.151 USER MOD Single : A 32 TYR OH : rot 25:sc= 1.2 USER MOD Single : A 33 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.0037) USER MOD Single : A 34 SER OG : rot -120:sc= -0.757 USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= -1.34 (180deg=-1.9) USER MOD Single : A 46 SER OG : rot 180:sc= -1.69! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.758 K(o=-0.76,f=-3.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.77! K(o=-4.8!,f=-2.7) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0163) USER MOD Single : A 72 GLN : amide:sc= -6.92! C(o=-6.9!,f=-8.9!) USER MOD Single : A 75 SER OG : rot -120:sc= -0.108 USER MOD Single : A 82 THR OG1 : rot -92:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -20.920 21.943 8.549 1.00 0.00 N ATOM 2 CA LEU A 1 -20.979 20.476 8.259 1.00 0.00 C ATOM 3 C LEU A 1 -22.142 19.821 9.012 1.00 0.00 C ATOM 4 O LEU A 1 -22.775 20.436 9.850 1.00 0.00 O ATOM 5 CB LEU A 1 -19.629 19.908 8.724 1.00 0.00 C ATOM 6 CG LEU A 1 -19.499 20.011 10.249 1.00 0.00 C ATOM 7 CD1 LEU A 1 -19.356 18.622 10.877 1.00 0.00 C ATOM 8 CD2 LEU A 1 -18.286 20.875 10.601 1.00 0.00 C ATOM 0 H1 LEU A 1 -19.930 22.229 8.690 1.00 0.00 H new ATOM 0 H2 LEU A 1 -21.323 22.472 7.749 1.00 0.00 H new ATOM 0 H3 LEU A 1 -21.466 22.149 9.410 1.00 0.00 H new ATOM 0 HA LEU A 1 -21.149 20.280 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -19.540 18.866 8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -18.815 20.453 8.246 1.00 0.00 H new ATOM 0 HG LEU A 1 -20.402 20.473 10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -19.265 18.719 11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -20.235 18.023 10.639 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -18.466 18.133 10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -18.194 20.948 11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -17.384 20.421 10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -18.415 21.872 10.180 1.00 0.00 H new ATOM 22 N ASP A 2 -22.421 18.576 8.704 1.00 0.00 N ATOM 23 CA ASP A 2 -23.543 17.843 9.369 1.00 0.00 C ATOM 24 C ASP A 2 -24.824 18.700 9.409 1.00 0.00 C ATOM 25 O ASP A 2 -25.336 18.998 10.473 1.00 0.00 O ATOM 26 CB ASP A 2 -23.041 17.534 10.781 1.00 0.00 C ATOM 27 CG ASP A 2 -23.559 16.160 11.215 1.00 0.00 C ATOM 28 OD1 ASP A 2 -24.696 16.087 11.651 1.00 0.00 O ATOM 29 OD2 ASP A 2 -22.811 15.204 11.101 1.00 0.00 O ATOM 0 H ASP A 2 -21.910 18.030 8.010 1.00 0.00 H new ATOM 0 HA ASP A 2 -23.809 16.936 8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -21.951 17.548 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -23.383 18.300 11.476 1.00 0.00 H new ATOM 34 N PRO A 3 -25.311 19.051 8.239 1.00 0.00 N ATOM 35 CA PRO A 3 -26.546 19.852 8.136 1.00 0.00 C ATOM 36 C PRO A 3 -27.745 18.891 8.152 1.00 0.00 C ATOM 37 O PRO A 3 -28.290 18.594 9.200 1.00 0.00 O ATOM 38 CB PRO A 3 -26.390 20.571 6.796 1.00 0.00 C ATOM 39 CG PRO A 3 -25.457 19.711 5.986 1.00 0.00 C ATOM 40 CD PRO A 3 -24.767 18.733 6.916 1.00 0.00 C ATOM 0 HA PRO A 3 -26.708 20.562 8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -27.352 20.684 6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -25.982 21.572 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.011 19.174 5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -24.720 20.330 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -24.978 17.701 6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -23.684 18.855 6.891 1.00 0.00 H new ATOM 48 N VAL A 4 -28.119 18.354 7.013 1.00 0.00 N ATOM 49 CA VAL A 4 -29.230 17.356 6.978 1.00 0.00 C ATOM 50 C VAL A 4 -28.678 16.062 7.583 1.00 0.00 C ATOM 51 O VAL A 4 -29.154 15.562 8.583 1.00 0.00 O ATOM 52 CB VAL A 4 -29.550 17.175 5.488 1.00 0.00 C ATOM 53 CG1 VAL A 4 -30.339 15.905 5.149 1.00 0.00 C ATOM 54 CG2 VAL A 4 -30.378 18.378 5.023 1.00 0.00 C ATOM 0 H VAL A 4 -27.701 18.566 6.107 1.00 0.00 H new ATOM 0 HA VAL A 4 -30.123 17.650 7.529 1.00 0.00 H new ATOM 0 HB VAL A 4 -28.589 17.090 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -30.518 15.864 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -29.768 15.029 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -31.293 15.918 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -30.616 18.269 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -31.302 18.429 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -29.806 19.293 5.173 1.00 0.00 H new ATOM 64 N ASP A 5 -27.625 15.574 6.984 1.00 0.00 N ATOM 65 CA ASP A 5 -26.922 14.358 7.476 1.00 0.00 C ATOM 66 C ASP A 5 -25.466 14.480 7.000 1.00 0.00 C ATOM 67 O ASP A 5 -24.595 14.758 7.801 1.00 0.00 O ATOM 68 CB ASP A 5 -27.651 13.156 6.865 1.00 0.00 C ATOM 69 CG ASP A 5 -28.284 12.314 7.977 1.00 0.00 C ATOM 70 OD1 ASP A 5 -27.618 11.418 8.466 1.00 0.00 O ATOM 71 OD2 ASP A 5 -29.425 12.579 8.318 1.00 0.00 O ATOM 0 H ASP A 5 -27.212 15.984 6.146 1.00 0.00 H new ATOM 0 HA ASP A 5 -26.922 14.241 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -28.420 13.499 6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -26.952 12.549 6.290 1.00 0.00 H new ATOM 76 N PRO A 6 -25.248 14.355 5.701 1.00 0.00 N ATOM 77 CA PRO A 6 -23.907 14.544 5.134 1.00 0.00 C ATOM 78 C PRO A 6 -23.833 15.983 4.602 1.00 0.00 C ATOM 79 O PRO A 6 -24.739 16.766 4.821 1.00 0.00 O ATOM 80 CB PRO A 6 -23.872 13.539 3.991 1.00 0.00 C ATOM 81 CG PRO A 6 -25.316 13.330 3.606 1.00 0.00 C ATOM 82 CD PRO A 6 -26.194 14.022 4.631 1.00 0.00 C ATOM 0 HA PRO A 6 -23.081 14.399 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.291 13.918 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.408 12.603 4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -25.505 13.734 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -25.547 12.265 3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -26.669 14.913 4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.992 13.370 4.986 1.00 0.00 H new ATOM 90 N ASN A 7 -22.801 16.347 3.892 1.00 0.00 N ATOM 91 CA ASN A 7 -22.752 17.744 3.359 1.00 0.00 C ATOM 92 C ASN A 7 -23.729 17.880 2.184 1.00 0.00 C ATOM 93 O ASN A 7 -24.585 18.746 2.179 1.00 0.00 O ATOM 94 CB ASN A 7 -21.305 17.966 2.904 1.00 0.00 C ATOM 95 CG ASN A 7 -20.401 18.109 4.133 1.00 0.00 C ATOM 96 OD1 ASN A 7 -20.438 19.112 4.817 1.00 0.00 O ATOM 97 ND2 ASN A 7 -19.587 17.139 4.442 1.00 0.00 N ATOM 0 H ASN A 7 -22.004 15.755 3.660 1.00 0.00 H new ATOM 0 HA ASN A 7 -23.042 18.484 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -20.973 17.129 2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -21.240 18.861 2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -18.981 17.222 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.556 16.297 3.868 1.00 0.00 H new ATOM 104 N ILE A 8 -23.623 17.019 1.203 1.00 0.00 N ATOM 105 CA ILE A 8 -24.561 17.075 0.033 1.00 0.00 C ATOM 106 C ILE A 8 -25.023 15.656 -0.356 1.00 0.00 C ATOM 107 O ILE A 8 -25.445 15.424 -1.475 1.00 0.00 O ATOM 108 CB ILE A 8 -23.779 17.746 -1.125 1.00 0.00 C ATOM 109 CG1 ILE A 8 -22.825 16.746 -1.811 1.00 0.00 C ATOM 110 CG2 ILE A 8 -22.986 18.953 -0.604 1.00 0.00 C ATOM 111 CD1 ILE A 8 -21.733 16.269 -0.848 1.00 0.00 C ATOM 0 H ILE A 8 -22.926 16.276 1.159 1.00 0.00 H new ATOM 0 HA ILE A 8 -25.460 17.643 0.271 1.00 0.00 H new ATOM 0 HB ILE A 8 -24.505 18.085 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -23.393 15.889 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -22.366 17.216 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -22.442 19.414 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -23.673 19.680 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -22.279 18.623 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.077 15.566 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -21.151 17.124 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -22.193 15.777 0.009 1.00 0.00 H new ATOM 123 N GLU A 9 -24.945 14.711 0.562 1.00 0.00 N ATOM 124 CA GLU A 9 -25.364 13.297 0.262 1.00 0.00 C ATOM 125 C GLU A 9 -24.763 12.838 -1.079 1.00 0.00 C ATOM 126 O GLU A 9 -25.479 12.611 -2.036 1.00 0.00 O ATOM 127 CB GLU A 9 -26.898 13.332 0.200 1.00 0.00 C ATOM 128 CG GLU A 9 -27.446 11.900 0.177 1.00 0.00 C ATOM 129 CD GLU A 9 -28.765 11.841 0.954 1.00 0.00 C ATOM 130 OE1 GLU A 9 -29.796 12.102 0.354 1.00 0.00 O ATOM 131 OE2 GLU A 9 -28.721 11.531 2.134 1.00 0.00 O ATOM 0 H GLU A 9 -24.606 14.862 1.512 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.014 12.593 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.294 13.870 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -27.224 13.871 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.604 11.577 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -26.721 11.216 0.618 1.00 0.00 H new ATOM 138 N PRO A 10 -23.452 12.747 -1.108 1.00 0.00 N ATOM 139 CA PRO A 10 -22.735 12.346 -2.341 1.00 0.00 C ATOM 140 C PRO A 10 -22.550 10.827 -2.430 1.00 0.00 C ATOM 141 O PRO A 10 -21.464 10.339 -2.688 1.00 0.00 O ATOM 142 CB PRO A 10 -21.385 13.009 -2.181 1.00 0.00 C ATOM 143 CG PRO A 10 -21.189 13.141 -0.698 1.00 0.00 C ATOM 144 CD PRO A 10 -22.526 13.016 -0.009 1.00 0.00 C ATOM 0 HA PRO A 10 -23.277 12.635 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.595 12.408 -2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.363 13.983 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.508 12.370 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.734 14.103 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -22.526 12.208 0.723 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -22.790 13.929 0.524 1.00 0.00 H new ATOM 152 N TRP A 11 -23.594 10.082 -2.245 1.00 0.00 N ATOM 153 CA TRP A 11 -23.481 8.599 -2.344 1.00 0.00 C ATOM 154 C TRP A 11 -24.095 8.157 -3.683 1.00 0.00 C ATOM 155 O TRP A 11 -24.719 7.128 -3.796 1.00 0.00 O ATOM 156 CB TRP A 11 -24.281 8.074 -1.144 1.00 0.00 C ATOM 157 CG TRP A 11 -23.716 8.630 0.128 1.00 0.00 C ATOM 158 CD1 TRP A 11 -24.023 9.839 0.650 1.00 0.00 C ATOM 159 CD2 TRP A 11 -22.755 8.024 1.042 1.00 0.00 C ATOM 160 NE1 TRP A 11 -23.314 10.014 1.824 1.00 0.00 N ATOM 161 CE2 TRP A 11 -22.519 8.922 2.108 1.00 0.00 C ATOM 162 CE3 TRP A 11 -22.073 6.794 1.051 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -21.638 8.609 3.142 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -21.186 6.482 2.090 1.00 0.00 C ATOM 165 CH2 TRP A 11 -20.971 7.387 3.131 1.00 0.00 C ATOM 0 H TRP A 11 -24.527 10.432 -2.028 1.00 0.00 H new ATOM 0 HA TRP A 11 -22.458 8.224 -2.321 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -25.329 8.358 -1.242 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -24.247 6.985 -1.122 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -24.710 10.552 0.220 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -23.371 10.848 2.409 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -22.234 6.085 0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -21.474 9.310 3.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -20.666 5.536 2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -20.286 7.139 3.929 1.00 0.00 H new ATOM 176 N ASN A 12 -23.928 8.971 -4.697 1.00 0.00 N ATOM 177 CA ASN A 12 -24.494 8.673 -6.046 1.00 0.00 C ATOM 178 C ASN A 12 -23.560 9.268 -7.105 1.00 0.00 C ATOM 179 O ASN A 12 -23.805 10.334 -7.641 1.00 0.00 O ATOM 180 CB ASN A 12 -25.876 9.348 -6.069 1.00 0.00 C ATOM 181 CG ASN A 12 -25.840 10.694 -5.324 1.00 0.00 C ATOM 182 OD1 ASN A 12 -25.908 11.740 -5.938 1.00 0.00 O ATOM 183 ND2 ASN A 12 -25.735 10.710 -4.017 1.00 0.00 N ATOM 0 H ASN A 12 -23.411 9.849 -4.642 1.00 0.00 H new ATOM 0 HA ASN A 12 -24.588 7.607 -6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -26.191 9.507 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -26.614 8.692 -5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -25.711 11.599 -3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -25.678 9.833 -3.499 1.00 0.00 H new ATOM 190 N HIS A 13 -22.470 8.602 -7.369 1.00 0.00 N ATOM 191 CA HIS A 13 -21.473 9.134 -8.348 1.00 0.00 C ATOM 192 C HIS A 13 -21.420 8.295 -9.634 1.00 0.00 C ATOM 193 O HIS A 13 -21.446 7.085 -9.584 1.00 0.00 O ATOM 194 CB HIS A 13 -20.137 9.017 -7.609 1.00 0.00 C ATOM 195 CG HIS A 13 -19.943 10.183 -6.669 1.00 0.00 C ATOM 196 ND1 HIS A 13 -18.700 10.506 -6.148 1.00 0.00 N ATOM 197 CD2 HIS A 13 -20.815 11.111 -6.152 1.00 0.00 C ATOM 198 CE1 HIS A 13 -18.853 11.584 -5.361 1.00 0.00 C ATOM 199 NE2 HIS A 13 -20.124 11.995 -5.327 1.00 0.00 N ATOM 0 H HIS A 13 -22.223 7.707 -6.947 1.00 0.00 H new ATOM 0 HA HIS A 13 -21.722 10.148 -8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -20.106 8.083 -7.049 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -19.319 8.984 -8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -21.875 11.149 -6.355 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -18.047 12.060 -4.822 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -20.506 12.786 -4.808 1.00 0.00 H new ATOM 207 N PRO A 14 -21.298 8.976 -10.750 1.00 0.00 N ATOM 208 CA PRO A 14 -21.176 8.284 -12.059 1.00 0.00 C ATOM 209 C PRO A 14 -19.763 7.701 -12.210 1.00 0.00 C ATOM 210 O PRO A 14 -19.510 6.870 -13.058 1.00 0.00 O ATOM 211 CB PRO A 14 -21.377 9.401 -13.077 1.00 0.00 C ATOM 212 CG PRO A 14 -20.975 10.648 -12.356 1.00 0.00 C ATOM 213 CD PRO A 14 -21.271 10.435 -10.893 1.00 0.00 C ATOM 0 HA PRO A 14 -21.884 7.463 -12.174 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.765 9.242 -13.965 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -22.414 9.452 -13.409 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.916 10.855 -12.508 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -21.526 11.507 -12.738 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -20.506 10.885 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -22.223 10.882 -10.608 1.00 0.00 H new ATOM 221 N GLY A 15 -18.835 8.170 -11.412 1.00 0.00 N ATOM 222 CA GLY A 15 -17.430 7.688 -11.519 1.00 0.00 C ATOM 223 C GLY A 15 -16.780 8.366 -12.728 1.00 0.00 C ATOM 224 O GLY A 15 -15.844 7.857 -13.311 1.00 0.00 O ATOM 0 H GLY A 15 -18.995 8.870 -10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.878 7.923 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.408 6.604 -11.634 1.00 0.00 H new ATOM 228 N SER A 16 -17.287 9.514 -13.110 1.00 0.00 N ATOM 229 CA SER A 16 -16.734 10.242 -14.287 1.00 0.00 C ATOM 230 C SER A 16 -16.916 11.763 -14.128 1.00 0.00 C ATOM 231 O SER A 16 -16.768 12.508 -15.079 1.00 0.00 O ATOM 232 CB SER A 16 -17.563 9.724 -15.464 1.00 0.00 C ATOM 233 OG SER A 16 -17.031 10.221 -16.683 1.00 0.00 O ATOM 0 H SER A 16 -18.069 9.979 -12.649 1.00 0.00 H new ATOM 0 HA SER A 16 -15.664 10.075 -14.415 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.558 8.634 -15.472 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.601 10.037 -15.355 1.00 0.00 H new ATOM 0 HG SER A 16 -16.733 11.146 -16.557 1.00 0.00 H new ATOM 239 N GLN A 17 -17.238 12.231 -12.940 1.00 0.00 N ATOM 240 CA GLN A 17 -17.421 13.698 -12.733 1.00 0.00 C ATOM 241 C GLN A 17 -17.066 14.091 -11.286 1.00 0.00 C ATOM 242 O GLN A 17 -16.094 14.788 -11.064 1.00 0.00 O ATOM 243 CB GLN A 17 -18.895 13.970 -13.051 1.00 0.00 C ATOM 244 CG GLN A 17 -19.020 14.599 -14.441 1.00 0.00 C ATOM 245 CD GLN A 17 -20.209 13.976 -15.180 1.00 0.00 C ATOM 246 OE1 GLN A 17 -21.128 14.670 -15.568 1.00 0.00 O ATOM 247 NE2 GLN A 17 -20.233 12.686 -15.394 1.00 0.00 N ATOM 0 H GLN A 17 -17.381 11.656 -12.109 1.00 0.00 H new ATOM 0 HA GLN A 17 -16.765 14.290 -13.371 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -19.462 13.040 -13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -19.321 14.636 -12.301 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -19.157 15.677 -14.353 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -18.102 14.440 -15.007 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -19.463 12.101 -15.070 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -21.022 12.265 -15.885 1.00 0.00 H new ATOM 256 N PRO A 18 -17.872 13.636 -10.338 1.00 0.00 N ATOM 257 CA PRO A 18 -17.624 13.959 -8.909 1.00 0.00 C ATOM 258 C PRO A 18 -16.425 13.164 -8.381 1.00 0.00 C ATOM 259 O PRO A 18 -15.546 13.714 -7.745 1.00 0.00 O ATOM 260 CB PRO A 18 -18.907 13.531 -8.207 1.00 0.00 C ATOM 261 CG PRO A 18 -19.487 12.477 -9.093 1.00 0.00 C ATOM 262 CD PRO A 18 -19.065 12.790 -10.506 1.00 0.00 C ATOM 0 HA PRO A 18 -17.390 15.011 -8.747 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.702 13.142 -7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -19.593 14.370 -8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.133 11.490 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -20.574 12.463 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -18.836 11.883 -11.065 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.851 13.311 -11.052 1.00 0.00 H new ATOM 270 N LYS A 19 -16.378 11.877 -8.651 1.00 0.00 N ATOM 271 CA LYS A 19 -15.227 11.048 -8.178 1.00 0.00 C ATOM 272 C LYS A 19 -13.923 11.644 -8.705 1.00 0.00 C ATOM 273 O LYS A 19 -12.956 11.788 -7.980 1.00 0.00 O ATOM 274 CB LYS A 19 -15.448 9.655 -8.774 1.00 0.00 C ATOM 275 CG LYS A 19 -16.504 8.908 -7.962 1.00 0.00 C ATOM 276 CD LYS A 19 -16.514 7.430 -8.359 1.00 0.00 C ATOM 277 CE LYS A 19 -15.952 6.582 -7.213 1.00 0.00 C ATOM 278 NZ LYS A 19 -15.991 5.183 -7.733 1.00 0.00 N ATOM 0 H LYS A 19 -17.088 11.369 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.164 11.012 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.767 9.740 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.512 9.096 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.294 9.006 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.487 9.347 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.530 7.114 -8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.918 7.282 -9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.936 6.883 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.552 6.687 -6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.670 4.528 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.964 4.943 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.366 5.103 -8.560 1.00 0.00 H new ATOM 292 N THR A 20 -13.902 12.003 -9.966 1.00 0.00 N ATOM 293 CA THR A 20 -12.671 12.603 -10.559 1.00 0.00 C ATOM 294 C THR A 20 -12.916 13.099 -11.984 1.00 0.00 C ATOM 295 O THR A 20 -12.323 14.073 -12.402 1.00 0.00 O ATOM 296 CB THR A 20 -11.607 11.489 -10.567 1.00 0.00 C ATOM 297 OG1 THR A 20 -10.612 11.798 -11.537 1.00 0.00 O ATOM 298 CG2 THR A 20 -12.246 10.132 -10.905 1.00 0.00 C ATOM 0 H THR A 20 -14.687 11.905 -10.609 1.00 0.00 H new ATOM 0 HA THR A 20 -12.353 13.467 -9.976 1.00 0.00 H new ATOM 0 HB THR A 20 -11.157 11.425 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.553 11.069 -12.189 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.478 9.358 -10.906 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.004 9.891 -10.159 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.710 10.184 -11.890 1.00 0.00 H new ATOM 306 N ALA A 21 -13.751 12.434 -12.750 1.00 0.00 N ATOM 307 CA ALA A 21 -13.973 12.878 -14.162 1.00 0.00 C ATOM 308 C ALA A 21 -12.621 12.940 -14.894 1.00 0.00 C ATOM 309 O ALA A 21 -12.441 13.733 -15.799 1.00 0.00 O ATOM 310 CB ALA A 21 -14.596 14.276 -14.061 1.00 0.00 C ATOM 0 H ALA A 21 -14.282 11.612 -12.461 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.618 12.197 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.786 14.663 -15.062 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.535 14.217 -13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.911 14.943 -13.538 1.00 0.00 H new ATOM 316 N SER A 22 -11.669 12.119 -14.473 1.00 0.00 N ATOM 317 CA SER A 22 -10.293 12.100 -15.091 1.00 0.00 C ATOM 318 C SER A 22 -9.455 13.313 -14.637 1.00 0.00 C ATOM 319 O SER A 22 -8.275 13.391 -14.923 1.00 0.00 O ATOM 320 CB SER A 22 -10.492 12.137 -16.608 1.00 0.00 C ATOM 321 OG SER A 22 -11.469 11.179 -16.996 1.00 0.00 O ATOM 0 H SER A 22 -11.794 11.451 -13.713 1.00 0.00 H new ATOM 0 HA SER A 22 -9.752 11.207 -14.779 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.806 13.134 -16.917 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.548 11.930 -17.112 1.00 0.00 H new ATOM 0 HG SER A 22 -11.591 11.211 -17.968 1.00 0.00 H new ATOM 327 N ASN A 23 -10.050 14.260 -13.945 1.00 0.00 N ATOM 328 CA ASN A 23 -9.281 15.462 -13.490 1.00 0.00 C ATOM 329 C ASN A 23 -8.440 15.163 -12.233 1.00 0.00 C ATOM 330 O ASN A 23 -7.472 15.846 -11.961 1.00 0.00 O ATOM 331 CB ASN A 23 -10.357 16.529 -13.214 1.00 0.00 C ATOM 332 CG ASN A 23 -10.493 16.807 -11.713 1.00 0.00 C ATOM 333 OD1 ASN A 23 -9.972 17.782 -11.210 1.00 0.00 O ATOM 334 ND2 ASN A 23 -11.179 15.979 -10.978 1.00 0.00 N ATOM 0 H ASN A 23 -11.034 14.251 -13.677 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.559 15.791 -14.238 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.100 17.451 -13.735 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.315 16.194 -13.612 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.280 16.149 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.615 15.161 -11.403 1.00 0.00 H new ATOM 341 N ARG A 24 -8.806 14.167 -11.458 1.00 0.00 N ATOM 342 CA ARG A 24 -8.030 13.861 -10.218 1.00 0.00 C ATOM 343 C ARG A 24 -7.775 12.351 -10.084 1.00 0.00 C ATOM 344 O ARG A 24 -6.790 11.844 -10.585 1.00 0.00 O ATOM 345 CB ARG A 24 -8.908 14.369 -9.072 1.00 0.00 C ATOM 346 CG ARG A 24 -8.480 15.780 -8.672 1.00 0.00 C ATOM 347 CD ARG A 24 -9.615 16.436 -7.884 1.00 0.00 C ATOM 348 NE ARG A 24 -9.372 16.022 -6.471 1.00 0.00 N ATOM 349 CZ ARG A 24 -8.624 16.760 -5.692 1.00 0.00 C ATOM 350 NH1 ARG A 24 -9.137 17.795 -5.079 1.00 0.00 N ATOM 351 NH2 ARG A 24 -7.361 16.460 -5.526 1.00 0.00 N ATOM 0 H ARG A 24 -9.605 13.557 -11.632 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.048 14.333 -10.225 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.954 14.370 -9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.827 13.699 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.574 15.742 -8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.247 16.369 -9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.597 17.521 -7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.590 16.098 -8.235 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.789 15.163 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.122 18.028 -5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.552 18.370 -4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.962 15.652 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.776 17.034 -4.919 1.00 0.00 H new ATOM 365 N ALA A 25 -8.655 11.637 -9.401 1.00 0.00 N ATOM 366 CA ALA A 25 -8.491 10.157 -9.212 1.00 0.00 C ATOM 367 C ALA A 25 -7.374 9.838 -8.204 1.00 0.00 C ATOM 368 O ALA A 25 -6.480 9.059 -8.480 1.00 0.00 O ATOM 369 CB ALA A 25 -8.145 9.605 -10.596 1.00 0.00 C ATOM 0 H ALA A 25 -9.489 12.028 -8.963 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.398 9.708 -8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.010 8.525 -10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.954 9.830 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.223 10.066 -10.951 1.00 0.00 H new ATOM 375 N HIS A 26 -7.431 10.415 -7.026 1.00 0.00 N ATOM 376 CA HIS A 26 -6.384 10.123 -5.991 1.00 0.00 C ATOM 377 C HIS A 26 -6.840 10.590 -4.600 1.00 0.00 C ATOM 378 O HIS A 26 -6.854 9.815 -3.670 1.00 0.00 O ATOM 379 CB HIS A 26 -5.076 10.834 -6.417 1.00 0.00 C ATOM 380 CG HIS A 26 -5.305 12.058 -7.277 1.00 0.00 C ATOM 381 ND1 HIS A 26 -4.314 12.559 -8.111 1.00 0.00 N ATOM 382 CD2 HIS A 26 -6.375 12.902 -7.430 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.807 13.655 -8.715 1.00 0.00 C ATOM 384 NE2 HIS A 26 -6.054 13.909 -8.329 1.00 0.00 N ATOM 0 H HIS A 26 -8.154 11.073 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 26 -6.216 9.048 -5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.523 11.126 -5.524 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.450 10.128 -6.963 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -3.381 12.167 -8.242 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.325 12.798 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.258 14.255 -9.426 1.00 0.00 H new ATOM 392 N ALA A 27 -7.217 11.838 -4.447 1.00 0.00 N ATOM 393 CA ALA A 27 -7.676 12.330 -3.107 1.00 0.00 C ATOM 394 C ALA A 27 -9.095 11.822 -2.799 1.00 0.00 C ATOM 395 O ALA A 27 -9.510 11.779 -1.655 1.00 0.00 O ATOM 396 CB ALA A 27 -7.665 13.857 -3.215 1.00 0.00 C ATOM 0 H ALA A 27 -7.227 12.536 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.034 11.973 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.990 14.291 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.655 14.198 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.342 14.170 -4.010 1.00 0.00 H new ATOM 402 N LYS A 28 -9.837 11.435 -3.811 1.00 0.00 N ATOM 403 CA LYS A 28 -11.231 10.924 -3.592 1.00 0.00 C ATOM 404 C LYS A 28 -11.200 9.594 -2.821 1.00 0.00 C ATOM 405 O LYS A 28 -12.047 9.331 -1.989 1.00 0.00 O ATOM 406 CB LYS A 28 -11.787 10.732 -5.006 1.00 0.00 C ATOM 407 CG LYS A 28 -13.016 9.813 -4.988 1.00 0.00 C ATOM 408 CD LYS A 28 -13.067 9.006 -6.289 1.00 0.00 C ATOM 409 CE LYS A 28 -11.945 7.962 -6.294 1.00 0.00 C ATOM 410 NZ LYS A 28 -11.586 7.808 -7.734 1.00 0.00 N ATOM 0 H LYS A 28 -9.535 11.451 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.843 11.603 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.057 11.699 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.018 10.305 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.968 9.140 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.925 10.405 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.035 8.514 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.961 9.672 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.090 8.295 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.279 7.017 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.822 7.109 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.419 7.485 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.267 8.723 -8.112 1.00 0.00 H new ATOM 424 N LYS A 29 -10.225 8.761 -3.091 1.00 0.00 N ATOM 425 CA LYS A 29 -10.119 7.451 -2.378 1.00 0.00 C ATOM 426 C LYS A 29 -8.674 7.234 -1.891 1.00 0.00 C ATOM 427 O LYS A 29 -8.235 6.117 -1.698 1.00 0.00 O ATOM 428 CB LYS A 29 -10.541 6.398 -3.422 1.00 0.00 C ATOM 429 CG LYS A 29 -9.337 5.897 -4.239 1.00 0.00 C ATOM 430 CD LYS A 29 -8.673 7.064 -4.979 1.00 0.00 C ATOM 431 CE LYS A 29 -7.753 6.523 -6.079 1.00 0.00 C ATOM 432 NZ LYS A 29 -6.454 6.264 -5.388 1.00 0.00 N ATOM 0 H LYS A 29 -9.493 8.934 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.748 7.396 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.016 5.556 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.284 6.828 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.614 5.418 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.663 5.142 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.434 7.711 -5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.100 7.672 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.156 5.612 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.635 7.244 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.741 5.971 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.135 7.132 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.580 5.509 -4.684 1.00 0.00 H new ATOM 446 N SER A 30 -7.942 8.311 -1.708 1.00 0.00 N ATOM 447 CA SER A 30 -6.515 8.229 -1.255 1.00 0.00 C ATOM 448 C SER A 30 -6.309 7.143 -0.185 1.00 0.00 C ATOM 449 O SER A 30 -5.758 6.094 -0.465 1.00 0.00 O ATOM 450 CB SER A 30 -6.206 9.627 -0.703 1.00 0.00 C ATOM 451 OG SER A 30 -7.101 9.943 0.358 1.00 0.00 O ATOM 0 H SER A 30 -8.282 9.261 -1.857 1.00 0.00 H new ATOM 0 HA SER A 30 -5.848 7.948 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.177 9.666 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.295 10.368 -1.497 1.00 0.00 H new ATOM 0 HG SER A 30 -6.895 10.836 0.705 1.00 0.00 H new ATOM 457 N ALA A 31 -6.739 7.379 1.032 1.00 0.00 N ATOM 458 CA ALA A 31 -6.558 6.352 2.105 1.00 0.00 C ATOM 459 C ALA A 31 -7.351 6.745 3.357 1.00 0.00 C ATOM 460 O ALA A 31 -6.786 7.020 4.401 1.00 0.00 O ATOM 461 CB ALA A 31 -5.054 6.339 2.398 1.00 0.00 C ATOM 0 H ALA A 31 -7.206 8.236 1.327 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.919 5.370 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.842 5.608 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.509 6.073 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.740 7.328 2.733 1.00 0.00 H new ATOM 467 N TYR A 32 -8.657 6.770 3.264 1.00 0.00 N ATOM 468 CA TYR A 32 -9.486 7.139 4.447 1.00 0.00 C ATOM 469 C TYR A 32 -10.876 6.500 4.313 1.00 0.00 C ATOM 470 O TYR A 32 -11.894 7.117 4.572 1.00 0.00 O ATOM 471 CB TYR A 32 -9.524 8.685 4.446 1.00 0.00 C ATOM 472 CG TYR A 32 -10.333 9.248 3.293 1.00 0.00 C ATOM 473 CD1 TYR A 32 -10.046 8.905 1.958 1.00 0.00 C ATOM 474 CD2 TYR A 32 -11.375 10.135 3.573 1.00 0.00 C ATOM 475 CE1 TYR A 32 -10.806 9.453 0.919 1.00 0.00 C ATOM 476 CE2 TYR A 32 -12.133 10.680 2.531 1.00 0.00 C ATOM 477 CZ TYR A 32 -11.849 10.339 1.206 1.00 0.00 C ATOM 478 OH TYR A 32 -12.600 10.878 0.181 1.00 0.00 O ATOM 0 H TYR A 32 -9.183 6.550 2.418 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.085 6.778 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.948 9.035 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.506 9.070 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.241 8.220 1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.596 10.401 4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.587 9.191 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.938 11.365 2.751 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.568 10.282 -0.597 1.00 0.00 H new ATOM 488 N HIS A 33 -10.900 5.243 3.899 1.00 0.00 N ATOM 489 CA HIS A 33 -12.185 4.486 3.715 1.00 0.00 C ATOM 490 C HIS A 33 -13.120 5.201 2.723 1.00 0.00 C ATOM 491 O HIS A 33 -14.289 4.876 2.631 1.00 0.00 O ATOM 492 CB HIS A 33 -12.821 4.402 5.106 1.00 0.00 C ATOM 493 CG HIS A 33 -12.008 3.490 5.985 1.00 0.00 C ATOM 494 ND1 HIS A 33 -12.467 2.245 6.385 1.00 0.00 N ATOM 495 CD2 HIS A 33 -10.763 3.628 6.550 1.00 0.00 C ATOM 496 CE1 HIS A 33 -11.514 1.689 7.156 1.00 0.00 C ATOM 497 NE2 HIS A 33 -10.455 2.491 7.289 1.00 0.00 N ATOM 0 H HIS A 33 -10.063 4.704 3.678 1.00 0.00 H new ATOM 0 HA HIS A 33 -12.003 3.496 3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -12.877 5.396 5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -13.843 4.030 5.027 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.121 4.489 6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.596 0.713 7.611 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.603 2.309 7.819 1.00 0.00 H new ATOM 505 N SER A 34 -12.605 6.156 1.975 1.00 0.00 N ATOM 506 CA SER A 34 -13.428 6.903 0.970 1.00 0.00 C ATOM 507 C SER A 34 -14.780 7.357 1.557 1.00 0.00 C ATOM 508 O SER A 34 -15.780 6.675 1.434 1.00 0.00 O ATOM 509 CB SER A 34 -13.641 5.919 -0.181 1.00 0.00 C ATOM 510 OG SER A 34 -12.535 5.981 -1.068 1.00 0.00 O ATOM 0 H SER A 34 -11.630 6.452 2.023 1.00 0.00 H new ATOM 0 HA SER A 34 -12.926 7.815 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.753 4.907 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.561 6.159 -0.713 1.00 0.00 H new ATOM 0 HG SER A 34 -12.845 6.243 -1.960 1.00 0.00 H new ATOM 516 N GLN A 35 -14.817 8.506 2.187 1.00 0.00 N ATOM 517 CA GLN A 35 -16.105 9.007 2.775 1.00 0.00 C ATOM 518 C GLN A 35 -16.808 9.971 1.810 1.00 0.00 C ATOM 519 O GLN A 35 -18.023 10.057 1.792 1.00 0.00 O ATOM 520 CB GLN A 35 -15.708 9.740 4.062 1.00 0.00 C ATOM 521 CG GLN A 35 -15.063 8.764 5.052 1.00 0.00 C ATOM 522 CD GLN A 35 -15.886 7.477 5.147 1.00 0.00 C ATOM 523 OE1 GLN A 35 -17.063 7.511 5.437 1.00 0.00 O ATOM 524 NE2 GLN A 35 -15.307 6.334 4.911 1.00 0.00 N ATOM 0 H GLN A 35 -14.014 9.120 2.321 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.801 8.190 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.012 10.546 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.588 10.199 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.047 8.531 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.989 9.229 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.317 6.305 4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.844 5.469 4.970 1.00 0.00 H new ATOM 533 N VAL A 36 -16.054 10.693 1.010 1.00 0.00 N ATOM 534 CA VAL A 36 -16.656 11.658 0.032 1.00 0.00 C ATOM 535 C VAL A 36 -17.439 12.764 0.758 1.00 0.00 C ATOM 536 O VAL A 36 -18.624 12.932 0.548 1.00 0.00 O ATOM 537 CB VAL A 36 -17.589 10.821 -0.863 1.00 0.00 C ATOM 538 CG1 VAL A 36 -17.843 11.595 -2.160 1.00 0.00 C ATOM 539 CG2 VAL A 36 -17.134 9.411 -1.255 1.00 0.00 C ATOM 0 H VAL A 36 -15.035 10.653 0.994 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.887 12.162 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.470 10.667 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.503 11.016 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.311 12.551 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.896 11.769 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.893 8.946 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.194 9.471 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.991 8.812 -0.356 1.00 0.00 H new ATOM 549 N ALA A 37 -16.771 13.526 1.599 1.00 0.00 N ATOM 550 CA ALA A 37 -17.448 14.643 2.344 1.00 0.00 C ATOM 551 C ALA A 37 -18.830 14.206 2.857 1.00 0.00 C ATOM 552 O ALA A 37 -19.854 14.689 2.406 1.00 0.00 O ATOM 553 CB ALA A 37 -17.581 15.777 1.323 1.00 0.00 C ATOM 0 H ALA A 37 -15.777 13.420 1.803 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.880 14.947 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.068 16.633 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.591 16.069 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.179 15.437 0.478 1.00 0.00 H new ATOM 559 N PHE A 38 -18.863 13.286 3.787 1.00 0.00 N ATOM 560 CA PHE A 38 -20.177 12.803 4.320 1.00 0.00 C ATOM 561 C PHE A 38 -20.631 13.620 5.556 1.00 0.00 C ATOM 562 O PHE A 38 -20.599 14.835 5.533 1.00 0.00 O ATOM 563 CB PHE A 38 -19.971 11.300 4.617 1.00 0.00 C ATOM 564 CG PHE A 38 -19.021 11.019 5.771 1.00 0.00 C ATOM 565 CD1 PHE A 38 -18.182 12.015 6.294 1.00 0.00 C ATOM 566 CD2 PHE A 38 -18.986 9.729 6.312 1.00 0.00 C ATOM 567 CE1 PHE A 38 -17.317 11.714 7.349 1.00 0.00 C ATOM 568 CE2 PHE A 38 -18.120 9.432 7.366 1.00 0.00 C ATOM 569 CZ PHE A 38 -17.287 10.424 7.882 1.00 0.00 C ATOM 0 H PHE A 38 -18.040 12.848 4.201 1.00 0.00 H new ATOM 0 HA PHE A 38 -20.987 12.941 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -20.938 10.849 4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -19.590 10.812 3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.205 13.013 5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -19.631 8.960 5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.671 12.480 7.753 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.095 8.435 7.781 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.616 10.194 8.697 1.00 0.00 H new ATOM 579 N ILE A 39 -21.100 12.979 6.609 1.00 0.00 N ATOM 580 CA ILE A 39 -21.605 13.747 7.808 1.00 0.00 C ATOM 581 C ILE A 39 -20.514 14.609 8.471 1.00 0.00 C ATOM 582 O ILE A 39 -20.784 15.716 8.901 1.00 0.00 O ATOM 583 CB ILE A 39 -22.135 12.693 8.800 1.00 0.00 C ATOM 584 CG1 ILE A 39 -21.116 11.562 8.995 1.00 0.00 C ATOM 585 CG2 ILE A 39 -23.447 12.105 8.272 1.00 0.00 C ATOM 586 CD1 ILE A 39 -21.263 10.981 10.402 1.00 0.00 C ATOM 0 H ILE A 39 -21.156 11.964 6.692 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.379 14.448 7.497 1.00 0.00 H new ATOM 0 HB ILE A 39 -22.304 13.180 9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.275 10.783 8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.104 11.941 8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -23.821 11.360 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.184 12.901 8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -23.272 11.635 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.540 10.178 10.541 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -21.083 11.763 11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -22.271 10.587 10.530 1.00 0.00 H new ATOM 598 N THR A 40 -19.303 14.125 8.573 1.00 0.00 N ATOM 599 CA THR A 40 -18.222 14.935 9.225 1.00 0.00 C ATOM 600 C THR A 40 -17.223 15.438 8.176 1.00 0.00 C ATOM 601 O THR A 40 -16.906 14.749 7.224 1.00 0.00 O ATOM 602 CB THR A 40 -17.556 13.969 10.219 1.00 0.00 C ATOM 603 OG1 THR A 40 -18.543 13.493 11.130 1.00 0.00 O ATOM 604 CG2 THR A 40 -16.439 14.681 10.994 1.00 0.00 C ATOM 0 H THR A 40 -19.013 13.207 8.235 1.00 0.00 H new ATOM 0 HA THR A 40 -18.607 15.824 9.725 1.00 0.00 H new ATOM 0 HB THR A 40 -17.118 13.135 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.174 12.753 11.655 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.979 13.983 11.693 1.00 0.00 H new ATOM 0 HG22 THR A 40 -15.686 15.044 10.295 1.00 0.00 H new ATOM 0 HG23 THR A 40 -16.858 15.523 11.545 1.00 0.00 H new ATOM 612 N LYS A 41 -16.731 16.644 8.342 1.00 0.00 N ATOM 613 CA LYS A 41 -15.754 17.206 7.356 1.00 0.00 C ATOM 614 C LYS A 41 -14.399 16.480 7.447 1.00 0.00 C ATOM 615 O LYS A 41 -13.617 16.506 6.516 1.00 0.00 O ATOM 616 CB LYS A 41 -15.610 18.691 7.723 1.00 0.00 C ATOM 617 CG LYS A 41 -14.909 18.843 9.081 1.00 0.00 C ATOM 618 CD LYS A 41 -13.650 19.705 8.925 1.00 0.00 C ATOM 619 CE LYS A 41 -12.683 19.045 7.933 1.00 0.00 C ATOM 620 NZ LYS A 41 -11.848 18.133 8.769 1.00 0.00 N ATOM 0 H LYS A 41 -16.965 17.263 9.118 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.099 17.077 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.039 19.209 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.593 19.160 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.587 19.301 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.642 17.862 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.922 20.700 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.163 19.831 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.221 18.494 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.070 19.788 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.291 17.509 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.206 18.696 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.465 17.557 9.377 1.00 0.00 H new ATOM 634 N GLY A 42 -14.122 15.825 8.555 1.00 0.00 N ATOM 635 CA GLY A 42 -12.824 15.093 8.704 1.00 0.00 C ATOM 636 C GLY A 42 -12.748 13.893 7.745 1.00 0.00 C ATOM 637 O GLY A 42 -11.764 13.192 7.716 1.00 0.00 O ATOM 0 H GLY A 42 -14.743 15.768 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.995 15.773 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.714 14.748 9.732 1.00 0.00 H new ATOM 641 N LEU A 43 -13.770 13.660 6.955 1.00 0.00 N ATOM 642 CA LEU A 43 -13.755 12.515 5.987 1.00 0.00 C ATOM 643 C LEU A 43 -13.643 11.166 6.713 1.00 0.00 C ATOM 644 O LEU A 43 -12.974 10.260 6.252 1.00 0.00 O ATOM 645 CB LEU A 43 -12.532 12.742 5.095 1.00 0.00 C ATOM 646 CG LEU A 43 -12.591 14.126 4.446 1.00 0.00 C ATOM 647 CD1 LEU A 43 -11.297 14.171 3.631 1.00 0.00 C ATOM 648 CD2 LEU A 43 -13.882 14.272 3.636 1.00 0.00 C ATOM 0 H LEU A 43 -14.623 14.220 6.939 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.680 12.479 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.621 12.650 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.490 11.974 4.323 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.635 14.969 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.226 15.128 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.443 14.055 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.299 13.363 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.914 15.261 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.911 13.510 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.741 14.149 4.295 1.00 0.00 H new ATOM 660 N GLY A 44 -14.298 11.023 7.838 1.00 0.00 N ATOM 661 CA GLY A 44 -14.240 9.727 8.592 1.00 0.00 C ATOM 662 C GLY A 44 -12.793 9.350 8.930 1.00 0.00 C ATOM 663 O GLY A 44 -12.497 8.200 9.190 1.00 0.00 O ATOM 0 H GLY A 44 -14.872 11.747 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.821 9.810 9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.696 8.936 7.997 1.00 0.00 H new ATOM 667 N ILE A 45 -11.891 10.300 8.926 1.00 0.00 N ATOM 668 CA ILE A 45 -10.461 9.981 9.241 1.00 0.00 C ATOM 669 C ILE A 45 -10.339 9.268 10.598 1.00 0.00 C ATOM 670 O ILE A 45 -9.716 8.227 10.689 1.00 0.00 O ATOM 671 CB ILE A 45 -9.706 11.321 9.257 1.00 0.00 C ATOM 672 CG1 ILE A 45 -10.504 12.394 10.021 1.00 0.00 C ATOM 673 CG2 ILE A 45 -9.458 11.781 7.818 1.00 0.00 C ATOM 674 CD1 ILE A 45 -9.843 12.670 11.373 1.00 0.00 C ATOM 0 H ILE A 45 -12.081 11.281 8.719 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.042 9.304 8.496 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.754 11.179 9.768 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.550 13.312 9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.531 12.059 10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.923 12.731 7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.862 11.033 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.412 11.907 7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.413 13.430 11.908 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.820 11.752 11.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.825 13.025 11.214 1.00 0.00 H new ATOM 686 N SER A 46 -10.921 9.807 11.649 1.00 0.00 N ATOM 687 CA SER A 46 -10.816 9.129 12.984 1.00 0.00 C ATOM 688 C SER A 46 -11.726 9.765 14.056 1.00 0.00 C ATOM 689 O SER A 46 -11.530 9.532 15.235 1.00 0.00 O ATOM 690 CB SER A 46 -9.344 9.278 13.392 1.00 0.00 C ATOM 691 OG SER A 46 -9.036 10.650 13.595 1.00 0.00 O ATOM 0 H SER A 46 -11.457 10.675 11.640 1.00 0.00 H new ATOM 0 HA SER A 46 -11.140 8.091 12.907 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.151 8.714 14.305 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.699 8.862 12.618 1.00 0.00 H new ATOM 0 HG SER A 46 -8.096 10.739 13.857 1.00 0.00 H new ATOM 697 N TYR A 47 -12.723 10.547 13.688 1.00 0.00 N ATOM 698 CA TYR A 47 -13.607 11.144 14.742 1.00 0.00 C ATOM 699 C TYR A 47 -14.602 10.091 15.264 1.00 0.00 C ATOM 700 O TYR A 47 -15.084 10.187 16.377 1.00 0.00 O ATOM 701 CB TYR A 47 -14.340 12.312 14.064 1.00 0.00 C ATOM 702 CG TYR A 47 -15.382 11.796 13.104 1.00 0.00 C ATOM 703 CD1 TYR A 47 -16.643 11.406 13.573 1.00 0.00 C ATOM 704 CD2 TYR A 47 -15.081 11.708 11.745 1.00 0.00 C ATOM 705 CE1 TYR A 47 -17.601 10.926 12.676 1.00 0.00 C ATOM 706 CE2 TYR A 47 -16.035 11.230 10.851 1.00 0.00 C ATOM 707 CZ TYR A 47 -17.299 10.837 11.315 1.00 0.00 C ATOM 708 OH TYR A 47 -18.246 10.363 10.436 1.00 0.00 O ATOM 0 H TYR A 47 -12.956 10.791 12.726 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.036 11.489 15.604 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.812 12.940 14.819 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -13.624 12.938 13.531 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -16.874 11.476 14.626 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -14.108 12.011 11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -18.574 10.624 13.035 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -15.802 11.162 9.799 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.096 10.755 9.551 1.00 0.00 H new ATOM 718 N GLY A 48 -14.911 9.091 14.467 1.00 0.00 N ATOM 719 CA GLY A 48 -15.871 8.037 14.910 1.00 0.00 C ATOM 720 C GLY A 48 -17.056 7.986 13.942 1.00 0.00 C ATOM 721 O GLY A 48 -18.140 8.441 14.257 1.00 0.00 O ATOM 0 H GLY A 48 -14.536 8.964 13.527 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.373 7.068 14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.222 8.251 15.920 1.00 0.00 H new ATOM 725 N ARG A 49 -16.860 7.435 12.766 1.00 0.00 N ATOM 726 CA ARG A 49 -17.974 7.354 11.779 1.00 0.00 C ATOM 727 C ARG A 49 -18.935 6.221 12.147 1.00 0.00 C ATOM 728 O ARG A 49 -18.595 5.316 12.886 1.00 0.00 O ATOM 729 CB ARG A 49 -17.302 7.083 10.434 1.00 0.00 C ATOM 730 CG ARG A 49 -16.944 5.600 10.296 1.00 0.00 C ATOM 731 CD ARG A 49 -16.455 5.341 8.873 1.00 0.00 C ATOM 732 NE ARG A 49 -15.293 6.263 8.723 1.00 0.00 N ATOM 733 CZ ARG A 49 -14.098 5.788 8.482 1.00 0.00 C ATOM 734 NH1 ARG A 49 -13.613 4.821 9.220 1.00 0.00 N ATOM 735 NH2 ARG A 49 -13.385 6.283 7.506 1.00 0.00 N ATOM 0 H ARG A 49 -15.974 7.039 12.451 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.567 8.269 11.755 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.968 7.378 9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.401 7.690 10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.171 5.330 11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.813 4.980 10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.161 4.301 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.232 5.553 8.138 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.430 7.270 8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.167 4.436 9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.681 4.453 9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.760 7.039 6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.453 5.914 7.317 1.00 0.00 H new ATOM 749 N LYS A 50 -20.129 6.269 11.628 1.00 0.00 N ATOM 750 CA LYS A 50 -21.127 5.202 11.925 1.00 0.00 C ATOM 751 C LYS A 50 -21.523 4.457 10.641 1.00 0.00 C ATOM 752 O LYS A 50 -22.046 3.362 10.698 1.00 0.00 O ATOM 753 CB LYS A 50 -22.334 5.932 12.534 1.00 0.00 C ATOM 754 CG LYS A 50 -22.861 7.003 11.566 1.00 0.00 C ATOM 755 CD LYS A 50 -22.405 8.395 12.017 1.00 0.00 C ATOM 756 CE LYS A 50 -22.875 8.667 13.449 1.00 0.00 C ATOM 757 NZ LYS A 50 -22.928 10.155 13.545 1.00 0.00 N ATOM 0 H LYS A 50 -20.460 7.007 11.006 1.00 0.00 H new ATOM 0 HA LYS A 50 -20.728 4.450 12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -23.124 5.216 12.758 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -22.047 6.396 13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -22.498 6.802 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -23.950 6.964 11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.319 8.465 11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -22.807 9.153 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -23.852 8.221 13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.185 8.246 14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -23.242 10.430 14.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.982 10.548 13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.597 10.525 12.840 1.00 0.00 H new ATOM 771 N LYS A 51 -21.270 5.042 9.488 1.00 0.00 N ATOM 772 CA LYS A 51 -21.622 4.382 8.181 1.00 0.00 C ATOM 773 C LYS A 51 -23.128 4.066 8.077 1.00 0.00 C ATOM 774 O LYS A 51 -23.541 3.325 7.201 1.00 0.00 O ATOM 775 CB LYS A 51 -20.810 3.082 8.147 1.00 0.00 C ATOM 776 CG LYS A 51 -19.325 3.404 7.942 1.00 0.00 C ATOM 777 CD LYS A 51 -19.053 3.651 6.456 1.00 0.00 C ATOM 778 CE LYS A 51 -18.903 5.154 6.202 1.00 0.00 C ATOM 779 NZ LYS A 51 -18.749 5.264 4.722 1.00 0.00 N ATOM 0 H LYS A 51 -20.830 5.958 9.396 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.393 5.042 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.947 2.532 9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.167 2.440 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.050 4.284 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.711 2.579 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.147 3.128 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.870 3.250 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.775 5.706 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.037 5.561 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.281 6.163 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.172 4.472 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.686 5.234 4.272 1.00 0.00 H new ATOM 793 N ARG A 52 -23.953 4.608 8.946 1.00 0.00 N ATOM 794 CA ARG A 52 -25.421 4.312 8.869 1.00 0.00 C ATOM 795 C ARG A 52 -26.210 5.551 8.425 1.00 0.00 C ATOM 796 O ARG A 52 -27.372 5.453 8.074 1.00 0.00 O ATOM 797 CB ARG A 52 -25.853 3.905 10.285 1.00 0.00 C ATOM 798 CG ARG A 52 -24.928 2.831 10.888 1.00 0.00 C ATOM 799 CD ARG A 52 -24.461 1.802 9.838 1.00 0.00 C ATOM 800 NE ARG A 52 -25.686 1.385 9.094 1.00 0.00 N ATOM 801 CZ ARG A 52 -26.703 0.851 9.726 1.00 0.00 C ATOM 802 NH1 ARG A 52 -26.540 -0.247 10.419 1.00 0.00 N ATOM 803 NH2 ARG A 52 -27.881 1.416 9.660 1.00 0.00 N ATOM 0 H ARG A 52 -23.675 5.237 9.699 1.00 0.00 H new ATOM 0 HA ARG A 52 -25.616 3.525 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -25.855 4.784 10.929 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -26.875 3.528 10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -24.057 3.313 11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -25.452 2.314 11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -23.725 2.240 9.163 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -23.985 0.946 10.316 1.00 0.00 H new ATOM 0 HE ARG A 52 -25.732 1.517 8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -25.621 -0.688 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -27.332 -0.662 10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -28.007 2.271 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -28.673 1.002 10.151 1.00 0.00 H new ATOM 817 N ARG A 53 -25.598 6.715 8.436 1.00 0.00 N ATOM 818 CA ARG A 53 -26.324 7.954 8.011 1.00 0.00 C ATOM 819 C ARG A 53 -26.860 7.809 6.578 1.00 0.00 C ATOM 820 O ARG A 53 -27.792 8.487 6.191 1.00 0.00 O ATOM 821 CB ARG A 53 -25.286 9.086 8.091 1.00 0.00 C ATOM 822 CG ARG A 53 -24.247 8.948 6.967 1.00 0.00 C ATOM 823 CD ARG A 53 -24.405 10.104 5.969 1.00 0.00 C ATOM 824 NE ARG A 53 -25.067 9.484 4.781 1.00 0.00 N ATOM 825 CZ ARG A 53 -26.123 10.043 4.238 1.00 0.00 C ATOM 826 NH1 ARG A 53 -26.984 10.693 4.977 1.00 0.00 N ATOM 827 NH2 ARG A 53 -26.329 9.929 2.953 1.00 0.00 N ATOM 0 H ARG A 53 -24.629 6.858 8.721 1.00 0.00 H new ATOM 0 HA ARG A 53 -27.187 8.152 8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -25.786 10.051 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -24.787 9.061 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -23.241 8.952 7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -24.375 7.994 6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -25.011 10.909 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -23.439 10.536 5.705 1.00 0.00 H new ATOM 0 HE ARG A 53 -24.695 8.619 4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -26.838 10.769 5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -27.802 11.124 4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -25.670 9.407 2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -27.149 10.362 2.527 1.00 0.00 H new ATOM 841 N GLN A 54 -26.280 6.929 5.790 1.00 0.00 N ATOM 842 CA GLN A 54 -26.754 6.743 4.382 1.00 0.00 C ATOM 843 C GLN A 54 -28.218 6.296 4.365 1.00 0.00 C ATOM 844 O GLN A 54 -28.999 6.755 3.555 1.00 0.00 O ATOM 845 CB GLN A 54 -25.860 5.650 3.781 1.00 0.00 C ATOM 846 CG GLN A 54 -24.386 6.074 3.851 1.00 0.00 C ATOM 847 CD GLN A 54 -23.488 4.834 3.832 1.00 0.00 C ATOM 848 OE1 GLN A 54 -23.622 3.984 2.974 1.00 0.00 O ATOM 849 NE2 GLN A 54 -22.567 4.696 4.748 1.00 0.00 N ATOM 0 H GLN A 54 -25.499 6.333 6.064 1.00 0.00 H new ATOM 0 HA GLN A 54 -26.694 7.672 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -26.003 4.715 4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -26.144 5.466 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -24.144 6.722 3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -24.207 6.650 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -22.454 5.409 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.961 3.875 4.743 1.00 0.00 H new ATOM 858 N ARG A 55 -28.586 5.392 5.251 1.00 0.00 N ATOM 859 CA ARG A 55 -29.998 4.883 5.303 1.00 0.00 C ATOM 860 C ARG A 55 -30.360 4.121 4.012 1.00 0.00 C ATOM 861 O ARG A 55 -31.498 3.742 3.810 1.00 0.00 O ATOM 862 CB ARG A 55 -30.888 6.123 5.483 1.00 0.00 C ATOM 863 CG ARG A 55 -30.528 6.826 6.797 1.00 0.00 C ATOM 864 CD ARG A 55 -31.485 7.996 7.040 1.00 0.00 C ATOM 865 NE ARG A 55 -30.978 8.625 8.295 1.00 0.00 N ATOM 866 CZ ARG A 55 -31.370 8.175 9.460 1.00 0.00 C ATOM 867 NH1 ARG A 55 -32.501 8.588 9.972 1.00 0.00 N ATOM 868 NH2 ARG A 55 -30.628 7.316 10.112 1.00 0.00 N ATOM 0 H ARG A 55 -27.961 4.983 5.946 1.00 0.00 H new ATOM 0 HA ARG A 55 -30.135 4.176 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -30.752 6.806 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -31.938 5.832 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -30.585 6.120 7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -29.500 7.187 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -31.473 8.700 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -32.513 7.653 7.153 1.00 0.00 H new ATOM 0 HE ARG A 55 -30.325 9.407 8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -33.076 9.260 9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -32.808 8.238 10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -29.745 6.998 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -30.933 6.965 11.020 1.00 0.00 H new ATOM 882 N ARG A 56 -29.394 3.875 3.151 1.00 0.00 N ATOM 883 CA ARG A 56 -29.662 3.119 1.890 1.00 0.00 C ATOM 884 C ARG A 56 -28.587 2.042 1.721 1.00 0.00 C ATOM 885 O ARG A 56 -28.149 1.749 0.624 1.00 0.00 O ATOM 886 CB ARG A 56 -29.567 4.134 0.743 1.00 0.00 C ATOM 887 CG ARG A 56 -30.310 5.427 1.087 1.00 0.00 C ATOM 888 CD ARG A 56 -29.449 6.614 0.653 1.00 0.00 C ATOM 889 NE ARG A 56 -30.222 7.814 1.092 1.00 0.00 N ATOM 890 CZ ARG A 56 -31.299 8.174 0.443 1.00 0.00 C ATOM 891 NH1 ARG A 56 -31.198 8.728 -0.738 1.00 0.00 N ATOM 892 NH2 ARG A 56 -32.477 7.980 0.977 1.00 0.00 N ATOM 0 H ARG A 56 -28.425 4.170 3.274 1.00 0.00 H new ATOM 0 HA ARG A 56 -30.640 2.638 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -28.520 4.357 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -29.986 3.701 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -31.275 5.455 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -30.509 5.476 2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -28.465 6.583 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -29.290 6.616 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 56 -29.910 8.354 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -30.279 8.879 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -32.038 9.008 -1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -32.555 7.549 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -33.318 8.260 0.472 1.00 0.00 H new ATOM 906 N ARG A 57 -28.155 1.461 2.813 1.00 0.00 N ATOM 907 CA ARG A 57 -27.099 0.404 2.755 1.00 0.00 C ATOM 908 C ARG A 57 -27.495 -0.742 1.804 1.00 0.00 C ATOM 909 O ARG A 57 -26.663 -1.223 1.058 1.00 0.00 O ATOM 910 CB ARG A 57 -26.973 -0.107 4.194 1.00 0.00 C ATOM 911 CG ARG A 57 -25.709 -0.952 4.333 1.00 0.00 C ATOM 912 CD ARG A 57 -24.528 -0.038 4.661 1.00 0.00 C ATOM 913 NE ARG A 57 -23.345 -0.942 4.614 1.00 0.00 N ATOM 914 CZ ARG A 57 -23.141 -1.819 5.565 1.00 0.00 C ATOM 915 NH1 ARG A 57 -23.084 -1.429 6.814 1.00 0.00 N ATOM 916 NH2 ARG A 57 -22.995 -3.082 5.264 1.00 0.00 N ATOM 0 H ARG A 57 -28.493 1.676 3.751 1.00 0.00 H new ATOM 0 HA ARG A 57 -26.159 0.799 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -26.937 0.734 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -27.849 -0.700 4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -25.839 -1.695 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -25.517 -1.496 3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.439 0.773 3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -24.640 0.421 5.643 1.00 0.00 H new ATOM 0 HE ARG A 57 -22.689 -0.878 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -23.199 -0.442 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.925 -2.112 7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -23.040 -3.383 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -22.836 -3.767 6.003 1.00 0.00 H new ATOM 930 N PRO A 58 -28.748 -1.157 1.856 1.00 0.00 N ATOM 931 CA PRO A 58 -29.211 -2.259 0.987 1.00 0.00 C ATOM 932 C PRO A 58 -29.695 -1.742 -0.383 1.00 0.00 C ATOM 933 O PRO A 58 -30.263 -2.492 -1.155 1.00 0.00 O ATOM 934 CB PRO A 58 -30.367 -2.862 1.777 1.00 0.00 C ATOM 935 CG PRO A 58 -30.873 -1.757 2.664 1.00 0.00 C ATOM 936 CD PRO A 58 -29.832 -0.659 2.713 1.00 0.00 C ATOM 0 HA PRO A 58 -28.420 -2.974 0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -31.152 -3.220 1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -30.035 -3.717 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -31.816 -1.367 2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -31.069 -2.137 3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -30.231 0.286 2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -29.486 -0.482 3.731 1.00 0.00 H new ATOM 944 N SER A 59 -29.479 -0.482 -0.701 1.00 0.00 N ATOM 945 CA SER A 59 -29.938 0.035 -2.024 1.00 0.00 C ATOM 946 C SER A 59 -28.776 0.632 -2.815 1.00 0.00 C ATOM 947 O SER A 59 -27.870 1.223 -2.261 1.00 0.00 O ATOM 948 CB SER A 59 -30.965 1.121 -1.718 1.00 0.00 C ATOM 949 OG SER A 59 -32.121 0.539 -1.134 1.00 0.00 O ATOM 0 H SER A 59 -29.009 0.199 -0.105 1.00 0.00 H new ATOM 0 HA SER A 59 -30.358 -0.769 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 59 -30.536 1.859 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 59 -31.235 1.648 -2.633 1.00 0.00 H new ATOM 0 HG SER A 59 -32.777 1.240 -0.938 1.00 0.00 H new ATOM 955 N GLN A 60 -28.822 0.490 -4.114 1.00 0.00 N ATOM 956 CA GLN A 60 -27.759 1.043 -4.991 1.00 0.00 C ATOM 957 C GLN A 60 -28.377 1.387 -6.362 1.00 0.00 C ATOM 958 O GLN A 60 -29.231 2.248 -6.460 1.00 0.00 O ATOM 959 CB GLN A 60 -26.708 -0.076 -5.099 1.00 0.00 C ATOM 960 CG GLN A 60 -25.726 0.009 -3.927 1.00 0.00 C ATOM 961 CD GLN A 60 -25.414 -1.400 -3.411 1.00 0.00 C ATOM 962 OE1 GLN A 60 -25.107 -2.289 -4.181 1.00 0.00 O ATOM 963 NE2 GLN A 60 -25.476 -1.643 -2.129 1.00 0.00 N ATOM 0 H GLN A 60 -29.569 0.003 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.307 1.957 -4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.200 -1.049 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.169 0.011 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -24.807 0.502 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.152 0.614 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -25.733 -0.899 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -25.267 -2.577 -1.776 1.00 0.00 H new ATOM 972 N GLY A 61 -27.966 0.723 -7.416 1.00 0.00 N ATOM 973 CA GLY A 61 -28.531 1.015 -8.766 1.00 0.00 C ATOM 974 C GLY A 61 -27.762 2.189 -9.370 1.00 0.00 C ATOM 975 O GLY A 61 -28.307 3.257 -9.578 1.00 0.00 O ATOM 0 H GLY A 61 -27.259 -0.012 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -28.450 0.138 -9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -29.591 1.256 -8.689 1.00 0.00 H new ATOM 979 N GLY A 62 -26.490 2.004 -9.625 1.00 0.00 N ATOM 980 CA GLY A 62 -25.665 3.114 -10.184 1.00 0.00 C ATOM 981 C GLY A 62 -25.416 4.150 -9.080 1.00 0.00 C ATOM 982 O GLY A 62 -25.090 5.291 -9.351 1.00 0.00 O ATOM 0 H GLY A 62 -25.989 1.130 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -24.717 2.728 -10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -26.177 3.577 -11.027 1.00 0.00 H new ATOM 986 N GLN A 63 -25.574 3.759 -7.831 1.00 0.00 N ATOM 987 CA GLN A 63 -25.356 4.709 -6.705 1.00 0.00 C ATOM 988 C GLN A 63 -23.863 4.905 -6.435 1.00 0.00 C ATOM 989 O GLN A 63 -23.464 5.881 -5.834 1.00 0.00 O ATOM 990 CB GLN A 63 -26.027 4.045 -5.503 1.00 0.00 C ATOM 991 CG GLN A 63 -27.538 4.267 -5.572 1.00 0.00 C ATOM 992 CD GLN A 63 -27.890 5.744 -5.348 1.00 0.00 C ATOM 993 OE1 GLN A 63 -28.854 6.237 -5.898 1.00 0.00 O ATOM 994 NE2 GLN A 63 -27.151 6.478 -4.561 1.00 0.00 N ATOM 0 H GLN A 63 -25.846 2.817 -7.551 1.00 0.00 H new ATOM 0 HA GLN A 63 -25.764 5.696 -6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.806 2.978 -5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -25.630 4.460 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.912 3.944 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -28.034 3.654 -4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -26.340 6.070 -4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.385 7.459 -4.411 1.00 0.00 H new ATOM 1003 N THR A 64 -23.038 3.974 -6.857 1.00 0.00 N ATOM 1004 CA THR A 64 -21.570 4.083 -6.607 1.00 0.00 C ATOM 1005 C THR A 64 -21.328 4.479 -5.149 1.00 0.00 C ATOM 1006 O THR A 64 -20.625 5.426 -4.842 1.00 0.00 O ATOM 1007 CB THR A 64 -21.081 5.159 -7.562 1.00 0.00 C ATOM 1008 OG1 THR A 64 -21.221 4.697 -8.898 1.00 0.00 O ATOM 1009 CG2 THR A 64 -19.611 5.472 -7.279 1.00 0.00 C ATOM 0 H THR A 64 -23.325 3.139 -7.367 1.00 0.00 H new ATOM 0 HA THR A 64 -21.041 3.144 -6.772 1.00 0.00 H new ATOM 0 HB THR A 64 -21.672 6.064 -7.423 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.090 3.726 -8.924 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.265 6.244 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.505 5.825 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.014 4.570 -7.416 1.00 0.00 H new ATOM 1017 N HIS A 65 -21.919 3.750 -4.249 1.00 0.00 N ATOM 1018 CA HIS A 65 -21.743 4.053 -2.804 1.00 0.00 C ATOM 1019 C HIS A 65 -20.305 3.704 -2.383 1.00 0.00 C ATOM 1020 O HIS A 65 -19.435 3.514 -3.214 1.00 0.00 O ATOM 1021 CB HIS A 65 -22.760 3.158 -2.089 1.00 0.00 C ATOM 1022 CG HIS A 65 -24.131 3.783 -2.114 1.00 0.00 C ATOM 1023 ND1 HIS A 65 -25.283 3.012 -2.091 1.00 0.00 N ATOM 1024 CD2 HIS A 65 -24.560 5.090 -2.159 1.00 0.00 C ATOM 1025 CE1 HIS A 65 -26.335 3.848 -2.124 1.00 0.00 C ATOM 1026 NE2 HIS A 65 -25.951 5.123 -2.163 1.00 0.00 N ATOM 0 H HIS A 65 -22.521 2.952 -4.453 1.00 0.00 H new ATOM 0 HA HIS A 65 -21.901 5.105 -2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -22.792 2.180 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -22.447 2.996 -1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -23.916 5.957 -2.187 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -27.366 3.525 -2.119 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -26.550 5.948 -2.190 1.00 0.00 H new ATOM 1034 N GLN A 66 -20.043 3.641 -1.106 1.00 0.00 N ATOM 1035 CA GLN A 66 -18.661 3.329 -0.638 1.00 0.00 C ATOM 1036 C GLN A 66 -18.684 2.203 0.398 1.00 0.00 C ATOM 1037 O GLN A 66 -18.009 1.202 0.257 1.00 0.00 O ATOM 1038 CB GLN A 66 -18.159 4.627 -0.003 1.00 0.00 C ATOM 1039 CG GLN A 66 -17.570 5.551 -1.080 1.00 0.00 C ATOM 1040 CD GLN A 66 -18.675 6.304 -1.847 1.00 0.00 C ATOM 1041 OE1 GLN A 66 -18.422 6.834 -2.910 1.00 0.00 O ATOM 1042 NE2 GLN A 66 -19.890 6.381 -1.364 1.00 0.00 N ATOM 0 H GLN A 66 -20.727 3.792 -0.365 1.00 0.00 H new ATOM 0 HA GLN A 66 -18.020 2.992 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -18.979 5.130 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -17.402 4.404 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -16.895 6.269 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -16.976 4.963 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -20.113 5.939 -0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -20.613 6.883 -1.880 1.00 0.00 H new ATOM 1051 N ASP A 67 -19.447 2.377 1.442 1.00 0.00 N ATOM 1052 CA ASP A 67 -19.526 1.341 2.517 1.00 0.00 C ATOM 1053 C ASP A 67 -20.450 0.162 2.130 1.00 0.00 C ATOM 1054 O ASP A 67 -20.121 -0.974 2.412 1.00 0.00 O ATOM 1055 CB ASP A 67 -20.083 2.095 3.729 1.00 0.00 C ATOM 1056 CG ASP A 67 -20.319 1.131 4.896 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -19.369 0.488 5.315 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -21.446 1.060 5.355 1.00 0.00 O ATOM 0 H ASP A 67 -20.026 3.201 1.600 1.00 0.00 H new ATOM 0 HA ASP A 67 -18.553 0.888 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -19.386 2.877 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -21.018 2.587 3.461 1.00 0.00 H new ATOM 1063 N PRO A 68 -21.583 0.457 1.520 1.00 0.00 N ATOM 1064 CA PRO A 68 -22.534 -0.615 1.133 1.00 0.00 C ATOM 1065 C PRO A 68 -22.237 -1.211 -0.260 1.00 0.00 C ATOM 1066 O PRO A 68 -22.770 -2.249 -0.605 1.00 0.00 O ATOM 1067 CB PRO A 68 -23.877 0.103 1.122 1.00 0.00 C ATOM 1068 CG PRO A 68 -23.559 1.552 0.871 1.00 0.00 C ATOM 1069 CD PRO A 68 -22.090 1.783 1.150 1.00 0.00 C ATOM 0 HA PRO A 68 -22.483 -1.464 1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -24.528 -0.296 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -24.398 -0.025 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -23.794 1.817 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -24.170 2.189 1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -21.575 2.176 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -21.946 2.504 1.955 1.00 0.00 H new ATOM 1077 N ILE A 69 -21.426 -0.568 -1.076 1.00 0.00 N ATOM 1078 CA ILE A 69 -21.153 -1.103 -2.429 1.00 0.00 C ATOM 1079 C ILE A 69 -19.640 -1.358 -2.690 1.00 0.00 C ATOM 1080 O ILE A 69 -19.228 -1.390 -3.834 1.00 0.00 O ATOM 1081 CB ILE A 69 -21.722 0.001 -3.330 1.00 0.00 C ATOM 1082 CG1 ILE A 69 -22.477 -0.629 -4.502 1.00 0.00 C ATOM 1083 CG2 ILE A 69 -20.604 0.935 -3.821 1.00 0.00 C ATOM 1084 CD1 ILE A 69 -21.619 -0.610 -5.756 1.00 0.00 C ATOM 0 H ILE A 69 -20.947 0.304 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.599 -2.083 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.421 0.607 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -22.751 -1.655 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -23.405 -0.085 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.031 1.710 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -20.115 1.398 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -19.873 0.360 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -22.170 -1.062 -6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -21.367 0.420 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.704 -1.175 -5.579 1.00 0.00 H new ATOM 1096 N PRO A 70 -18.850 -1.576 -1.645 1.00 0.00 N ATOM 1097 CA PRO A 70 -17.404 -1.862 -1.856 1.00 0.00 C ATOM 1098 C PRO A 70 -17.246 -3.242 -2.516 1.00 0.00 C ATOM 1099 O PRO A 70 -16.171 -3.624 -2.938 1.00 0.00 O ATOM 1100 CB PRO A 70 -16.816 -1.855 -0.448 1.00 0.00 C ATOM 1101 CG PRO A 70 -17.975 -2.182 0.435 1.00 0.00 C ATOM 1102 CD PRO A 70 -19.199 -1.594 -0.219 1.00 0.00 C ATOM 0 HA PRO A 70 -16.908 -1.143 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -16.018 -2.590 -0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.388 -0.884 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.080 -3.261 0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.831 -1.765 1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.085 -2.200 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.412 -0.593 0.155 1.00 0.00 H new ATOM 1110 N LYS A 71 -18.332 -3.975 -2.617 1.00 0.00 N ATOM 1111 CA LYS A 71 -18.310 -5.320 -3.259 1.00 0.00 C ATOM 1112 C LYS A 71 -17.888 -5.193 -4.718 1.00 0.00 C ATOM 1113 O LYS A 71 -17.113 -5.975 -5.235 1.00 0.00 O ATOM 1114 CB LYS A 71 -19.772 -5.784 -3.256 1.00 0.00 C ATOM 1115 CG LYS A 71 -20.244 -6.245 -1.885 1.00 0.00 C ATOM 1116 CD LYS A 71 -20.757 -5.060 -1.063 1.00 0.00 C ATOM 1117 CE LYS A 71 -19.899 -4.902 0.197 1.00 0.00 C ATOM 1118 NZ LYS A 71 -20.395 -5.961 1.125 1.00 0.00 N ATOM 0 H LYS A 71 -19.248 -3.687 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 71 -17.628 -5.994 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -20.408 -4.967 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -19.890 -6.600 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -21.036 -6.986 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -19.424 -6.732 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.719 -4.148 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -21.800 -5.219 -0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.840 -5.034 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.012 -3.909 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.799 -5.517 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.127 -6.525 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.605 -6.579 1.400 1.00 0.00 H new ATOM 1132 N GLN A 72 -18.474 -4.233 -5.392 1.00 0.00 N ATOM 1133 CA GLN A 72 -18.230 -4.039 -6.849 1.00 0.00 C ATOM 1134 C GLN A 72 -19.018 -2.813 -7.323 1.00 0.00 C ATOM 1135 O GLN A 72 -19.616 -2.138 -6.518 1.00 0.00 O ATOM 1136 CB GLN A 72 -18.801 -5.311 -7.513 1.00 0.00 C ATOM 1137 CG GLN A 72 -19.870 -5.985 -6.621 1.00 0.00 C ATOM 1138 CD GLN A 72 -21.209 -5.227 -6.678 1.00 0.00 C ATOM 1139 OE1 GLN A 72 -22.004 -5.478 -7.560 1.00 0.00 O ATOM 1140 NE2 GLN A 72 -21.510 -4.310 -5.773 1.00 0.00 N ATOM 0 H GLN A 72 -19.124 -3.564 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 72 -17.178 -3.884 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -19.240 -5.054 -8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -17.992 -6.015 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -20.019 -7.015 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -19.515 -6.023 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -20.848 -4.092 -5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -22.404 -3.821 -5.820 1.00 0.00 H new ATOM 1149 N PRO A 73 -19.031 -2.577 -8.615 1.00 0.00 N ATOM 1150 CA PRO A 73 -19.813 -1.437 -9.159 1.00 0.00 C ATOM 1151 C PRO A 73 -21.320 -1.697 -8.966 1.00 0.00 C ATOM 1152 O PRO A 73 -22.039 -0.846 -8.490 1.00 0.00 O ATOM 1153 CB PRO A 73 -19.440 -1.414 -10.636 1.00 0.00 C ATOM 1154 CG PRO A 73 -19.016 -2.821 -10.921 1.00 0.00 C ATOM 1155 CD PRO A 73 -18.332 -3.315 -9.677 1.00 0.00 C ATOM 0 HA PRO A 73 -19.600 -0.488 -8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.285 -1.118 -11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.635 -0.706 -10.834 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.876 -3.444 -11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.342 -2.858 -11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.436 -4.393 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.264 -3.097 -9.687 1.00 0.00 H new ATOM 1163 N SER A 74 -21.785 -2.883 -9.316 1.00 0.00 N ATOM 1164 CA SER A 74 -23.236 -3.245 -9.145 1.00 0.00 C ATOM 1165 C SER A 74 -24.150 -2.323 -9.962 1.00 0.00 C ATOM 1166 O SER A 74 -24.344 -1.178 -9.617 1.00 0.00 O ATOM 1167 CB SER A 74 -23.514 -3.114 -7.633 1.00 0.00 C ATOM 1168 OG SER A 74 -24.700 -2.367 -7.395 1.00 0.00 O ATOM 0 H SER A 74 -21.211 -3.624 -9.718 1.00 0.00 H new ATOM 0 HA SER A 74 -23.440 -4.252 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.610 -4.105 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.669 -2.627 -7.145 1.00 0.00 H new ATOM 0 HG SER A 74 -24.595 -1.462 -7.756 1.00 0.00 H new ATOM 1174 N SER A 75 -24.725 -2.827 -11.036 1.00 0.00 N ATOM 1175 CA SER A 75 -25.653 -2.002 -11.888 1.00 0.00 C ATOM 1176 C SER A 75 -24.882 -1.044 -12.818 1.00 0.00 C ATOM 1177 O SER A 75 -25.391 -0.643 -13.847 1.00 0.00 O ATOM 1178 CB SER A 75 -26.542 -1.225 -10.908 1.00 0.00 C ATOM 1179 OG SER A 75 -27.877 -1.198 -11.395 1.00 0.00 O ATOM 0 H SER A 75 -24.589 -3.784 -11.361 1.00 0.00 H new ATOM 0 HA SER A 75 -26.242 -2.639 -12.548 1.00 0.00 H new ATOM 0 HB2 SER A 75 -26.512 -1.694 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 75 -26.167 -0.209 -10.788 1.00 0.00 H new ATOM 0 HG SER A 75 -28.157 -0.269 -11.531 1.00 0.00 H new ATOM 1185 N GLN A 76 -23.668 -0.681 -12.482 1.00 0.00 N ATOM 1186 CA GLN A 76 -22.879 0.236 -13.367 1.00 0.00 C ATOM 1187 C GLN A 76 -22.312 -0.527 -14.580 1.00 0.00 C ATOM 1188 O GLN A 76 -22.322 -0.004 -15.678 1.00 0.00 O ATOM 1189 CB GLN A 76 -21.735 0.762 -12.498 1.00 0.00 C ATOM 1190 CG GLN A 76 -22.172 2.041 -11.780 1.00 0.00 C ATOM 1191 CD GLN A 76 -22.297 1.753 -10.285 1.00 0.00 C ATOM 1192 OE1 GLN A 76 -21.468 2.170 -9.503 1.00 0.00 O ATOM 1193 NE2 GLN A 76 -23.297 1.043 -9.853 1.00 0.00 N ATOM 0 H GLN A 76 -23.188 -0.980 -11.633 1.00 0.00 H new ATOM 0 HA GLN A 76 -23.501 1.041 -13.759 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -21.444 0.006 -11.768 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -20.860 0.962 -13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -21.446 2.836 -11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -23.125 2.389 -12.178 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -23.994 0.692 -10.509 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -23.384 0.837 -8.858 1.00 0.00 H new ATOM 1202 N PRO A 77 -21.825 -1.736 -14.352 1.00 0.00 N ATOM 1203 CA PRO A 77 -21.249 -2.534 -15.463 1.00 0.00 C ATOM 1204 C PRO A 77 -22.353 -3.147 -16.338 1.00 0.00 C ATOM 1205 O PRO A 77 -22.078 -3.685 -17.394 1.00 0.00 O ATOM 1206 CB PRO A 77 -20.459 -3.629 -14.756 1.00 0.00 C ATOM 1207 CG PRO A 77 -21.118 -3.779 -13.421 1.00 0.00 C ATOM 1208 CD PRO A 77 -21.762 -2.461 -13.071 1.00 0.00 C ATOM 0 HA PRO A 77 -20.636 -1.930 -16.132 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -20.488 -4.563 -15.318 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -19.410 -3.353 -14.650 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -21.865 -4.572 -13.451 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -20.386 -4.059 -12.663 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -22.755 -2.604 -12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -21.175 -1.915 -12.333 1.00 0.00 H new ATOM 1216 N ARG A 78 -23.594 -3.085 -15.908 1.00 0.00 N ATOM 1217 CA ARG A 78 -24.698 -3.681 -16.720 1.00 0.00 C ATOM 1218 C ARG A 78 -26.001 -2.883 -16.557 1.00 0.00 C ATOM 1219 O ARG A 78 -27.083 -3.443 -16.561 1.00 0.00 O ATOM 1220 CB ARG A 78 -24.864 -5.101 -16.161 1.00 0.00 C ATOM 1221 CG ARG A 78 -25.140 -5.034 -14.653 1.00 0.00 C ATOM 1222 CD ARG A 78 -25.246 -6.449 -14.079 1.00 0.00 C ATOM 1223 NE ARG A 78 -25.509 -6.230 -12.625 1.00 0.00 N ATOM 1224 CZ ARG A 78 -25.244 -7.174 -11.761 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -24.003 -7.494 -11.498 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -26.222 -7.799 -11.158 1.00 0.00 N ATOM 0 H ARG A 78 -23.886 -2.649 -15.033 1.00 0.00 H new ATOM 0 HA ARG A 78 -24.469 -3.674 -17.786 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -25.684 -5.608 -16.668 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -23.963 -5.684 -16.350 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -24.341 -4.488 -14.152 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -26.064 -4.487 -14.468 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.052 -7.012 -14.550 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -24.328 -7.014 -14.238 1.00 0.00 H new ATOM 0 HE ARG A 78 -25.896 -5.342 -12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -23.240 -7.006 -11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -23.798 -8.231 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -27.190 -7.549 -11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -26.017 -8.536 -10.483 1.00 0.00 H new ATOM 1240 N GLY A 79 -25.913 -1.584 -16.416 1.00 0.00 N ATOM 1241 CA GLY A 79 -27.148 -0.762 -16.254 1.00 0.00 C ATOM 1242 C GLY A 79 -26.939 0.610 -16.896 1.00 0.00 C ATOM 1243 O GLY A 79 -26.738 0.722 -18.091 1.00 0.00 O ATOM 0 H GLY A 79 -25.039 -1.059 -16.406 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -27.996 -1.266 -16.718 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -27.385 -0.647 -15.196 1.00 0.00 H new ATOM 1247 N ASP A 80 -26.984 1.654 -16.107 1.00 0.00 N ATOM 1248 CA ASP A 80 -26.786 3.027 -16.661 1.00 0.00 C ATOM 1249 C ASP A 80 -25.296 3.269 -16.944 1.00 0.00 C ATOM 1250 O ASP A 80 -24.450 2.865 -16.167 1.00 0.00 O ATOM 1251 CB ASP A 80 -27.288 3.975 -15.564 1.00 0.00 C ATOM 1252 CG ASP A 80 -27.112 5.430 -16.010 1.00 0.00 C ATOM 1253 OD1 ASP A 80 -26.052 5.983 -15.760 1.00 0.00 O ATOM 1254 OD2 ASP A 80 -28.038 5.967 -16.595 1.00 0.00 O ATOM 0 H ASP A 80 -27.150 1.614 -15.101 1.00 0.00 H new ATOM 0 HA ASP A 80 -27.318 3.177 -17.601 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -28.338 3.775 -15.352 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -26.737 3.800 -14.640 1.00 0.00 H new ATOM 1259 N PRO A 81 -25.025 3.930 -18.047 1.00 0.00 N ATOM 1260 CA PRO A 81 -23.622 4.234 -18.425 1.00 0.00 C ATOM 1261 C PRO A 81 -23.029 5.264 -17.454 1.00 0.00 C ATOM 1262 O PRO A 81 -23.083 6.459 -17.687 1.00 0.00 O ATOM 1263 CB PRO A 81 -23.742 4.805 -19.837 1.00 0.00 C ATOM 1264 CG PRO A 81 -25.137 5.342 -19.902 1.00 0.00 C ATOM 1265 CD PRO A 81 -25.985 4.448 -19.035 1.00 0.00 C ATOM 0 HA PRO A 81 -22.964 3.366 -18.387 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -23.005 5.589 -20.013 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -23.576 4.037 -20.592 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -25.172 6.372 -19.547 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -25.503 5.346 -20.929 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -26.795 5.000 -18.558 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -26.443 3.644 -19.612 1.00 0.00 H new ATOM 1273 N THR A 82 -22.469 4.805 -16.362 1.00 0.00 N ATOM 1274 CA THR A 82 -21.874 5.746 -15.362 1.00 0.00 C ATOM 1275 C THR A 82 -20.581 6.352 -15.912 1.00 0.00 C ATOM 1276 O THR A 82 -20.385 7.553 -15.872 1.00 0.00 O ATOM 1277 CB THR A 82 -21.577 4.905 -14.109 1.00 0.00 C ATOM 1278 OG1 THR A 82 -21.358 3.544 -14.472 1.00 0.00 O ATOM 1279 CG2 THR A 82 -22.759 4.993 -13.142 1.00 0.00 C ATOM 0 H THR A 82 -22.398 3.817 -16.119 1.00 0.00 H new ATOM 0 HA THR A 82 -22.551 6.570 -15.137 1.00 0.00 H new ATOM 0 HB THR A 82 -20.680 5.292 -13.626 1.00 0.00 H new ATOM 0 HG1 THR A 82 -22.204 3.052 -14.424 1.00 0.00 H new ATOM 0 HG21 THR A 82 -22.548 4.397 -12.254 1.00 0.00 H new ATOM 0 HG22 THR A 82 -22.916 6.032 -12.852 1.00 0.00 H new ATOM 0 HG23 THR A 82 -23.657 4.613 -13.629 1.00 0.00 H new ATOM 1287 N GLY A 83 -19.699 5.530 -16.423 1.00 0.00 N ATOM 1288 CA GLY A 83 -18.420 6.055 -16.974 1.00 0.00 C ATOM 1289 C GLY A 83 -17.435 4.901 -17.181 1.00 0.00 C ATOM 1290 O GLY A 83 -17.496 4.211 -18.181 1.00 0.00 O ATOM 0 H GLY A 83 -19.813 4.518 -16.481 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.602 6.564 -17.920 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.994 6.791 -16.292 1.00 0.00 H new ATOM 1294 N PRO A 84 -16.544 4.734 -16.230 1.00 0.00 N ATOM 1295 CA PRO A 84 -15.527 3.672 -16.306 1.00 0.00 C ATOM 1296 C PRO A 84 -15.948 2.419 -15.518 1.00 0.00 C ATOM 1297 O PRO A 84 -15.217 1.446 -15.464 1.00 0.00 O ATOM 1298 CB PRO A 84 -14.319 4.340 -15.655 1.00 0.00 C ATOM 1299 CG PRO A 84 -14.891 5.405 -14.746 1.00 0.00 C ATOM 1300 CD PRO A 84 -16.382 5.508 -15.003 1.00 0.00 C ATOM 0 HA PRO A 84 -15.350 3.318 -17.322 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.727 3.619 -15.091 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.660 4.776 -16.405 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.703 5.153 -13.702 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.407 6.363 -14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.965 5.093 -14.181 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -16.702 6.542 -15.130 1.00 0.00 H new ATOM 1308 N LYS A 85 -17.113 2.425 -14.914 1.00 0.00 N ATOM 1309 CA LYS A 85 -17.566 1.226 -14.141 1.00 0.00 C ATOM 1310 C LYS A 85 -18.321 0.249 -15.058 1.00 0.00 C ATOM 1311 O LYS A 85 -18.864 -0.740 -14.605 1.00 0.00 O ATOM 1312 CB LYS A 85 -18.499 1.778 -13.062 1.00 0.00 C ATOM 1313 CG LYS A 85 -17.765 2.833 -12.227 1.00 0.00 C ATOM 1314 CD LYS A 85 -18.520 3.063 -10.917 1.00 0.00 C ATOM 1315 CE LYS A 85 -18.452 1.792 -10.064 1.00 0.00 C ATOM 1316 NZ LYS A 85 -18.505 2.283 -8.656 1.00 0.00 N ATOM 0 H LYS A 85 -17.768 3.207 -14.923 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.729 0.674 -13.714 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.383 2.218 -13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.844 0.969 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.747 2.504 -12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.691 3.766 -12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.084 3.902 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.559 3.322 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.284 1.123 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.535 1.234 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.261 1.507 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.827 3.062 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.464 2.623 -8.443 1.00 0.00 H new ATOM 1330 N GLU A 86 -18.355 0.525 -16.340 1.00 0.00 N ATOM 1331 CA GLU A 86 -19.070 -0.375 -17.297 1.00 0.00 C ATOM 1332 C GLU A 86 -18.241 -1.636 -17.576 1.00 0.00 C ATOM 1333 O GLU A 86 -17.048 -1.504 -17.803 1.00 0.00 O ATOM 1334 CB GLU A 86 -19.237 0.459 -18.571 1.00 0.00 C ATOM 1335 CG GLU A 86 -20.151 1.651 -18.272 1.00 0.00 C ATOM 1336 CD GLU A 86 -20.437 2.433 -19.559 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -21.045 1.867 -20.454 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -20.046 3.587 -19.624 1.00 0.00 O ATOM 1339 OXT GLU A 86 -18.815 -2.711 -17.556 1.00 0.00 O ATOM 0 H GLU A 86 -17.915 1.341 -16.766 1.00 0.00 H new ATOM 0 HA GLU A 86 -20.027 -0.717 -16.904 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.266 0.808 -18.922 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -19.663 -0.151 -19.367 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -21.086 1.301 -17.835 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.680 2.304 -17.537 1.00 0.00 H new TER 1346 GLU A 86