USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 659 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 32 TYR OH : rot 180:sc= 0.0735 USER MOD Set 1.2: A 35 GLN : amide:sc=-0.000743 X(o=0.073,f=-0.37!) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -0.72 K(o=-1.9,f=-15!) USER MOD Set 2.2: A 63 GLN : amide:sc= -1.22 K(o=-1.9,f=-4.1!) USER MOD Set 3.1: A 27 CYS SG : rot 147:sc= 1.03 USER MOD Set 3.2: A 30 CYS SG : rot 180:sc= 0.636 USER MOD Set 4.1: A 23 ASN : amide:sc= 0.584 K(o=0.63,f=-5!) USER MOD Set 4.2: A 25 CYS SG : rot 57:sc= 0.0434 USER MOD Set 5.1: A 12 ASN : amide:sc= 0.482 K(o=2.1,f=-2.2) USER MOD Set 5.2: A 19 LYS NZ :NH3+ -163:sc= 1.62 (180deg=0.523) USER MOD Single : A 7 ASN : amide:sc= -2.35! C(o=-2.4!,f=-4.4!) USER MOD Single : A 13 HIS : no HD1:sc= -8.34! C(o=-8.3!,f=-8.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.135 K(o=0.13,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 55:sc= 0.136 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= 0.457 (180deg=-0.744) USER MOD Single : A 31 CYS SG : rot -97:sc= 0.528 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc=-0.00731 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 1.09 (180deg=1.02) USER MOD Single : A 46 SER OG : rot 77:sc= 0.415 USER MOD Single : A 47 TYR OH : rot 34:sc= 0.994 USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= 1.01 (180deg=-0.418) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.659 K(o=0.66,f=-4.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.165 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -21:sc= 0.358 USER MOD Single : A 65 HIS : no HE2:sc= -0.846 X(o=-0.85,f=-0.62) USER MOD Single : A 66 GLN : amide:sc= -2.96! C(o=-3!,f=-2.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 1.12 K(o=1.1,f=-0.011) USER MOD Single : A 74 SER OG : rot -150:sc= 2.16 USER MOD Single : A 75 SER OG : rot -54:sc= -0.113 USER MOD Single : A 76 GLN : amide:sc= -0.413 K(o=-0.41,f=-5.9!) USER MOD Single : A 82 THR OG1 : rot -63:sc= 0.794 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 1.07 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A 3 -10.766 -2.905 12.936 1.00 0.00 N ATOM 33 CA PRO A 3 -9.718 -2.140 13.661 1.00 0.00 C ATOM 34 C PRO A 3 -8.577 -1.719 12.710 1.00 0.00 C ATOM 35 O PRO A 3 -7.559 -2.389 12.590 1.00 0.00 O ATOM 36 CB PRO A 3 -9.232 -3.118 14.726 1.00 0.00 C ATOM 37 CG PRO A 3 -9.584 -4.538 14.221 1.00 0.00 C ATOM 38 CD PRO A 3 -10.698 -4.371 13.171 1.00 0.00 C ATOM 0 HA PRO A 3 -10.090 -1.209 14.089 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.158 -3.018 14.882 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.713 -2.918 15.683 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.710 -5.021 13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.919 -5.169 15.044 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.463 -4.910 12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.649 -4.760 13.535 1.00 0.00 H new ATOM 46 N VAL A 4 -8.772 -0.623 12.022 1.00 0.00 N ATOM 47 CA VAL A 4 -7.746 -0.119 11.032 1.00 0.00 C ATOM 48 C VAL A 4 -7.669 1.410 10.960 1.00 0.00 C ATOM 49 O VAL A 4 -6.666 1.941 10.545 1.00 0.00 O ATOM 50 CB VAL A 4 -8.108 -0.578 9.618 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.048 -2.079 9.530 1.00 0.00 C ATOM 52 CG2 VAL A 4 -9.541 -0.154 9.265 1.00 0.00 C ATOM 0 H VAL A 4 -9.607 -0.042 12.099 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.794 -0.520 11.380 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.397 -0.122 8.930 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.307 -2.395 8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.040 -2.417 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.753 -2.513 10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.781 -0.489 8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.238 -0.604 9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.622 0.932 9.316 1.00 0.00 H new ATOM 62 N ASP A 5 -8.730 2.106 11.279 1.00 0.00 N ATOM 63 CA ASP A 5 -8.763 3.588 11.151 1.00 0.00 C ATOM 64 C ASP A 5 -7.667 4.394 11.893 1.00 0.00 C ATOM 65 O ASP A 5 -7.346 5.469 11.409 1.00 0.00 O ATOM 66 CB ASP A 5 -10.154 4.052 11.454 1.00 0.00 C ATOM 67 CG ASP A 5 -10.530 3.760 12.912 1.00 0.00 C ATOM 68 OD1 ASP A 5 -10.953 2.646 13.181 1.00 0.00 O ATOM 69 OD2 ASP A 5 -10.371 4.643 13.733 1.00 0.00 O ATOM 0 H ASP A 5 -9.595 1.695 11.631 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.494 3.811 10.119 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.233 5.122 11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.859 3.556 10.787 1.00 0.00 H new ATOM 74 N PRO A 6 -7.005 3.867 12.937 1.00 0.00 N ATOM 75 CA PRO A 6 -5.867 4.589 13.533 1.00 0.00 C ATOM 76 C PRO A 6 -4.584 4.270 12.681 1.00 0.00 C ATOM 77 O PRO A 6 -3.466 4.438 13.139 1.00 0.00 O ATOM 78 CB PRO A 6 -5.790 4.029 14.961 1.00 0.00 C ATOM 79 CG PRO A 6 -6.501 2.655 14.936 1.00 0.00 C ATOM 80 CD PRO A 6 -7.292 2.583 13.618 1.00 0.00 C ATOM 0 HA PRO A 6 -5.963 5.675 13.550 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.753 3.923 15.280 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.274 4.703 15.668 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.775 1.844 14.995 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.167 2.550 15.792 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.976 1.734 13.012 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.359 2.463 13.803 1.00 0.00 H new ATOM 88 N ASN A 7 -4.767 3.803 11.432 1.00 0.00 N ATOM 89 CA ASN A 7 -3.667 3.456 10.522 1.00 0.00 C ATOM 90 C ASN A 7 -3.215 4.670 9.731 1.00 0.00 C ATOM 91 O ASN A 7 -2.064 5.028 9.768 1.00 0.00 O ATOM 92 CB ASN A 7 -4.181 2.447 9.436 1.00 0.00 C ATOM 93 CG ASN A 7 -3.183 2.257 8.248 1.00 0.00 C ATOM 94 OD1 ASN A 7 -3.568 1.728 7.234 1.00 0.00 O ATOM 95 ND2 ASN A 7 -1.936 2.679 8.296 1.00 0.00 N ATOM 0 H ASN A 7 -5.691 3.656 11.026 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.863 3.050 11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.364 1.481 9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.136 2.799 9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.324 2.555 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.582 3.130 9.140 1.00 0.00 H new ATOM 102 N ILE A 8 -4.117 5.112 8.868 1.00 0.00 N ATOM 103 CA ILE A 8 -3.813 6.118 7.808 1.00 0.00 C ATOM 104 C ILE A 8 -2.780 7.170 8.179 1.00 0.00 C ATOM 105 O ILE A 8 -3.058 8.247 8.642 1.00 0.00 O ATOM 106 CB ILE A 8 -5.044 6.673 7.042 1.00 0.00 C ATOM 107 CG1 ILE A 8 -6.397 6.118 7.572 1.00 0.00 C ATOM 108 CG2 ILE A 8 -4.859 6.181 5.599 1.00 0.00 C ATOM 109 CD1 ILE A 8 -7.472 6.102 6.484 1.00 0.00 C ATOM 0 H ILE A 8 -5.087 4.796 8.865 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.300 5.510 7.063 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.090 7.756 7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.251 5.107 7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.737 6.728 8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.690 6.530 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.923 6.571 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.832 5.091 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.401 5.707 6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.638 7.116 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.144 5.471 5.658 1.00 0.00 H new ATOM 121 N GLU A 9 -1.563 6.773 7.886 1.00 0.00 N ATOM 122 CA GLU A 9 -0.339 7.579 8.079 1.00 0.00 C ATOM 123 C GLU A 9 0.707 7.004 7.111 1.00 0.00 C ATOM 124 O GLU A 9 1.042 7.671 6.142 1.00 0.00 O ATOM 125 CB GLU A 9 0.155 7.582 9.533 1.00 0.00 C ATOM 126 CG GLU A 9 0.460 9.028 9.943 1.00 0.00 C ATOM 127 CD GLU A 9 1.600 9.608 9.081 1.00 0.00 C ATOM 128 OE1 GLU A 9 2.747 9.393 9.427 1.00 0.00 O ATOM 129 OE2 GLU A 9 1.303 10.260 8.088 1.00 0.00 O ATOM 0 H GLU A 9 -1.372 5.852 7.492 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.538 8.629 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.602 7.154 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.048 6.965 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.435 9.640 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.740 9.062 10.996 1.00 0.00 H new ATOM 136 N PRO A 10 1.095 5.723 7.292 1.00 0.00 N ATOM 137 CA PRO A 10 1.967 5.054 6.321 1.00 0.00 C ATOM 138 C PRO A 10 1.143 4.821 5.025 1.00 0.00 C ATOM 139 O PRO A 10 1.706 4.796 3.946 1.00 0.00 O ATOM 140 CB PRO A 10 2.392 3.750 7.011 1.00 0.00 C ATOM 141 CG PRO A 10 1.341 3.480 8.102 1.00 0.00 C ATOM 142 CD PRO A 10 0.717 4.844 8.440 1.00 0.00 C ATOM 0 HA PRO A 10 2.852 5.621 6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.433 2.927 6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.388 3.845 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.583 2.781 7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.800 3.032 8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.366 4.770 8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.102 5.234 9.382 1.00 0.00 H new ATOM 150 N TRP A 11 -0.204 4.706 5.118 1.00 0.00 N ATOM 151 CA TRP A 11 -1.025 4.547 3.881 1.00 0.00 C ATOM 152 C TRP A 11 -1.214 5.928 3.210 1.00 0.00 C ATOM 153 O TRP A 11 -0.946 6.073 2.032 1.00 0.00 O ATOM 154 CB TRP A 11 -2.386 3.902 4.202 1.00 0.00 C ATOM 155 CG TRP A 11 -2.397 2.579 3.510 1.00 0.00 C ATOM 156 CD1 TRP A 11 -2.760 1.410 4.056 1.00 0.00 C ATOM 157 CD2 TRP A 11 -1.964 2.283 2.158 1.00 0.00 C ATOM 158 NE1 TRP A 11 -2.583 0.403 3.118 1.00 0.00 N ATOM 159 CE2 TRP A 11 -2.087 0.905 1.934 1.00 0.00 C ATOM 160 CE3 TRP A 11 -1.479 3.089 1.116 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -1.732 0.347 0.717 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -1.122 2.532 -0.096 1.00 0.00 C ATOM 163 CH2 TRP A 11 -1.246 1.166 -0.294 1.00 0.00 C ATOM 0 H TRP A 11 -0.731 4.719 5.991 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.503 3.883 3.191 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.514 3.779 5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.206 4.530 3.853 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.130 1.274 5.062 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.793 -0.581 3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.384 4.155 1.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.832 -0.716 0.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.746 3.161 -0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.962 0.735 -1.243 1.00 0.00 H new ATOM 174 N ASN A 12 -1.649 6.959 3.942 1.00 0.00 N ATOM 175 CA ASN A 12 -1.817 8.317 3.290 1.00 0.00 C ATOM 176 C ASN A 12 -2.153 9.464 4.278 1.00 0.00 C ATOM 177 O ASN A 12 -1.726 10.582 4.040 1.00 0.00 O ATOM 178 CB ASN A 12 -2.923 8.246 2.212 1.00 0.00 C ATOM 179 CG ASN A 12 -2.355 8.687 0.856 1.00 0.00 C ATOM 180 OD1 ASN A 12 -1.657 9.681 0.765 1.00 0.00 O ATOM 181 ND2 ASN A 12 -2.617 7.987 -0.208 1.00 0.00 N ATOM 0 H ASN A 12 -1.887 6.916 4.933 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.847 8.556 2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.310 7.230 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.759 8.887 2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.239 8.271 -1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.201 7.153 -0.139 1.00 0.00 H new ATOM 188 N HIS A 13 -2.939 9.233 5.336 1.00 0.00 N ATOM 189 CA HIS A 13 -3.327 10.362 6.287 1.00 0.00 C ATOM 190 C HIS A 13 -4.281 11.341 5.496 1.00 0.00 C ATOM 191 O HIS A 13 -4.752 10.959 4.431 1.00 0.00 O ATOM 192 CB HIS A 13 -2.023 11.055 6.794 1.00 0.00 C ATOM 193 CG HIS A 13 -2.021 11.251 8.302 1.00 0.00 C ATOM 194 ND1 HIS A 13 -0.943 11.819 8.951 1.00 0.00 N ATOM 195 CD2 HIS A 13 -2.964 11.036 9.283 1.00 0.00 C ATOM 196 CE1 HIS A 13 -1.260 11.940 10.253 1.00 0.00 C ATOM 197 NE2 HIS A 13 -2.481 11.475 10.508 1.00 0.00 N ATOM 0 H HIS A 13 -3.324 8.320 5.578 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.862 10.005 7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.160 10.454 6.507 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -1.915 12.023 6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.935 10.592 9.123 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.604 12.363 11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.958 11.447 11.409 1.00 0.00 H new ATOM 205 N PRO A 14 -4.576 12.557 5.987 1.00 0.00 N ATOM 206 CA PRO A 14 -5.470 13.488 5.246 1.00 0.00 C ATOM 207 C PRO A 14 -4.731 14.134 4.052 1.00 0.00 C ATOM 208 O PRO A 14 -3.516 14.052 3.944 1.00 0.00 O ATOM 209 CB PRO A 14 -5.852 14.541 6.293 1.00 0.00 C ATOM 210 CG PRO A 14 -4.745 14.506 7.366 1.00 0.00 C ATOM 211 CD PRO A 14 -4.084 13.124 7.266 1.00 0.00 C ATOM 0 HA PRO A 14 -6.338 12.986 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.924 15.530 5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.825 14.319 6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.016 15.298 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.163 14.665 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.997 13.205 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.360 12.492 8.110 1.00 0.00 H new ATOM 219 N GLY A 15 -5.466 14.798 3.169 1.00 0.00 N ATOM 220 CA GLY A 15 -4.836 15.487 1.976 1.00 0.00 C ATOM 221 C GLY A 15 -3.762 16.507 2.418 1.00 0.00 C ATOM 222 O GLY A 15 -2.824 16.764 1.687 1.00 0.00 O ATOM 0 H GLY A 15 -6.480 14.892 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.385 14.742 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.608 15.996 1.398 1.00 0.00 H new ATOM 226 N SER A 16 -3.883 17.069 3.616 1.00 0.00 N ATOM 227 CA SER A 16 -2.861 18.055 4.131 1.00 0.00 C ATOM 228 C SER A 16 -1.517 17.360 4.495 1.00 0.00 C ATOM 229 O SER A 16 -0.534 18.042 4.733 1.00 0.00 O ATOM 230 CB SER A 16 -3.419 18.766 5.373 1.00 0.00 C ATOM 231 OG SER A 16 -3.767 17.798 6.368 1.00 0.00 O ATOM 0 H SER A 16 -4.652 16.882 4.259 1.00 0.00 H new ATOM 0 HA SER A 16 -2.662 18.775 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.678 19.460 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.295 19.356 5.103 1.00 0.00 H new ATOM 0 HG SER A 16 -4.121 18.255 7.159 1.00 0.00 H new ATOM 237 N GLN A 17 -1.459 16.029 4.537 1.00 0.00 N ATOM 238 CA GLN A 17 -0.180 15.315 4.867 1.00 0.00 C ATOM 239 C GLN A 17 0.363 14.629 3.584 1.00 0.00 C ATOM 240 O GLN A 17 -0.061 13.532 3.248 1.00 0.00 O ATOM 241 CB GLN A 17 -0.440 14.267 5.971 1.00 0.00 C ATOM 242 CG GLN A 17 0.596 14.426 7.101 1.00 0.00 C ATOM 243 CD GLN A 17 1.980 13.922 6.647 1.00 0.00 C ATOM 244 OE1 GLN A 17 2.608 14.515 5.796 1.00 0.00 O ATOM 245 NE2 GLN A 17 2.489 12.850 7.179 1.00 0.00 N ATOM 0 H GLN A 17 -2.253 15.415 4.354 1.00 0.00 H new ATOM 0 HA GLN A 17 0.560 16.027 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.447 14.388 6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.382 13.263 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.663 15.474 7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.271 13.869 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.972 12.341 7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.406 12.518 6.879 1.00 0.00 H new ATOM 254 N PRO A 18 1.283 15.296 2.885 1.00 0.00 N ATOM 255 CA PRO A 18 1.880 14.764 1.629 1.00 0.00 C ATOM 256 C PRO A 18 2.964 13.684 1.887 1.00 0.00 C ATOM 257 O PRO A 18 3.236 12.884 1.010 1.00 0.00 O ATOM 258 CB PRO A 18 2.511 16.004 0.981 1.00 0.00 C ATOM 259 CG PRO A 18 2.763 17.016 2.122 1.00 0.00 C ATOM 260 CD PRO A 18 1.814 16.633 3.269 1.00 0.00 C ATOM 0 HA PRO A 18 1.132 14.269 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.443 15.747 0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.848 16.427 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.802 16.979 2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.572 18.035 1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.341 16.592 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.011 17.362 3.380 1.00 0.00 H new ATOM 268 N LYS A 19 3.598 13.676 3.063 1.00 0.00 N ATOM 269 CA LYS A 19 4.698 12.678 3.385 1.00 0.00 C ATOM 270 C LYS A 19 5.933 12.915 2.459 1.00 0.00 C ATOM 271 O LYS A 19 6.679 11.994 2.157 1.00 0.00 O ATOM 272 CB LYS A 19 4.178 11.224 3.235 1.00 0.00 C ATOM 273 CG LYS A 19 3.428 10.791 4.505 1.00 0.00 C ATOM 274 CD LYS A 19 1.943 11.175 4.403 1.00 0.00 C ATOM 275 CE LYS A 19 1.211 10.218 3.451 1.00 0.00 C ATOM 276 NZ LYS A 19 0.518 11.005 2.379 1.00 0.00 N ATOM 0 H LYS A 19 3.393 14.329 3.819 1.00 0.00 H new ATOM 0 HA LYS A 19 5.006 12.826 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.516 11.155 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.014 10.549 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.524 9.714 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.874 11.265 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.482 11.140 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.849 12.200 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.920 9.521 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.486 9.622 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.197 10.408 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.055 11.835 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.215 11.319 1.674 1.00 0.00 H new ATOM 290 N THR A 20 6.157 14.148 2.020 1.00 0.00 N ATOM 291 CA THR A 20 7.329 14.464 1.123 1.00 0.00 C ATOM 292 C THR A 20 8.570 14.785 1.985 1.00 0.00 C ATOM 293 O THR A 20 8.918 15.939 2.199 1.00 0.00 O ATOM 294 CB THR A 20 6.981 15.664 0.208 1.00 0.00 C ATOM 295 OG1 THR A 20 6.412 16.716 0.981 1.00 0.00 O ATOM 296 CG2 THR A 20 5.970 15.231 -0.853 1.00 0.00 C ATOM 0 H THR A 20 5.571 14.951 2.249 1.00 0.00 H new ATOM 0 HA THR A 20 7.550 13.600 0.496 1.00 0.00 H new ATOM 0 HB THR A 20 7.895 16.013 -0.272 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.023 16.955 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.729 16.079 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.397 14.430 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.062 14.874 -0.366 1.00 0.00 H new ATOM 304 N ALA A 21 9.231 13.758 2.487 1.00 0.00 N ATOM 305 CA ALA A 21 10.452 13.963 3.349 1.00 0.00 C ATOM 306 C ALA A 21 11.435 12.772 3.232 1.00 0.00 C ATOM 307 O ALA A 21 12.634 12.976 3.139 1.00 0.00 O ATOM 308 CB ALA A 21 10.016 14.131 4.812 1.00 0.00 C ATOM 0 H ALA A 21 8.976 12.782 2.336 1.00 0.00 H new ATOM 0 HA ALA A 21 10.968 14.859 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.895 14.279 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.358 14.996 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.485 13.237 5.138 1.00 0.00 H new ATOM 314 N CYS A 22 10.937 11.536 3.251 1.00 0.00 N ATOM 315 CA CYS A 22 11.835 10.327 3.151 1.00 0.00 C ATOM 316 C CYS A 22 12.509 10.274 1.756 1.00 0.00 C ATOM 317 O CYS A 22 11.927 9.803 0.791 1.00 0.00 O ATOM 318 CB CYS A 22 11.007 9.051 3.399 1.00 0.00 C ATOM 319 SG CYS A 22 12.112 7.668 3.790 1.00 0.00 S ATOM 0 H CYS A 22 9.943 11.321 3.332 1.00 0.00 H new ATOM 0 HA CYS A 22 12.618 10.396 3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.308 9.214 4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 22 10.412 8.815 2.516 1.00 0.00 H new ATOM 0 HG CYS A 22 11.408 6.596 4.000 1.00 0.00 H new ATOM 325 N ASN A 23 13.738 10.776 1.670 1.00 0.00 N ATOM 326 CA ASN A 23 14.530 10.811 0.380 1.00 0.00 C ATOM 327 C ASN A 23 13.969 11.876 -0.592 1.00 0.00 C ATOM 328 O ASN A 23 12.770 12.089 -0.685 1.00 0.00 O ATOM 329 CB ASN A 23 14.528 9.426 -0.309 1.00 0.00 C ATOM 330 CG ASN A 23 15.870 9.181 -1.009 1.00 0.00 C ATOM 331 OD1 ASN A 23 16.277 9.943 -1.866 1.00 0.00 O ATOM 332 ND2 ASN A 23 16.583 8.144 -0.685 1.00 0.00 N ATOM 0 H ASN A 23 14.235 11.173 2.467 1.00 0.00 H new ATOM 0 HA ASN A 23 15.555 11.077 0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.347 8.645 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.716 9.374 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.476 7.974 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.250 7.500 0.032 1.00 0.00 H new ATOM 339 N ARG A 24 14.846 12.526 -1.334 1.00 0.00 N ATOM 340 CA ARG A 24 14.404 13.571 -2.337 1.00 0.00 C ATOM 341 C ARG A 24 14.030 12.884 -3.681 1.00 0.00 C ATOM 342 O ARG A 24 14.625 13.131 -4.721 1.00 0.00 O ATOM 343 CB ARG A 24 15.501 14.666 -2.538 1.00 0.00 C ATOM 344 CG ARG A 24 16.923 14.072 -2.701 1.00 0.00 C ATOM 345 CD ARG A 24 17.400 14.202 -4.154 1.00 0.00 C ATOM 346 NE ARG A 24 17.373 12.847 -4.798 1.00 0.00 N ATOM 347 CZ ARG A 24 18.331 11.994 -4.599 1.00 0.00 C ATOM 348 NH1 ARG A 24 19.443 12.107 -5.258 1.00 0.00 N ATOM 349 NH2 ARG A 24 18.169 11.029 -3.746 1.00 0.00 N ATOM 0 H ARG A 24 15.854 12.379 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 24 13.520 14.077 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.257 15.260 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.491 15.344 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.617 14.588 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.921 13.023 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.758 14.892 -4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.409 14.614 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 24 16.591 12.593 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.563 12.865 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.198 11.438 -5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.291 10.943 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.920 10.357 -3.587 1.00 0.00 H new ATOM 363 N CYS A 25 13.032 12.017 -3.656 1.00 0.00 N ATOM 364 CA CYS A 25 12.591 11.296 -4.900 1.00 0.00 C ATOM 365 C CYS A 25 11.307 11.944 -5.452 1.00 0.00 C ATOM 366 O CYS A 25 10.341 12.139 -4.730 1.00 0.00 O ATOM 367 CB CYS A 25 12.330 9.820 -4.565 1.00 0.00 C ATOM 368 SG CYS A 25 13.907 8.976 -4.273 1.00 0.00 S ATOM 0 H CYS A 25 12.502 11.779 -2.818 1.00 0.00 H new ATOM 0 HA CYS A 25 13.373 11.363 -5.656 1.00 0.00 H new ATOM 0 HB2 CYS A 25 11.696 9.744 -3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 25 11.795 9.340 -5.384 1.00 0.00 H new ATOM 0 HG CYS A 25 14.553 9.580 -3.320 1.00 0.00 H new ATOM 374 N HIS A 26 11.301 12.283 -6.726 1.00 0.00 N ATOM 375 CA HIS A 26 10.094 12.931 -7.348 1.00 0.00 C ATOM 376 C HIS A 26 9.348 11.902 -8.230 1.00 0.00 C ATOM 377 O HIS A 26 9.497 11.875 -9.444 1.00 0.00 O ATOM 378 CB HIS A 26 10.532 14.159 -8.178 1.00 0.00 C ATOM 379 CG HIS A 26 11.333 15.110 -7.318 1.00 0.00 C ATOM 380 ND1 HIS A 26 10.864 15.586 -6.102 1.00 0.00 N ATOM 381 CD2 HIS A 26 12.577 15.665 -7.480 1.00 0.00 C ATOM 382 CE1 HIS A 26 11.814 16.388 -5.585 1.00 0.00 C ATOM 383 NE2 HIS A 26 12.878 16.471 -6.386 1.00 0.00 N ATOM 0 H HIS A 26 12.084 12.138 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 26 9.414 13.270 -6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.130 13.837 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.655 14.669 -8.578 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.225 15.501 -8.328 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.726 16.901 -4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.730 17.010 -6.230 1.00 0.00 H new ATOM 391 N CYS A 27 8.547 11.052 -7.609 1.00 0.00 N ATOM 392 CA CYS A 27 7.773 10.009 -8.375 1.00 0.00 C ATOM 393 C CYS A 27 6.414 10.581 -8.843 1.00 0.00 C ATOM 394 O CYS A 27 5.883 11.512 -8.253 1.00 0.00 O ATOM 395 CB CYS A 27 7.557 8.766 -7.487 1.00 0.00 C ATOM 396 SG CYS A 27 6.485 9.169 -6.079 1.00 0.00 S ATOM 0 H CYS A 27 8.397 11.038 -6.600 1.00 0.00 H new ATOM 0 HA CYS A 27 8.344 9.720 -9.257 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.109 7.965 -8.075 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.518 8.398 -7.127 1.00 0.00 H new ATOM 0 HG CYS A 27 5.768 8.130 -5.768 1.00 0.00 H new ATOM 402 N LYS A 28 5.853 10.029 -9.904 1.00 0.00 N ATOM 403 CA LYS A 28 4.535 10.531 -10.430 1.00 0.00 C ATOM 404 C LYS A 28 3.396 9.550 -10.055 1.00 0.00 C ATOM 405 O LYS A 28 2.886 8.822 -10.898 1.00 0.00 O ATOM 406 CB LYS A 28 4.634 10.700 -11.961 1.00 0.00 C ATOM 407 CG LYS A 28 5.455 11.951 -12.293 1.00 0.00 C ATOM 408 CD LYS A 28 5.356 12.244 -13.796 1.00 0.00 C ATOM 409 CE LYS A 28 6.011 13.596 -14.105 1.00 0.00 C ATOM 410 NZ LYS A 28 4.991 14.686 -13.987 1.00 0.00 N ATOM 0 H LYS A 28 6.254 9.251 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 28 4.305 11.496 -9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.100 9.820 -12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.636 10.783 -12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.087 12.803 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.497 11.801 -12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.847 11.453 -14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.311 12.256 -14.106 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.835 13.779 -13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.433 13.586 -15.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.436 15.602 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.219 14.514 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.608 14.700 -13.020 1.00 0.00 H new ATOM 424 N LYS A 29 2.994 9.552 -8.784 1.00 0.00 N ATOM 425 CA LYS A 29 1.877 8.660 -8.272 1.00 0.00 C ATOM 426 C LYS A 29 2.275 7.159 -8.359 1.00 0.00 C ATOM 427 O LYS A 29 2.393 6.590 -9.434 1.00 0.00 O ATOM 428 CB LYS A 29 0.574 8.962 -9.061 1.00 0.00 C ATOM 429 CG LYS A 29 -0.521 7.912 -8.781 1.00 0.00 C ATOM 430 CD LYS A 29 -1.169 7.471 -10.107 1.00 0.00 C ATOM 431 CE LYS A 29 -0.317 6.385 -10.790 1.00 0.00 C ATOM 432 NZ LYS A 29 0.712 7.021 -11.682 1.00 0.00 N ATOM 0 H LYS A 29 3.405 10.150 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 29 1.699 8.874 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.206 9.952 -8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.792 8.984 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.090 7.050 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.277 8.330 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.172 7.089 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.274 8.330 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.174 5.770 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.957 5.724 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.983 6.352 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.315 7.881 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.551 7.271 -11.121 1.00 0.00 H new ATOM 446 N CYS A 30 2.469 6.521 -7.218 1.00 0.00 N ATOM 447 CA CYS A 30 2.852 5.062 -7.187 1.00 0.00 C ATOM 448 C CYS A 30 2.377 4.421 -5.839 1.00 0.00 C ATOM 449 O CYS A 30 1.227 4.594 -5.469 1.00 0.00 O ATOM 450 CB CYS A 30 4.384 4.961 -7.398 1.00 0.00 C ATOM 451 SG CYS A 30 5.262 5.939 -6.144 1.00 0.00 S ATOM 0 H CYS A 30 2.377 6.954 -6.299 1.00 0.00 H new ATOM 0 HA CYS A 30 2.363 4.503 -7.985 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.697 3.919 -7.340 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.645 5.318 -8.395 1.00 0.00 H new ATOM 0 HG CYS A 30 6.544 5.840 -6.336 1.00 0.00 H new ATOM 457 N CYS A 31 3.234 3.689 -5.116 1.00 0.00 N ATOM 458 CA CYS A 31 2.857 3.041 -3.801 1.00 0.00 C ATOM 459 C CYS A 31 1.899 1.842 -4.014 1.00 0.00 C ATOM 460 O CYS A 31 2.368 0.722 -4.039 1.00 0.00 O ATOM 461 CB CYS A 31 2.262 4.080 -2.822 1.00 0.00 C ATOM 462 SG CYS A 31 2.228 3.387 -1.148 1.00 0.00 S ATOM 0 H CYS A 31 4.199 3.516 -5.398 1.00 0.00 H new ATOM 0 HA CYS A 31 3.768 2.647 -3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.859 4.992 -2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.254 4.353 -3.134 1.00 0.00 H new ATOM 0 HG CYS A 31 1.045 2.907 -0.901 1.00 0.00 H new ATOM 468 N TYR A 32 0.581 2.080 -4.158 1.00 0.00 N ATOM 469 CA TYR A 32 -0.473 0.986 -4.355 1.00 0.00 C ATOM 470 C TYR A 32 -0.306 -0.203 -3.349 1.00 0.00 C ATOM 471 O TYR A 32 0.542 -0.174 -2.470 1.00 0.00 O ATOM 472 CB TYR A 32 -0.516 0.501 -5.839 1.00 0.00 C ATOM 473 CG TYR A 32 0.808 -0.074 -6.305 1.00 0.00 C ATOM 474 CD1 TYR A 32 1.127 -1.409 -6.035 1.00 0.00 C ATOM 475 CD2 TYR A 32 1.719 0.731 -7.003 1.00 0.00 C ATOM 476 CE1 TYR A 32 2.352 -1.939 -6.453 1.00 0.00 C ATOM 477 CE2 TYR A 32 2.944 0.199 -7.423 1.00 0.00 C ATOM 478 CZ TYR A 32 3.260 -1.137 -7.146 1.00 0.00 C ATOM 479 OH TYR A 32 4.470 -1.661 -7.554 1.00 0.00 O ATOM 0 H TYR A 32 0.187 3.021 -4.146 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.440 1.434 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.294 -0.255 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.791 1.337 -6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.425 -2.033 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.476 1.761 -7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.595 -2.969 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.646 0.819 -7.961 1.00 0.00 H new ATOM 0 HH TYR A 32 4.984 -0.971 -8.024 1.00 0.00 H new ATOM 489 N HIS A 33 -1.134 -1.237 -3.439 1.00 0.00 N ATOM 490 CA HIS A 33 -1.011 -2.386 -2.468 1.00 0.00 C ATOM 491 C HIS A 33 -0.288 -3.575 -3.134 1.00 0.00 C ATOM 492 O HIS A 33 0.740 -3.352 -3.740 1.00 0.00 O ATOM 493 CB HIS A 33 -2.398 -2.733 -1.880 1.00 0.00 C ATOM 494 CG HIS A 33 -2.241 -3.288 -0.475 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.888 -2.731 0.610 1.00 0.00 N ATOM 496 CD2 HIS A 33 -1.515 -4.342 0.038 1.00 0.00 C ATOM 497 CE1 HIS A 33 -2.554 -3.442 1.703 1.00 0.00 C ATOM 498 NE2 HIS A 33 -1.718 -4.433 1.408 1.00 0.00 N ATOM 0 H HIS A 33 -1.876 -1.331 -4.132 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.388 -2.100 -1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.027 -1.843 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.899 -3.464 -2.515 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.510 -1.923 0.587 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.882 -4.999 -0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.920 -3.233 2.697 1.00 0.00 H new ATOM 506 N CYS A 34 -0.741 -4.828 -2.980 1.00 0.00 N ATOM 507 CA CYS A 34 -0.004 -6.033 -3.546 1.00 0.00 C ATOM 508 C CYS A 34 1.307 -6.252 -2.733 1.00 0.00 C ATOM 509 O CYS A 34 1.526 -7.317 -2.189 1.00 0.00 O ATOM 510 CB CYS A 34 0.310 -5.859 -5.050 1.00 0.00 C ATOM 511 SG CYS A 34 -1.227 -5.604 -5.979 1.00 0.00 S ATOM 0 H CYS A 34 -1.599 -5.061 -2.480 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.646 -6.909 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.977 -5.009 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.830 -6.740 -5.426 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.952 -5.457 -7.241 1.00 0.00 H new ATOM 517 N GLN A 35 2.154 -5.236 -2.641 1.00 0.00 N ATOM 518 CA GLN A 35 3.437 -5.313 -1.870 1.00 0.00 C ATOM 519 C GLN A 35 3.194 -4.682 -0.463 1.00 0.00 C ATOM 520 O GLN A 35 2.849 -5.397 0.460 1.00 0.00 O ATOM 521 CB GLN A 35 4.560 -4.570 -2.657 1.00 0.00 C ATOM 522 CG GLN A 35 4.340 -4.702 -4.185 1.00 0.00 C ATOM 523 CD GLN A 35 5.670 -4.616 -4.951 1.00 0.00 C ATOM 524 OE1 GLN A 35 6.685 -5.104 -4.505 1.00 0.00 O ATOM 525 NE2 GLN A 35 5.706 -4.022 -6.106 1.00 0.00 N ATOM 0 H GLN A 35 1.995 -4.332 -3.086 1.00 0.00 H new ATOM 0 HA GLN A 35 3.760 -6.346 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.571 -3.517 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.533 -4.982 -2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.853 -5.652 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.669 -3.914 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.858 -3.607 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.582 -3.971 -6.626 1.00 0.00 H new ATOM 534 N VAL A 36 3.326 -3.355 -0.310 1.00 0.00 N ATOM 535 CA VAL A 36 3.076 -2.614 1.006 1.00 0.00 C ATOM 536 C VAL A 36 4.023 -3.031 2.178 1.00 0.00 C ATOM 537 O VAL A 36 4.547 -2.157 2.841 1.00 0.00 O ATOM 538 CB VAL A 36 1.580 -2.739 1.408 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.352 -2.307 2.865 1.00 0.00 C ATOM 540 CG2 VAL A 36 0.756 -1.818 0.511 1.00 0.00 C ATOM 0 H VAL A 36 3.607 -2.738 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 36 3.320 -1.568 0.819 1.00 0.00 H new ATOM 0 HB VAL A 36 1.283 -3.782 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.295 -2.407 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.942 -2.939 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.657 -1.268 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.297 -1.894 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.090 -0.789 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.886 -2.113 -0.530 1.00 0.00 H new ATOM 550 N CYS A 37 4.197 -4.322 2.462 1.00 0.00 N ATOM 551 CA CYS A 37 5.055 -4.811 3.616 1.00 0.00 C ATOM 552 C CYS A 37 4.238 -4.655 4.918 1.00 0.00 C ATOM 553 O CYS A 37 4.257 -3.625 5.572 1.00 0.00 O ATOM 554 CB CYS A 37 6.408 -4.063 3.713 1.00 0.00 C ATOM 555 SG CYS A 37 7.301 -4.188 2.138 1.00 0.00 S ATOM 0 H CYS A 37 3.766 -5.074 1.924 1.00 0.00 H new ATOM 0 HA CYS A 37 5.309 -5.857 3.448 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.237 -3.016 3.961 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.010 -4.487 4.517 1.00 0.00 H new ATOM 0 HG CYS A 37 8.433 -3.555 2.230 1.00 0.00 H new ATOM 561 N PHE A 38 3.475 -5.678 5.255 1.00 0.00 N ATOM 562 CA PHE A 38 2.584 -5.643 6.471 1.00 0.00 C ATOM 563 C PHE A 38 2.423 -7.094 7.036 1.00 0.00 C ATOM 564 O PHE A 38 3.355 -7.882 6.975 1.00 0.00 O ATOM 565 CB PHE A 38 1.210 -5.012 6.043 1.00 0.00 C ATOM 566 CG PHE A 38 0.572 -5.806 4.897 1.00 0.00 C ATOM 567 CD1 PHE A 38 1.057 -5.654 3.594 1.00 0.00 C ATOM 568 CD2 PHE A 38 -0.468 -6.713 5.140 1.00 0.00 C ATOM 569 CE1 PHE A 38 0.515 -6.396 2.543 1.00 0.00 C ATOM 570 CE2 PHE A 38 -0.999 -7.462 4.088 1.00 0.00 C ATOM 571 CZ PHE A 38 -0.510 -7.304 2.790 1.00 0.00 C ATOM 0 H PHE A 38 3.432 -6.551 4.729 1.00 0.00 H new ATOM 0 HA PHE A 38 3.013 -5.034 7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.533 -4.993 6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.362 -3.978 5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.858 -4.956 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.858 -6.833 6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.891 -6.265 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.793 -8.168 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.926 -7.885 1.980 1.00 0.00 H new ATOM 581 N ILE A 39 1.253 -7.453 7.559 1.00 0.00 N ATOM 582 CA ILE A 39 0.996 -8.854 8.106 1.00 0.00 C ATOM 583 C ILE A 39 1.253 -9.947 7.010 1.00 0.00 C ATOM 584 O ILE A 39 1.481 -11.102 7.339 1.00 0.00 O ATOM 585 CB ILE A 39 -0.469 -8.964 8.607 1.00 0.00 C ATOM 586 CG1 ILE A 39 -0.846 -7.758 9.493 1.00 0.00 C ATOM 587 CG2 ILE A 39 -0.640 -10.239 9.438 1.00 0.00 C ATOM 588 CD1 ILE A 39 -1.739 -6.794 8.707 1.00 0.00 C ATOM 0 H ILE A 39 0.452 -6.826 7.632 1.00 0.00 H new ATOM 0 HA ILE A 39 1.685 -9.024 8.933 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.117 -8.986 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.365 -8.101 10.388 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.056 -7.244 9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.670 -10.311 9.787 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.404 -11.108 8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.032 -10.207 10.296 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.002 -5.945 9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.205 -6.440 7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.648 -7.310 8.397 1.00 0.00 H new ATOM 600 N LYS A 40 1.238 -9.572 5.727 1.00 0.00 N ATOM 601 CA LYS A 40 1.511 -10.507 4.568 1.00 0.00 C ATOM 602 C LYS A 40 0.322 -11.456 4.248 1.00 0.00 C ATOM 603 O LYS A 40 0.391 -12.661 4.452 1.00 0.00 O ATOM 604 CB LYS A 40 2.822 -11.301 4.800 1.00 0.00 C ATOM 605 CG LYS A 40 3.983 -10.325 5.063 1.00 0.00 C ATOM 606 CD LYS A 40 5.234 -10.761 4.284 1.00 0.00 C ATOM 607 CE LYS A 40 6.019 -11.802 5.093 1.00 0.00 C ATOM 608 NZ LYS A 40 6.897 -11.109 6.090 1.00 0.00 N ATOM 0 H LYS A 40 1.039 -8.615 5.435 1.00 0.00 H new ATOM 0 HA LYS A 40 1.635 -9.879 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.704 -11.977 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.043 -11.918 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.694 -9.317 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.204 -10.291 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.945 -11.180 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.865 -9.896 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.330 -12.474 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.624 -12.415 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.428 -11.817 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.564 -10.486 5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.310 -10.543 6.735 1.00 0.00 H new ATOM 622 N LYS A 41 -0.754 -10.908 3.699 1.00 0.00 N ATOM 623 CA LYS A 41 -1.948 -11.745 3.280 1.00 0.00 C ATOM 624 C LYS A 41 -2.880 -10.967 2.314 1.00 0.00 C ATOM 625 O LYS A 41 -2.708 -9.789 2.072 1.00 0.00 O ATOM 626 CB LYS A 41 -2.766 -12.261 4.490 1.00 0.00 C ATOM 627 CG LYS A 41 -3.083 -11.151 5.511 1.00 0.00 C ATOM 628 CD LYS A 41 -2.027 -11.157 6.626 1.00 0.00 C ATOM 629 CE LYS A 41 -1.971 -12.535 7.301 1.00 0.00 C ATOM 630 NZ LYS A 41 -0.603 -13.124 7.115 1.00 0.00 N ATOM 0 H LYS A 41 -0.857 -9.909 3.522 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.538 -12.609 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.699 -12.698 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.211 -13.057 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.097 -10.180 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.075 -11.306 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.050 -10.908 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.265 -10.392 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.198 -12.442 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.725 -13.194 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.501 -13.963 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.476 -13.399 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.117 -12.419 7.375 1.00 0.00 H new ATOM 644 N GLY A 42 -3.886 -11.653 1.806 1.00 0.00 N ATOM 645 CA GLY A 42 -4.920 -11.058 0.870 1.00 0.00 C ATOM 646 C GLY A 42 -6.235 -11.675 1.323 1.00 0.00 C ATOM 647 O GLY A 42 -6.401 -12.881 1.257 1.00 0.00 O ATOM 0 H GLY A 42 -4.042 -12.641 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.944 -9.971 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.703 -11.302 -0.170 1.00 0.00 H new ATOM 651 N LEU A 43 -7.105 -10.884 1.908 1.00 0.00 N ATOM 652 CA LEU A 43 -8.346 -11.465 2.534 1.00 0.00 C ATOM 653 C LEU A 43 -9.326 -10.370 3.004 1.00 0.00 C ATOM 654 O LEU A 43 -10.515 -10.432 2.725 1.00 0.00 O ATOM 655 CB LEU A 43 -7.889 -12.320 3.767 1.00 0.00 C ATOM 656 CG LEU A 43 -7.138 -11.490 4.855 1.00 0.00 C ATOM 657 CD1 LEU A 43 -6.679 -12.414 5.953 1.00 0.00 C ATOM 658 CD2 LEU A 43 -5.885 -10.798 4.318 1.00 0.00 C ATOM 0 H LEU A 43 -7.015 -9.871 1.981 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.872 -12.068 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.763 -12.789 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.239 -13.124 3.421 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.841 -10.733 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.154 -11.840 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.543 -12.906 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.008 -13.166 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.407 -10.237 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.191 -11.547 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.162 -10.116 3.514 1.00 0.00 H new ATOM 670 N GLY A 44 -8.832 -9.376 3.720 1.00 0.00 N ATOM 671 CA GLY A 44 -9.684 -8.278 4.232 1.00 0.00 C ATOM 672 C GLY A 44 -9.323 -6.948 3.569 1.00 0.00 C ATOM 673 O GLY A 44 -9.517 -5.936 4.166 1.00 0.00 O ATOM 0 H GLY A 44 -7.846 -9.292 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.733 -8.509 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.565 -8.194 5.312 1.00 0.00 H new ATOM 677 N ILE A 45 -8.755 -7.028 2.366 1.00 0.00 N ATOM 678 CA ILE A 45 -8.214 -5.911 1.504 1.00 0.00 C ATOM 679 C ILE A 45 -6.726 -6.267 1.205 1.00 0.00 C ATOM 680 O ILE A 45 -6.160 -5.774 0.253 1.00 0.00 O ATOM 681 CB ILE A 45 -8.303 -4.444 2.062 1.00 0.00 C ATOM 682 CG1 ILE A 45 -7.526 -4.129 3.392 1.00 0.00 C ATOM 683 CG2 ILE A 45 -9.761 -4.033 2.264 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.072 -4.606 3.405 1.00 0.00 C ATOM 0 H ILE A 45 -8.639 -7.933 1.910 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.860 -5.870 0.627 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.801 -3.866 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.544 -3.052 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.055 -4.592 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.802 -3.015 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.288 -4.081 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.235 -4.710 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.613 -4.347 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.043 -5.687 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.524 -4.124 2.596 1.00 0.00 H new ATOM 696 N SER A 46 -6.118 -7.103 2.088 1.00 0.00 N ATOM 697 CA SER A 46 -4.683 -7.563 2.065 1.00 0.00 C ATOM 698 C SER A 46 -4.074 -7.092 3.397 1.00 0.00 C ATOM 699 O SER A 46 -3.359 -6.108 3.458 1.00 0.00 O ATOM 700 CB SER A 46 -3.854 -7.031 0.894 1.00 0.00 C ATOM 701 OG SER A 46 -4.271 -7.675 -0.310 1.00 0.00 O ATOM 0 H SER A 46 -6.630 -7.499 2.876 1.00 0.00 H new ATOM 0 HA SER A 46 -4.667 -8.645 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.980 -5.952 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.794 -7.215 1.070 1.00 0.00 H new ATOM 0 HG SER A 46 -5.121 -7.289 -0.610 1.00 0.00 H new ATOM 707 N TYR A 47 -4.427 -7.772 4.481 1.00 0.00 N ATOM 708 CA TYR A 47 -3.944 -7.392 5.855 1.00 0.00 C ATOM 709 C TYR A 47 -4.364 -8.450 6.932 1.00 0.00 C ATOM 710 O TYR A 47 -3.580 -8.783 7.792 1.00 0.00 O ATOM 711 CB TYR A 47 -4.488 -5.980 6.208 1.00 0.00 C ATOM 712 CG TYR A 47 -5.826 -6.049 6.915 1.00 0.00 C ATOM 713 CD1 TYR A 47 -7.013 -6.268 6.200 1.00 0.00 C ATOM 714 CD2 TYR A 47 -5.864 -5.906 8.301 1.00 0.00 C ATOM 715 CE1 TYR A 47 -8.231 -6.337 6.882 1.00 0.00 C ATOM 716 CE2 TYR A 47 -7.079 -5.967 8.977 1.00 0.00 C ATOM 717 CZ TYR A 47 -8.262 -6.180 8.275 1.00 0.00 C ATOM 718 OH TYR A 47 -9.458 -6.204 8.959 1.00 0.00 O ATOM 0 H TYR A 47 -5.040 -8.587 4.464 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.854 -7.370 5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.769 -5.462 6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.590 -5.392 5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.986 -6.383 5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.948 -5.748 8.852 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.147 -6.511 6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.104 -5.849 10.050 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.073 -6.828 8.520 1.00 0.00 H new ATOM 728 N GLY A 48 -5.592 -8.956 6.900 1.00 0.00 N ATOM 729 CA GLY A 48 -6.050 -9.955 7.919 1.00 0.00 C ATOM 730 C GLY A 48 -7.570 -9.827 8.145 1.00 0.00 C ATOM 731 O GLY A 48 -8.331 -9.715 7.204 1.00 0.00 O ATOM 0 H GLY A 48 -6.294 -8.711 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.809 -10.964 7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.521 -9.796 8.858 1.00 0.00 H new ATOM 735 N ARG A 49 -7.962 -9.841 9.407 1.00 0.00 N ATOM 736 CA ARG A 49 -9.407 -9.720 9.898 1.00 0.00 C ATOM 737 C ARG A 49 -10.486 -9.527 8.788 1.00 0.00 C ATOM 738 O ARG A 49 -10.783 -8.406 8.406 1.00 0.00 O ATOM 739 CB ARG A 49 -9.460 -8.507 10.838 1.00 0.00 C ATOM 740 CG ARG A 49 -9.318 -8.944 12.301 1.00 0.00 C ATOM 741 CD ARG A 49 -8.813 -7.762 13.130 1.00 0.00 C ATOM 742 NE ARG A 49 -9.188 -7.970 14.566 1.00 0.00 N ATOM 743 CZ ARG A 49 -8.300 -8.368 15.430 1.00 0.00 C ATOM 744 NH1 ARG A 49 -7.534 -7.498 16.017 1.00 0.00 N ATOM 745 NH2 ARG A 49 -8.183 -9.635 15.694 1.00 0.00 N ATOM 0 H ARG A 49 -7.297 -9.938 10.175 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.654 -10.668 10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.662 -7.809 10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.403 -7.977 10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.278 -9.290 12.685 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.624 -9.781 12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.731 -7.671 13.034 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.245 -6.832 12.760 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.147 -7.798 14.869 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.630 -6.506 15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.837 -7.807 16.695 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.785 -10.311 15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.489 -9.953 16.370 1.00 0.00 H new ATOM 759 N LYS A 50 -11.101 -10.601 8.297 1.00 0.00 N ATOM 760 CA LYS A 50 -12.189 -10.445 7.247 1.00 0.00 C ATOM 761 C LYS A 50 -12.801 -11.810 6.821 1.00 0.00 C ATOM 762 O LYS A 50 -12.985 -12.080 5.636 1.00 0.00 O ATOM 763 CB LYS A 50 -11.618 -9.702 6.021 1.00 0.00 C ATOM 764 CG LYS A 50 -12.454 -8.438 5.746 1.00 0.00 C ATOM 765 CD LYS A 50 -13.727 -8.807 4.964 1.00 0.00 C ATOM 766 CE LYS A 50 -13.391 -9.063 3.483 1.00 0.00 C ATOM 767 NZ LYS A 50 -13.424 -10.538 3.186 1.00 0.00 N ATOM 0 H LYS A 50 -10.900 -11.562 8.573 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.998 -9.862 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.578 -9.430 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.631 -10.356 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.722 -7.958 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.864 -7.719 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.184 -9.696 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.457 -8.002 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.105 -8.541 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.404 -8.661 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.575 -10.803 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.448 -11.071 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.272 -10.761 2.627 1.00 0.00 H new ATOM 781 N LYS A 51 -13.165 -12.647 7.776 1.00 0.00 N ATOM 782 CA LYS A 51 -13.805 -13.979 7.447 1.00 0.00 C ATOM 783 C LYS A 51 -15.351 -13.808 7.394 1.00 0.00 C ATOM 784 O LYS A 51 -16.089 -14.341 8.213 1.00 0.00 O ATOM 785 CB LYS A 51 -13.381 -15.046 8.491 1.00 0.00 C ATOM 786 CG LYS A 51 -13.720 -14.594 9.931 1.00 0.00 C ATOM 787 CD LYS A 51 -14.647 -15.621 10.605 1.00 0.00 C ATOM 788 CE LYS A 51 -13.832 -16.556 11.504 1.00 0.00 C ATOM 789 NZ LYS A 51 -14.713 -17.655 12.010 1.00 0.00 N ATOM 0 H LYS A 51 -13.047 -12.466 8.773 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.466 -14.324 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.885 -15.988 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.310 -15.232 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.804 -14.484 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.202 -13.617 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.405 -15.106 11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.173 -16.201 9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.994 -16.975 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.411 -15.998 12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.160 -18.290 12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.498 -17.247 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.094 -18.193 11.205 1.00 0.00 H new ATOM 803 N ARG A 52 -15.837 -13.046 6.429 1.00 0.00 N ATOM 804 CA ARG A 52 -17.316 -12.799 6.303 1.00 0.00 C ATOM 805 C ARG A 52 -17.922 -13.653 5.171 1.00 0.00 C ATOM 806 O ARG A 52 -17.702 -13.394 3.994 1.00 0.00 O ATOM 807 CB ARG A 52 -17.558 -11.306 6.012 1.00 0.00 C ATOM 808 CG ARG A 52 -17.799 -10.545 7.325 1.00 0.00 C ATOM 809 CD ARG A 52 -19.281 -10.641 7.725 1.00 0.00 C ATOM 810 NE ARG A 52 -20.051 -9.534 7.067 1.00 0.00 N ATOM 811 CZ ARG A 52 -20.811 -8.747 7.769 1.00 0.00 C ATOM 812 NH1 ARG A 52 -22.039 -9.082 8.015 1.00 0.00 N ATOM 813 NH2 ARG A 52 -20.333 -7.624 8.213 1.00 0.00 N ATOM 0 H ARG A 52 -15.267 -12.584 5.721 1.00 0.00 H new ATOM 0 HA ARG A 52 -17.799 -13.079 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.698 -10.885 5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.418 -11.191 5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.173 -10.960 8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.513 -9.500 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.687 -11.608 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -19.381 -10.574 8.808 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.977 -9.398 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -22.409 -9.963 7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -22.635 -8.465 8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.368 -7.365 8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.923 -7.001 8.765 1.00 0.00 H new ATOM 827 N ARG A 53 -18.708 -14.651 5.528 1.00 0.00 N ATOM 828 CA ARG A 53 -19.372 -15.523 4.501 1.00 0.00 C ATOM 829 C ARG A 53 -20.802 -14.980 4.258 1.00 0.00 C ATOM 830 O ARG A 53 -21.789 -15.535 4.716 1.00 0.00 O ATOM 831 CB ARG A 53 -19.395 -16.980 5.012 1.00 0.00 C ATOM 832 CG ARG A 53 -19.726 -17.948 3.864 1.00 0.00 C ATOM 833 CD ARG A 53 -18.586 -17.956 2.833 1.00 0.00 C ATOM 834 NE ARG A 53 -19.134 -17.662 1.464 1.00 0.00 N ATOM 835 CZ ARG A 53 -19.598 -16.479 1.165 1.00 0.00 C ATOM 836 NH1 ARG A 53 -18.780 -15.522 0.844 1.00 0.00 N ATOM 837 NH2 ARG A 53 -20.876 -16.266 1.190 1.00 0.00 N ATOM 0 H ARG A 53 -18.918 -14.898 6.495 1.00 0.00 H new ATOM 0 HA ARG A 53 -18.826 -15.509 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -18.427 -17.236 5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -20.135 -17.082 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -19.877 -18.953 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -20.658 -17.650 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.836 -17.212 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.089 -18.926 2.835 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.143 -18.398 0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.775 -15.695 0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.143 -14.598 0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -21.514 -17.021 1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.244 -15.344 0.957 1.00 0.00 H new ATOM 851 N GLN A 54 -20.899 -13.862 3.560 1.00 0.00 N ATOM 852 CA GLN A 54 -22.237 -13.213 3.291 1.00 0.00 C ATOM 853 C GLN A 54 -22.395 -12.946 1.768 1.00 0.00 C ATOM 854 O GLN A 54 -21.771 -13.621 0.958 1.00 0.00 O ATOM 855 CB GLN A 54 -22.306 -11.882 4.087 1.00 0.00 C ATOM 856 CG GLN A 54 -21.940 -12.101 5.570 1.00 0.00 C ATOM 857 CD GLN A 54 -23.205 -12.275 6.413 1.00 0.00 C ATOM 858 OE1 GLN A 54 -23.614 -11.357 7.090 1.00 0.00 O ATOM 859 NE2 GLN A 54 -23.836 -13.412 6.413 1.00 0.00 N ATOM 0 H GLN A 54 -20.101 -13.367 3.162 1.00 0.00 H new ATOM 0 HA GLN A 54 -23.047 -13.870 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -21.625 -11.155 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -23.310 -11.463 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.306 -12.982 5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.364 -11.252 5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -23.493 -14.186 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -24.674 -13.530 6.982 1.00 0.00 H new ATOM 868 N ARG A 55 -23.213 -11.973 1.371 1.00 0.00 N ATOM 869 CA ARG A 55 -23.401 -11.653 -0.093 1.00 0.00 C ATOM 870 C ARG A 55 -22.167 -10.857 -0.602 1.00 0.00 C ATOM 871 O ARG A 55 -22.230 -9.658 -0.843 1.00 0.00 O ATOM 872 CB ARG A 55 -24.703 -10.837 -0.267 1.00 0.00 C ATOM 873 CG ARG A 55 -25.250 -10.999 -1.696 1.00 0.00 C ATOM 874 CD ARG A 55 -26.544 -11.825 -1.667 1.00 0.00 C ATOM 875 NE ARG A 55 -27.452 -11.378 -2.775 1.00 0.00 N ATOM 876 CZ ARG A 55 -28.445 -10.578 -2.535 1.00 0.00 C ATOM 877 NH1 ARG A 55 -29.587 -11.064 -2.162 1.00 0.00 N ATOM 878 NH2 ARG A 55 -28.292 -9.300 -2.678 1.00 0.00 N ATOM 0 H ARG A 55 -23.757 -11.389 2.006 1.00 0.00 H new ATOM 0 HA ARG A 55 -23.486 -12.569 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -25.448 -11.171 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -24.510 -9.784 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -25.442 -10.020 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -24.508 -11.490 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -26.313 -12.885 -1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -27.042 -11.706 -0.705 1.00 0.00 H new ATOM 0 HE ARG A 55 -27.287 -11.706 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -29.703 -12.072 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -30.370 -10.438 -1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -27.393 -8.925 -2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -29.071 -8.669 -2.490 1.00 0.00 H new ATOM 892 N ARG A 56 -21.039 -11.535 -0.741 1.00 0.00 N ATOM 893 CA ARG A 56 -19.768 -10.878 -1.209 1.00 0.00 C ATOM 894 C ARG A 56 -18.791 -11.940 -1.766 1.00 0.00 C ATOM 895 O ARG A 56 -18.823 -13.099 -1.362 1.00 0.00 O ATOM 896 CB ARG A 56 -19.107 -10.145 -0.024 1.00 0.00 C ATOM 897 CG ARG A 56 -18.808 -8.687 -0.411 1.00 0.00 C ATOM 898 CD ARG A 56 -19.690 -7.736 0.412 1.00 0.00 C ATOM 899 NE ARG A 56 -20.433 -6.812 -0.509 1.00 0.00 N ATOM 900 CZ ARG A 56 -21.556 -6.281 -0.136 1.00 0.00 C ATOM 901 NH1 ARG A 56 -22.650 -6.972 -0.219 1.00 0.00 N ATOM 902 NH2 ARG A 56 -21.574 -5.065 0.315 1.00 0.00 N ATOM 0 H ARG A 56 -20.948 -12.532 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 56 -20.005 -10.166 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -19.765 -10.172 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -18.184 -10.652 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -17.756 -8.464 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -18.993 -8.539 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.395 -8.308 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -19.074 -7.159 1.103 1.00 0.00 H new ATOM 0 HE ARG A 56 -20.053 -6.601 -1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -22.624 -7.927 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -23.537 -6.560 0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.707 -4.530 0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -22.455 -4.643 0.609 1.00 0.00 H new ATOM 916 N ARG A 57 -17.923 -11.544 -2.680 1.00 0.00 N ATOM 917 CA ARG A 57 -16.929 -12.497 -3.284 1.00 0.00 C ATOM 918 C ARG A 57 -15.586 -11.780 -3.598 1.00 0.00 C ATOM 919 O ARG A 57 -15.574 -10.581 -3.840 1.00 0.00 O ATOM 920 CB ARG A 57 -17.510 -13.102 -4.582 1.00 0.00 C ATOM 921 CG ARG A 57 -17.901 -11.990 -5.572 1.00 0.00 C ATOM 922 CD ARG A 57 -17.985 -12.560 -6.989 1.00 0.00 C ATOM 923 NE ARG A 57 -17.883 -11.437 -7.975 1.00 0.00 N ATOM 924 CZ ARG A 57 -18.787 -11.280 -8.893 1.00 0.00 C ATOM 925 NH1 ARG A 57 -18.674 -11.913 -10.020 1.00 0.00 N ATOM 926 NH2 ARG A 57 -19.792 -10.489 -8.679 1.00 0.00 N ATOM 0 H ARG A 57 -17.863 -10.590 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.734 -13.290 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.776 -13.763 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.383 -13.710 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.860 -11.558 -5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.166 -11.185 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -17.182 -13.279 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.925 -13.095 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.096 -10.790 -7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.878 -12.530 -10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.381 -11.794 -10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.870 -9.993 -7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.504 -10.363 -9.398 1.00 0.00 H new ATOM 940 N PRO A 58 -14.493 -12.542 -3.608 1.00 0.00 N ATOM 941 CA PRO A 58 -13.145 -12.005 -3.914 1.00 0.00 C ATOM 942 C PRO A 58 -12.974 -11.839 -5.445 1.00 0.00 C ATOM 943 O PRO A 58 -12.796 -12.811 -6.166 1.00 0.00 O ATOM 944 CB PRO A 58 -12.197 -13.078 -3.357 1.00 0.00 C ATOM 945 CG PRO A 58 -13.009 -14.393 -3.295 1.00 0.00 C ATOM 946 CD PRO A 58 -14.497 -13.999 -3.314 1.00 0.00 C ATOM 0 HA PRO A 58 -12.958 -11.022 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.322 -13.192 -3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.834 -12.799 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.769 -15.036 -4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.769 -14.953 -2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -15.045 -14.556 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -14.976 -14.210 -2.358 1.00 0.00 H new ATOM 954 N SER A 59 -13.046 -10.615 -5.943 1.00 0.00 N ATOM 955 CA SER A 59 -12.902 -10.375 -7.419 1.00 0.00 C ATOM 956 C SER A 59 -11.523 -9.750 -7.730 1.00 0.00 C ATOM 957 O SER A 59 -10.619 -10.451 -8.151 1.00 0.00 O ATOM 958 CB SER A 59 -14.048 -9.473 -7.926 1.00 0.00 C ATOM 959 OG SER A 59 -14.147 -8.301 -7.114 1.00 0.00 O ATOM 0 H SER A 59 -13.199 -9.774 -5.386 1.00 0.00 H new ATOM 0 HA SER A 59 -12.964 -11.330 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.868 -9.192 -8.964 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.990 -10.021 -7.903 1.00 0.00 H new ATOM 0 HG SER A 59 -14.875 -7.735 -7.444 1.00 0.00 H new ATOM 965 N GLN A 60 -11.353 -8.448 -7.529 1.00 0.00 N ATOM 966 CA GLN A 60 -10.031 -7.774 -7.815 1.00 0.00 C ATOM 967 C GLN A 60 -10.042 -6.318 -7.301 1.00 0.00 C ATOM 968 O GLN A 60 -11.067 -5.656 -7.307 1.00 0.00 O ATOM 969 CB GLN A 60 -9.761 -7.775 -9.335 1.00 0.00 C ATOM 970 CG GLN A 60 -8.329 -8.273 -9.610 1.00 0.00 C ATOM 971 CD GLN A 60 -7.560 -7.238 -10.440 1.00 0.00 C ATOM 972 OE1 GLN A 60 -7.367 -7.418 -11.620 1.00 0.00 O ATOM 973 NE2 GLN A 60 -7.104 -6.156 -9.878 1.00 0.00 N ATOM 0 H GLN A 60 -12.079 -7.824 -7.177 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.244 -8.326 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.482 -8.416 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.890 -6.770 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.811 -8.452 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.362 -9.224 -10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.261 -5.993 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.590 -5.471 -10.432 1.00 0.00 H new ATOM 982 N GLY A 61 -8.897 -5.827 -6.866 1.00 0.00 N ATOM 983 CA GLY A 61 -8.798 -4.414 -6.347 1.00 0.00 C ATOM 984 C GLY A 61 -7.450 -4.193 -5.640 1.00 0.00 C ATOM 985 O GLY A 61 -6.839 -5.130 -5.153 1.00 0.00 O ATOM 0 H GLY A 61 -8.020 -6.348 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.903 -3.709 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.616 -4.217 -5.654 1.00 0.00 H new ATOM 989 N GLY A 62 -6.983 -2.958 -5.583 1.00 0.00 N ATOM 990 CA GLY A 62 -5.650 -2.666 -4.905 1.00 0.00 C ATOM 991 C GLY A 62 -5.854 -2.220 -3.451 1.00 0.00 C ATOM 992 O GLY A 62 -5.232 -1.260 -3.026 1.00 0.00 O ATOM 0 H GLY A 62 -7.457 -2.142 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.023 -3.557 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.121 -1.888 -5.456 1.00 0.00 H new ATOM 996 N GLN A 63 -6.769 -2.859 -2.705 1.00 0.00 N ATOM 997 CA GLN A 63 -7.095 -2.425 -1.291 1.00 0.00 C ATOM 998 C GLN A 63 -7.526 -0.941 -1.331 1.00 0.00 C ATOM 999 O GLN A 63 -7.347 -0.218 -0.383 1.00 0.00 O ATOM 1000 CB GLN A 63 -5.843 -2.600 -0.396 1.00 0.00 C ATOM 1001 CG GLN A 63 -6.166 -2.278 1.085 1.00 0.00 C ATOM 1002 CD GLN A 63 -5.558 -0.937 1.532 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -4.564 -0.501 1.006 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -6.121 -0.264 2.490 1.00 0.00 N ATOM 0 H GLN A 63 -7.301 -3.667 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.901 -3.032 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.474 -3.623 -0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.046 -1.945 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.247 -2.249 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.786 -3.078 1.721 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.962 -0.625 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.722 0.625 2.791 1.00 0.00 H new ATOM 1013 N THR A 64 -8.013 -0.476 -2.483 1.00 0.00 N ATOM 1014 CA THR A 64 -8.384 0.962 -2.722 1.00 0.00 C ATOM 1015 C THR A 64 -7.202 1.956 -2.459 1.00 0.00 C ATOM 1016 O THR A 64 -7.330 3.119 -2.778 1.00 0.00 O ATOM 1017 CB THR A 64 -9.697 1.335 -1.997 1.00 0.00 C ATOM 1018 OG1 THR A 64 -10.097 2.642 -2.372 1.00 0.00 O ATOM 1019 CG2 THR A 64 -9.544 1.273 -0.489 1.00 0.00 C ATOM 0 H THR A 64 -8.170 -1.073 -3.295 1.00 0.00 H new ATOM 0 HA THR A 64 -8.587 1.069 -3.788 1.00 0.00 H new ATOM 0 HB THR A 64 -10.455 0.609 -2.292 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.323 3.135 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.489 1.542 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.265 0.262 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.768 1.971 -0.173 1.00 0.00 H new ATOM 1027 N HIS A 65 -6.034 1.509 -1.928 1.00 0.00 N ATOM 1028 CA HIS A 65 -4.853 2.399 -1.689 1.00 0.00 C ATOM 1029 C HIS A 65 -5.351 3.667 -0.904 1.00 0.00 C ATOM 1030 O HIS A 65 -4.866 4.775 -1.058 1.00 0.00 O ATOM 1031 CB HIS A 65 -4.284 2.619 -3.128 1.00 0.00 C ATOM 1032 CG HIS A 65 -3.510 3.891 -3.301 1.00 0.00 C ATOM 1033 ND1 HIS A 65 -2.153 3.982 -3.057 1.00 0.00 N ATOM 1034 CD2 HIS A 65 -3.902 5.124 -3.738 1.00 0.00 C ATOM 1035 CE1 HIS A 65 -1.775 5.241 -3.351 1.00 0.00 C ATOM 1036 NE2 HIS A 65 -2.805 5.981 -3.773 1.00 0.00 N ATOM 0 H HIS A 65 -5.879 0.538 -1.655 1.00 0.00 H new ATOM 0 HA HIS A 65 -4.050 2.016 -1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.639 1.778 -3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.111 2.612 -3.837 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.549 3.234 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.911 5.394 -4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.763 5.608 -3.257 1.00 0.00 H new ATOM 1044 N GLN A 66 -6.399 3.468 -0.089 1.00 0.00 N ATOM 1045 CA GLN A 66 -7.077 4.573 0.662 1.00 0.00 C ATOM 1046 C GLN A 66 -8.283 3.926 1.410 1.00 0.00 C ATOM 1047 O GLN A 66 -9.279 3.624 0.794 1.00 0.00 O ATOM 1048 CB GLN A 66 -7.515 5.577 -0.453 1.00 0.00 C ATOM 1049 CG GLN A 66 -8.976 6.077 -0.345 1.00 0.00 C ATOM 1050 CD GLN A 66 -9.268 6.713 1.033 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -8.470 7.458 1.563 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -10.381 6.434 1.641 1.00 0.00 N ATOM 0 H GLN A 66 -6.809 2.549 0.077 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.469 5.089 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.849 6.439 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.381 5.100 -1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.168 6.808 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.658 5.243 -0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.058 5.809 1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.578 6.840 2.556 1.00 0.00 H new ATOM 1061 N ASP A 67 -8.196 3.630 2.699 1.00 0.00 N ATOM 1062 CA ASP A 67 -9.351 2.910 3.330 1.00 0.00 C ATOM 1063 C ASP A 67 -9.697 3.305 4.809 1.00 0.00 C ATOM 1064 O ASP A 67 -10.755 3.823 5.009 1.00 0.00 O ATOM 1065 CB ASP A 67 -9.033 1.405 3.196 1.00 0.00 C ATOM 1066 CG ASP A 67 -10.302 0.553 3.120 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -11.134 0.678 3.995 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -10.404 -0.227 2.192 1.00 0.00 O ATOM 0 H ASP A 67 -7.410 3.847 3.312 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.261 3.203 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.432 1.240 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.432 1.085 4.047 1.00 0.00 H new ATOM 1073 N PRO A 68 -8.860 3.009 5.808 1.00 0.00 N ATOM 1074 CA PRO A 68 -9.176 3.251 7.278 1.00 0.00 C ATOM 1075 C PRO A 68 -9.626 4.691 7.733 1.00 0.00 C ATOM 1076 O PRO A 68 -9.168 5.206 8.734 1.00 0.00 O ATOM 1077 CB PRO A 68 -7.889 2.795 7.972 1.00 0.00 C ATOM 1078 CG PRO A 68 -6.805 2.823 6.901 1.00 0.00 C ATOM 1079 CD PRO A 68 -7.503 2.464 5.606 1.00 0.00 C ATOM 0 HA PRO A 68 -10.083 2.707 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.637 3.457 8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.003 1.793 8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.342 3.808 6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.011 2.112 7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.011 2.912 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.520 1.387 5.440 1.00 0.00 H new ATOM 1087 N ILE A 69 -10.539 5.317 7.037 1.00 0.00 N ATOM 1088 CA ILE A 69 -11.060 6.678 7.444 1.00 0.00 C ATOM 1089 C ILE A 69 -12.487 6.510 8.089 1.00 0.00 C ATOM 1090 O ILE A 69 -13.070 5.441 7.998 1.00 0.00 O ATOM 1091 CB ILE A 69 -11.141 7.607 6.205 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -12.312 7.198 5.323 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -9.860 7.569 5.364 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -13.279 8.374 5.268 1.00 0.00 C ATOM 0 H ILE A 69 -10.960 4.944 6.186 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.383 7.127 8.170 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.276 8.622 6.579 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -11.966 6.940 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.806 6.315 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.967 8.236 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.015 7.892 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.686 6.552 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -14.133 8.114 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.625 8.608 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.772 9.243 4.848 1.00 0.00 H new ATOM 1106 N PRO A 70 -13.037 7.566 8.697 1.00 0.00 N ATOM 1107 CA PRO A 70 -14.396 7.509 9.312 1.00 0.00 C ATOM 1108 C PRO A 70 -15.505 7.615 8.226 1.00 0.00 C ATOM 1109 O PRO A 70 -15.396 8.411 7.313 1.00 0.00 O ATOM 1110 CB PRO A 70 -14.412 8.720 10.254 1.00 0.00 C ATOM 1111 CG PRO A 70 -13.340 9.703 9.725 1.00 0.00 C ATOM 1112 CD PRO A 70 -12.379 8.887 8.838 1.00 0.00 C ATOM 0 HA PRO A 70 -14.592 6.571 9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.396 9.189 10.266 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.190 8.418 11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -13.803 10.508 9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.802 10.168 10.551 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.233 9.363 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.396 8.794 9.299 1.00 0.00 H new ATOM 1120 N LYS A 71 -16.565 6.805 8.341 1.00 0.00 N ATOM 1121 CA LYS A 71 -17.722 6.785 7.347 1.00 0.00 C ATOM 1122 C LYS A 71 -17.288 6.076 6.037 1.00 0.00 C ATOM 1123 O LYS A 71 -16.103 5.921 5.777 1.00 0.00 O ATOM 1124 CB LYS A 71 -18.239 8.203 7.028 1.00 0.00 C ATOM 1125 CG LYS A 71 -18.997 8.799 8.234 1.00 0.00 C ATOM 1126 CD LYS A 71 -18.046 9.599 9.146 1.00 0.00 C ATOM 1127 CE LYS A 71 -17.444 10.792 8.387 1.00 0.00 C ATOM 1128 NZ LYS A 71 -16.827 11.746 9.361 1.00 0.00 N ATOM 0 H LYS A 71 -16.675 6.140 9.106 1.00 0.00 H new ATOM 0 HA LYS A 71 -18.539 6.233 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.401 8.849 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.898 8.167 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.798 9.448 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -19.465 7.998 8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.588 9.955 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.248 8.950 9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.693 10.444 7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.218 11.296 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.420 12.553 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.555 12.088 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.077 11.261 9.894 1.00 0.00 H new ATOM 1142 N GLN A 72 -18.239 5.621 5.216 1.00 0.00 N ATOM 1143 CA GLN A 72 -17.848 4.900 3.945 1.00 0.00 C ATOM 1144 C GLN A 72 -18.575 5.412 2.646 1.00 0.00 C ATOM 1145 O GLN A 72 -19.068 4.604 1.869 1.00 0.00 O ATOM 1146 CB GLN A 72 -18.113 3.390 4.140 1.00 0.00 C ATOM 1147 CG GLN A 72 -17.243 2.832 5.279 1.00 0.00 C ATOM 1148 CD GLN A 72 -17.669 1.401 5.615 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -18.606 1.192 6.352 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -17.015 0.397 5.110 1.00 0.00 N ATOM 0 H GLN A 72 -19.242 5.718 5.372 1.00 0.00 H new ATOM 0 HA GLN A 72 -16.791 5.108 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -19.167 3.226 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -17.898 2.855 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -16.193 2.848 4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -17.337 3.464 6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -16.224 0.565 4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -17.293 -0.558 5.336 1.00 0.00 H new ATOM 1159 N PRO A 73 -18.570 6.726 2.385 1.00 0.00 N ATOM 1160 CA PRO A 73 -19.158 7.298 1.139 1.00 0.00 C ATOM 1161 C PRO A 73 -18.012 7.318 0.090 1.00 0.00 C ATOM 1162 O PRO A 73 -17.397 8.347 -0.126 1.00 0.00 O ATOM 1163 CB PRO A 73 -19.550 8.722 1.572 1.00 0.00 C ATOM 1164 CG PRO A 73 -18.640 9.078 2.780 1.00 0.00 C ATOM 1165 CD PRO A 73 -18.016 7.762 3.285 1.00 0.00 C ATOM 0 HA PRO A 73 -20.006 6.762 0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.406 9.430 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.603 8.767 1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.863 9.782 2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.219 9.557 3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -16.928 7.793 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -18.281 7.569 4.325 1.00 0.00 H new ATOM 1173 N SER A 74 -17.644 6.142 -0.442 1.00 0.00 N ATOM 1174 CA SER A 74 -16.433 5.976 -1.370 1.00 0.00 C ATOM 1175 C SER A 74 -15.226 5.670 -0.444 1.00 0.00 C ATOM 1176 O SER A 74 -14.445 4.779 -0.704 1.00 0.00 O ATOM 1177 CB SER A 74 -16.138 7.226 -2.236 1.00 0.00 C ATOM 1178 OG SER A 74 -15.148 6.918 -3.214 1.00 0.00 O ATOM 0 H SER A 74 -18.145 5.271 -0.266 1.00 0.00 H new ATOM 0 HA SER A 74 -16.632 5.177 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.052 7.564 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.794 8.044 -1.603 1.00 0.00 H new ATOM 0 HG SER A 74 -14.627 7.723 -3.417 1.00 0.00 H new ATOM 1184 N SER A 75 -15.109 6.399 0.661 1.00 0.00 N ATOM 1185 CA SER A 75 -14.015 6.205 1.666 1.00 0.00 C ATOM 1186 C SER A 75 -14.196 4.880 2.428 1.00 0.00 C ATOM 1187 O SER A 75 -15.241 4.257 2.343 1.00 0.00 O ATOM 1188 CB SER A 75 -14.041 7.353 2.680 1.00 0.00 C ATOM 1189 OG SER A 75 -14.928 8.402 2.273 1.00 0.00 O ATOM 0 H SER A 75 -15.759 7.146 0.905 1.00 0.00 H new ATOM 0 HA SER A 75 -13.065 6.185 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.351 6.972 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.035 7.754 2.801 1.00 0.00 H new ATOM 0 HG SER A 75 -14.694 8.696 1.368 1.00 0.00 H new ATOM 1195 N GLN A 76 -13.156 4.448 3.155 1.00 0.00 N ATOM 1196 CA GLN A 76 -13.175 3.138 3.922 1.00 0.00 C ATOM 1197 C GLN A 76 -13.963 2.037 3.143 1.00 0.00 C ATOM 1198 O GLN A 76 -14.919 1.468 3.651 1.00 0.00 O ATOM 1199 CB GLN A 76 -13.734 3.370 5.351 1.00 0.00 C ATOM 1200 CG GLN A 76 -13.754 2.038 6.153 1.00 0.00 C ATOM 1201 CD GLN A 76 -12.566 1.931 7.122 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -11.779 1.016 7.021 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -12.412 2.798 8.077 1.00 0.00 N ATOM 0 H GLN A 76 -12.282 4.965 3.245 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.154 2.770 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.121 4.106 5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.742 3.780 5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.686 1.966 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.733 1.197 5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.068 3.573 8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.635 2.704 8.731 1.00 0.00 H new ATOM 1212 N PRO A 77 -13.557 1.774 1.906 1.00 0.00 N ATOM 1213 CA PRO A 77 -14.226 0.777 1.071 1.00 0.00 C ATOM 1214 C PRO A 77 -13.562 -0.594 1.338 1.00 0.00 C ATOM 1215 O PRO A 77 -13.227 -0.893 2.466 1.00 0.00 O ATOM 1216 CB PRO A 77 -13.963 1.313 -0.341 1.00 0.00 C ATOM 1217 CG PRO A 77 -12.698 2.180 -0.265 1.00 0.00 C ATOM 1218 CD PRO A 77 -12.418 2.423 1.214 1.00 0.00 C ATOM 0 HA PRO A 77 -15.291 0.631 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -13.826 0.493 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -14.811 1.899 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.856 1.677 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -12.844 3.124 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.466 1.987 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -12.367 3.488 1.441 1.00 0.00 H new ATOM 1226 N ARG A 78 -13.406 -1.441 0.341 1.00 0.00 N ATOM 1227 CA ARG A 78 -12.793 -2.776 0.556 1.00 0.00 C ATOM 1228 C ARG A 78 -12.419 -3.424 -0.813 1.00 0.00 C ATOM 1229 O ARG A 78 -12.667 -4.600 -1.032 1.00 0.00 O ATOM 1230 CB ARG A 78 -13.857 -3.600 1.289 1.00 0.00 C ATOM 1231 CG ARG A 78 -13.230 -4.510 2.365 1.00 0.00 C ATOM 1232 CD ARG A 78 -12.633 -3.664 3.512 1.00 0.00 C ATOM 1233 NE ARG A 78 -13.719 -3.096 4.378 1.00 0.00 N ATOM 1234 CZ ARG A 78 -13.410 -2.314 5.373 1.00 0.00 C ATOM 1235 NH1 ARG A 78 -12.916 -1.143 5.144 1.00 0.00 N ATOM 1236 NH2 ARG A 78 -13.586 -2.715 6.587 1.00 0.00 N ATOM 0 H ARG A 78 -13.685 -1.251 -0.622 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.871 -2.719 1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.580 -2.930 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.405 -4.210 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.986 -5.188 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.451 -5.128 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.966 -4.280 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.032 -2.855 3.098 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.696 -3.321 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.768 -0.831 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.674 -0.530 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.967 -3.644 6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.344 -2.103 7.366 1.00 0.00 H new ATOM 1250 N GLY A 79 -11.833 -2.663 -1.747 1.00 0.00 N ATOM 1251 CA GLY A 79 -11.476 -3.259 -3.093 1.00 0.00 C ATOM 1252 C GLY A 79 -10.418 -2.433 -3.856 1.00 0.00 C ATOM 1253 O GLY A 79 -9.247 -2.672 -3.710 1.00 0.00 O ATOM 0 H GLY A 79 -11.595 -1.678 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.102 -4.273 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.377 -3.335 -3.701 1.00 0.00 H new ATOM 1257 N ASP A 80 -10.838 -1.508 -4.701 1.00 0.00 N ATOM 1258 CA ASP A 80 -9.881 -0.679 -5.543 1.00 0.00 C ATOM 1259 C ASP A 80 -10.259 0.831 -5.444 1.00 0.00 C ATOM 1260 O ASP A 80 -11.413 1.134 -5.174 1.00 0.00 O ATOM 1261 CB ASP A 80 -10.059 -1.190 -6.998 1.00 0.00 C ATOM 1262 CG ASP A 80 -8.853 -0.865 -7.888 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.801 -1.415 -7.654 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -9.001 -0.073 -8.791 1.00 0.00 O ATOM 0 H ASP A 80 -11.822 -1.285 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.848 -0.777 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.215 -2.269 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.955 -0.744 -7.429 1.00 0.00 H new ATOM 1269 N PRO A 81 -9.297 1.754 -5.676 1.00 0.00 N ATOM 1270 CA PRO A 81 -9.579 3.211 -5.626 1.00 0.00 C ATOM 1271 C PRO A 81 -10.382 3.555 -6.882 1.00 0.00 C ATOM 1272 O PRO A 81 -9.831 3.870 -7.926 1.00 0.00 O ATOM 1273 CB PRO A 81 -8.192 3.867 -5.598 1.00 0.00 C ATOM 1274 CG PRO A 81 -7.205 2.823 -6.166 1.00 0.00 C ATOM 1275 CD PRO A 81 -7.879 1.445 -6.019 1.00 0.00 C ATOM 0 HA PRO A 81 -10.162 3.548 -4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.181 4.778 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.916 4.150 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.980 3.033 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.260 2.850 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.811 0.870 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.403 0.852 -5.238 1.00 0.00 H new ATOM 1283 N THR A 82 -11.698 3.429 -6.784 1.00 0.00 N ATOM 1284 CA THR A 82 -12.598 3.651 -8.008 1.00 0.00 C ATOM 1285 C THR A 82 -14.112 3.383 -7.678 1.00 0.00 C ATOM 1286 O THR A 82 -14.626 2.316 -7.974 1.00 0.00 O ATOM 1287 CB THR A 82 -12.095 2.666 -9.135 1.00 0.00 C ATOM 1288 OG1 THR A 82 -13.112 2.425 -10.103 1.00 0.00 O ATOM 1289 CG2 THR A 82 -11.625 1.314 -8.518 1.00 0.00 C ATOM 0 H THR A 82 -12.193 3.186 -5.926 1.00 0.00 H new ATOM 0 HA THR A 82 -12.534 4.690 -8.332 1.00 0.00 H new ATOM 0 HB THR A 82 -11.250 3.143 -9.632 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.876 1.987 -9.673 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.283 0.651 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.807 1.497 -7.821 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.456 0.847 -7.989 1.00 0.00 H new ATOM 1297 N GLY A 83 -14.825 4.331 -7.043 1.00 0.00 N ATOM 1298 CA GLY A 83 -16.271 4.122 -6.644 1.00 0.00 C ATOM 1299 C GLY A 83 -16.265 4.073 -5.106 1.00 0.00 C ATOM 1300 O GLY A 83 -16.673 5.015 -4.469 1.00 0.00 O ATOM 0 H GLY A 83 -14.450 5.245 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.901 4.933 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -16.666 3.197 -7.065 1.00 0.00 H new ATOM 1304 N PRO A 84 -15.665 3.011 -4.575 1.00 0.00 N ATOM 1305 CA PRO A 84 -15.393 2.812 -3.147 1.00 0.00 C ATOM 1306 C PRO A 84 -13.894 3.205 -3.151 1.00 0.00 C ATOM 1307 O PRO A 84 -13.001 2.367 -3.180 1.00 0.00 O ATOM 1308 CB PRO A 84 -15.653 1.294 -2.995 1.00 0.00 C ATOM 1309 CG PRO A 84 -15.457 0.673 -4.407 1.00 0.00 C ATOM 1310 CD PRO A 84 -15.207 1.852 -5.352 1.00 0.00 C ATOM 0 HA PRO A 84 -15.940 3.339 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.963 0.852 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.661 1.108 -2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.616 -0.020 -4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.338 0.108 -4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.154 1.937 -5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.764 1.746 -6.283 1.00 0.00 H new ATOM 1318 N LYS A 85 -13.668 4.479 -3.398 1.00 0.00 N ATOM 1319 CA LYS A 85 -12.311 4.983 -3.724 1.00 0.00 C ATOM 1320 C LYS A 85 -11.651 5.944 -2.737 1.00 0.00 C ATOM 1321 O LYS A 85 -10.448 5.881 -2.623 1.00 0.00 O ATOM 1322 CB LYS A 85 -12.550 5.697 -5.046 1.00 0.00 C ATOM 1323 CG LYS A 85 -11.280 6.210 -5.709 1.00 0.00 C ATOM 1324 CD LYS A 85 -11.424 7.701 -6.037 1.00 0.00 C ATOM 1325 CE LYS A 85 -12.779 7.962 -6.727 1.00 0.00 C ATOM 1326 NZ LYS A 85 -12.824 9.364 -7.236 1.00 0.00 N ATOM 0 H LYS A 85 -14.391 5.198 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.609 4.150 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.055 5.015 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.225 6.536 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.427 6.056 -5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.083 5.646 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.352 8.291 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.609 8.019 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.919 7.262 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.594 7.794 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.773 9.568 -7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.608 10.022 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.122 9.481 -7.994 1.00 0.00 H new ATOM 1340 N GLU A 86 -12.360 6.861 -2.104 1.00 0.00 N ATOM 1341 CA GLU A 86 -11.661 7.837 -1.204 1.00 0.00 C ATOM 1342 C GLU A 86 -12.605 8.482 -0.164 1.00 0.00 C ATOM 1343 O GLU A 86 -13.785 8.643 -0.443 1.00 0.00 O ATOM 1344 CB GLU A 86 -10.956 8.917 -2.083 1.00 0.00 C ATOM 1345 CG GLU A 86 -11.892 10.105 -2.457 1.00 0.00 C ATOM 1346 CD GLU A 86 -12.573 9.878 -3.811 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -13.467 9.053 -3.892 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -12.192 10.544 -4.760 1.00 0.00 O ATOM 1349 OXT GLU A 86 -12.116 8.816 0.903 1.00 0.00 O ATOM 0 H GLU A 86 -13.372 6.972 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.918 7.292 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.087 9.301 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.588 8.450 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.650 10.230 -1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.314 11.029 -2.489 1.00 0.00 H new