USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 48 CYS SG : rot -53:sc= 1.35 USER MOD Set 1.2: A 54 SER OG : rot 35:sc= 2 USER MOD Set 2.1: A 43 THR OG1 : rot 86:sc= 1.64 USER MOD Set 2.2: A 68 HIS : no HE2:sc= 0.964 K(o=2.6,f=-4.6!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -113:sc= 1.49 (180deg=0.283) USER MOD Set 3.2: A 66 TYR OH : rot -170:sc= 1.53 USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0.148 K(o=0.64,f=-1.9) USER MOD Set 4.2: A 47 TYR OH : rot 121:sc= 0.493 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.079) USER MOD Single : A 12 GLN : amide:sc= -0.0153 K(o=-0.015,f=-0.62) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.08 K(o=1.1,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0525 X(o=-0.052,f=-0.052) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.16) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 53 GLN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.17) USER MOD Single : A 62 SER OG : rot 94:sc= 1.29 USER MOD Single : A 64 MET CE :methyl 171:sc= 0 (180deg=-0.103) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 71 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 171:sc= 0 (180deg=-0.111) USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= 2.18 (180deg=1.38) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= 1.8 (180deg=1.53) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.889 -0.196 1.639 1.00 0.00 N ATOM 2 CA ALA A 1 2.408 -0.138 0.240 1.00 0.00 C ATOM 3 C ALA A 1 2.884 -1.379 -0.525 1.00 0.00 C ATOM 4 O ALA A 1 3.885 -1.325 -1.243 1.00 0.00 O ATOM 5 CB ALA A 1 2.848 1.175 -0.442 1.00 0.00 C ATOM 0 H1 ALA A 1 2.564 0.647 2.153 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.513 -1.049 2.100 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.928 -0.227 1.648 1.00 0.00 H new ATOM 0 HA ALA A 1 1.318 -0.141 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.482 1.192 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.437 2.024 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.936 1.237 -0.444 1.00 0.00 H new ATOM 13 N GLU A 2 2.203 -2.519 -0.371 1.00 0.00 N ATOM 14 CA GLU A 2 2.642 -3.824 -0.862 1.00 0.00 C ATOM 15 C GLU A 2 1.405 -4.712 -1.065 1.00 0.00 C ATOM 16 O GLU A 2 0.455 -4.637 -0.281 1.00 0.00 O ATOM 17 CB GLU A 2 3.589 -4.434 0.191 1.00 0.00 C ATOM 18 CG GLU A 2 4.096 -5.846 -0.133 1.00 0.00 C ATOM 19 CD GLU A 2 4.919 -6.420 1.032 1.00 0.00 C ATOM 20 OE1 GLU A 2 6.116 -6.079 1.158 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.382 -7.241 1.809 1.00 0.00 O ATOM 0 H GLU A 2 1.306 -2.558 0.113 1.00 0.00 H new ATOM 0 HA GLU A 2 3.169 -3.737 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.448 -3.774 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.072 -4.461 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.250 -6.501 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.707 -5.818 -1.035 1.00 0.00 H new ATOM 28 N HIS A 3 1.452 -5.581 -2.076 1.00 0.00 N ATOM 29 CA HIS A 3 0.526 -6.678 -2.339 1.00 0.00 C ATOM 30 C HIS A 3 1.363 -7.856 -2.841 1.00 0.00 C ATOM 31 O HIS A 3 2.509 -7.667 -3.253 1.00 0.00 O ATOM 32 CB HIS A 3 -0.496 -6.307 -3.425 1.00 0.00 C ATOM 33 CG HIS A 3 -1.363 -5.113 -3.122 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.148 -4.915 -2.007 1.00 0.00 N ATOM 35 CD2 HIS A 3 -1.554 -4.038 -3.944 1.00 0.00 C ATOM 36 CE1 HIS A 3 -2.783 -3.740 -2.149 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.459 -3.166 -3.322 1.00 0.00 N ATOM 0 H HIS A 3 2.189 -5.531 -2.779 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.024 -6.916 -1.429 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.041 -6.117 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.142 -7.167 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.088 -3.886 -4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.460 -3.315 -1.423 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.802 -2.277 -3.685 1.00 0.00 H new ATOM 45 N TRP A 4 0.786 -9.055 -2.892 1.00 0.00 N ATOM 46 CA TRP A 4 1.459 -10.243 -3.394 1.00 0.00 C ATOM 47 C TRP A 4 0.509 -10.944 -4.352 1.00 0.00 C ATOM 48 O TRP A 4 -0.646 -11.198 -3.998 1.00 0.00 O ATOM 49 CB TRP A 4 1.823 -11.171 -2.231 1.00 0.00 C ATOM 50 CG TRP A 4 2.913 -10.702 -1.318 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.788 -9.762 -0.355 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.301 -11.154 -1.248 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.996 -9.579 0.282 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.966 -10.419 -0.220 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.063 -12.116 -1.945 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.321 -10.619 0.088 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.417 -12.335 -1.632 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.050 -11.583 -0.626 1.00 0.00 C ATOM 0 H TRP A 4 -0.171 -9.227 -2.582 1.00 0.00 H new ATOM 0 HA TRP A 4 2.381 -9.972 -3.908 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.926 -11.338 -1.634 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.115 -12.137 -2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.876 -9.233 -0.120 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.153 -8.906 1.032 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.599 -12.693 -2.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.797 -10.038 0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.975 -13.087 -2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.094 -11.747 -0.403 1.00 0.00 H new ATOM 69 N ILE A 5 0.994 -11.265 -5.550 1.00 0.00 N ATOM 70 CA ILE A 5 0.200 -11.860 -6.612 1.00 0.00 C ATOM 71 C ILE A 5 0.981 -13.084 -7.071 1.00 0.00 C ATOM 72 O ILE A 5 2.077 -12.997 -7.627 1.00 0.00 O ATOM 73 CB ILE A 5 -0.103 -10.848 -7.742 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.820 -9.570 -7.242 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.945 -11.516 -8.845 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.281 -9.738 -6.811 1.00 0.00 C ATOM 0 H ILE A 5 1.969 -11.114 -5.810 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.790 -12.158 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 5 0.862 -10.537 -8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.258 -9.170 -6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.780 -8.823 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.151 -10.793 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.395 -12.360 -9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.885 -11.869 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.676 -8.777 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.869 -10.102 -7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.339 -10.454 -5.992 1.00 0.00 H new ATOM 88 N ASP A 6 0.414 -14.238 -6.767 1.00 0.00 N ATOM 89 CA ASP A 6 0.910 -15.543 -7.143 1.00 0.00 C ATOM 90 C ASP A 6 0.470 -15.792 -8.583 1.00 0.00 C ATOM 91 O ASP A 6 -0.654 -16.239 -8.817 1.00 0.00 O ATOM 92 CB ASP A 6 0.303 -16.543 -6.166 1.00 0.00 C ATOM 93 CG ASP A 6 0.602 -17.998 -6.475 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.666 -18.337 -7.029 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.246 -18.837 -6.092 1.00 0.00 O ATOM 0 H ASP A 6 -0.448 -14.289 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 6 1.996 -15.631 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.667 -16.317 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.778 -16.404 -6.151 1.00 0.00 H new ATOM 100 N VAL A 7 1.316 -15.413 -9.546 1.00 0.00 N ATOM 101 CA VAL A 7 1.024 -15.464 -10.984 1.00 0.00 C ATOM 102 C VAL A 7 1.014 -16.903 -11.533 1.00 0.00 C ATOM 103 O VAL A 7 0.806 -17.131 -12.729 1.00 0.00 O ATOM 104 CB VAL A 7 1.977 -14.543 -11.776 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.025 -13.122 -11.190 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.415 -15.066 -11.896 1.00 0.00 C ATOM 0 H VAL A 7 2.248 -15.052 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 7 0.011 -15.085 -11.122 1.00 0.00 H new ATOM 0 HB VAL A 7 1.546 -14.527 -12.777 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.708 -12.509 -11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.028 -12.683 -11.217 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.374 -13.165 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.014 -14.357 -12.467 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.844 -15.184 -10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.410 -16.030 -12.405 1.00 0.00 H new ATOM 116 N ARG A 8 1.341 -17.866 -10.673 1.00 0.00 N ATOM 117 CA ARG A 8 1.481 -19.289 -10.947 1.00 0.00 C ATOM 118 C ARG A 8 0.139 -19.903 -11.329 1.00 0.00 C ATOM 119 O ARG A 8 -0.923 -19.376 -10.982 1.00 0.00 O ATOM 120 CB ARG A 8 1.952 -19.894 -9.626 1.00 0.00 C ATOM 121 CG ARG A 8 2.466 -21.339 -9.611 1.00 0.00 C ATOM 122 CD ARG A 8 3.042 -21.727 -8.234 1.00 0.00 C ATOM 123 NE ARG A 8 2.336 -21.087 -7.113 1.00 0.00 N ATOM 124 CZ ARG A 8 1.998 -21.631 -5.947 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.434 -22.826 -5.560 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.192 -20.953 -5.159 1.00 0.00 N ATOM 0 H ARG A 8 1.528 -17.652 -9.693 1.00 0.00 H new ATOM 0 HA ARG A 8 2.168 -19.473 -11.773 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.747 -19.258 -9.238 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.122 -19.833 -8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.652 -22.017 -9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.235 -21.459 -10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.991 -22.810 -8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.096 -21.452 -8.197 1.00 0.00 H new ATOM 0 HE ARG A 8 2.075 -20.110 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.053 -23.364 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.149 -23.205 -4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.846 -20.038 -5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.913 -21.342 -4.258 1.00 0.00 H new ATOM 140 N VAL A 9 0.197 -21.072 -11.964 1.00 0.00 N ATOM 141 CA VAL A 9 -0.992 -21.853 -12.268 1.00 0.00 C ATOM 142 C VAL A 9 -1.766 -22.216 -10.986 1.00 0.00 C ATOM 143 O VAL A 9 -1.154 -22.438 -9.935 1.00 0.00 O ATOM 144 CB VAL A 9 -0.628 -23.086 -13.127 1.00 0.00 C ATOM 145 CG1 VAL A 9 -0.109 -22.651 -14.506 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.412 -24.008 -12.465 1.00 0.00 C ATOM 0 H VAL A 9 1.067 -21.500 -12.280 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.669 -21.243 -12.865 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.550 -23.657 -13.231 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.142 -23.533 -15.095 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.880 -22.078 -15.021 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.780 -22.033 -14.382 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.621 -24.852 -13.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.332 -23.451 -12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.021 -24.375 -11.516 1.00 0.00 H new ATOM 156 N PRO A 10 -3.107 -22.307 -11.053 1.00 0.00 N ATOM 157 CA PRO A 10 -3.942 -22.439 -9.866 1.00 0.00 C ATOM 158 C PRO A 10 -3.843 -23.829 -9.224 1.00 0.00 C ATOM 159 O PRO A 10 -4.151 -23.986 -8.041 1.00 0.00 O ATOM 160 CB PRO A 10 -5.359 -22.114 -10.346 1.00 0.00 C ATOM 161 CG PRO A 10 -5.353 -22.556 -11.805 1.00 0.00 C ATOM 162 CD PRO A 10 -3.941 -22.175 -12.244 1.00 0.00 C ATOM 0 HA PRO A 10 -3.620 -21.765 -9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.111 -22.650 -9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.581 -21.051 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.538 -23.625 -11.909 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.115 -22.042 -12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.590 -22.829 -13.042 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.913 -21.156 -12.631 1.00 0.00 H new ATOM 170 N GLU A 11 -3.407 -24.848 -9.968 1.00 0.00 N ATOM 171 CA GLU A 11 -3.221 -26.200 -9.446 1.00 0.00 C ATOM 172 C GLU A 11 -2.171 -26.208 -8.326 1.00 0.00 C ATOM 173 O GLU A 11 -2.363 -26.870 -7.307 1.00 0.00 O ATOM 174 CB GLU A 11 -2.831 -27.131 -10.605 1.00 0.00 C ATOM 175 CG GLU A 11 -2.744 -28.603 -10.178 1.00 0.00 C ATOM 176 CD GLU A 11 -2.467 -29.524 -11.380 1.00 0.00 C ATOM 177 OE1 GLU A 11 -1.284 -29.767 -11.709 1.00 0.00 O ATOM 178 OE2 GLU A 11 -3.430 -30.035 -11.998 1.00 0.00 O ATOM 0 H GLU A 11 -3.172 -24.756 -10.956 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.151 -26.561 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.562 -27.032 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.869 -26.817 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.953 -28.722 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.677 -28.900 -9.699 1.00 0.00 H new ATOM 185 N GLN A 12 -1.084 -25.441 -8.476 1.00 0.00 N ATOM 186 CA GLN A 12 -0.021 -25.401 -7.476 1.00 0.00 C ATOM 187 C GLN A 12 -0.413 -24.504 -6.295 1.00 0.00 C ATOM 188 O GLN A 12 0.022 -24.748 -5.171 1.00 0.00 O ATOM 189 CB GLN A 12 1.287 -24.937 -8.127 1.00 0.00 C ATOM 190 CG GLN A 12 1.827 -25.930 -9.172 1.00 0.00 C ATOM 191 CD GLN A 12 3.142 -25.461 -9.807 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.006 -24.883 -9.153 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.325 -25.687 -11.098 1.00 0.00 N ATOM 0 H GLN A 12 -0.922 -24.840 -9.284 1.00 0.00 H new ATOM 0 HA GLN A 12 0.131 -26.405 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.126 -23.970 -8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.039 -24.789 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.982 -26.900 -8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.080 -26.071 -9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.606 -26.167 -11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.185 -25.381 -11.552 1.00 0.00 H new ATOM 202 N TYR A 13 -1.268 -23.499 -6.513 1.00 0.00 N ATOM 203 CA TYR A 13 -1.884 -22.728 -5.431 1.00 0.00 C ATOM 204 C TYR A 13 -2.667 -23.655 -4.494 1.00 0.00 C ATOM 205 O TYR A 13 -2.597 -23.501 -3.275 1.00 0.00 O ATOM 206 CB TYR A 13 -2.738 -21.596 -6.028 1.00 0.00 C ATOM 207 CG TYR A 13 -4.038 -21.250 -5.321 1.00 0.00 C ATOM 208 CD1 TYR A 13 -4.015 -20.595 -4.076 1.00 0.00 C ATOM 209 CD2 TYR A 13 -5.275 -21.548 -5.925 1.00 0.00 C ATOM 210 CE1 TYR A 13 -5.213 -20.248 -3.428 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.479 -21.210 -5.284 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.455 -20.558 -4.030 1.00 0.00 C ATOM 213 OH TYR A 13 -7.630 -20.232 -3.419 1.00 0.00 O ATOM 0 H TYR A 13 -1.552 -23.198 -7.445 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.116 -22.257 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.125 -20.696 -6.064 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.976 -21.861 -7.058 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.068 -20.357 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.298 -22.039 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.185 -19.746 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.424 -21.449 -5.750 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.381 -20.521 -3.979 1.00 0.00 H new ATOM 223 N GLN A 14 -3.325 -24.680 -5.044 1.00 0.00 N ATOM 224 CA GLN A 14 -4.026 -25.717 -4.288 1.00 0.00 C ATOM 225 C GLN A 14 -3.055 -26.774 -3.715 1.00 0.00 C ATOM 226 O GLN A 14 -3.465 -27.904 -3.443 1.00 0.00 O ATOM 227 CB GLN A 14 -5.116 -26.330 -5.189 1.00 0.00 C ATOM 228 CG GLN A 14 -6.222 -25.317 -5.532 1.00 0.00 C ATOM 229 CD GLN A 14 -7.067 -25.793 -6.711 1.00 0.00 C ATOM 230 OE1 GLN A 14 -8.079 -26.471 -6.550 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.660 -25.452 -7.924 1.00 0.00 N ATOM 0 H GLN A 14 -3.385 -24.813 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.504 -25.272 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.661 -26.695 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.557 -27.192 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.861 -25.165 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.773 -24.353 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.818 -24.889 -8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.189 -25.753 -8.743 1.00 0.00 H new ATOM 240 N GLN A 15 -1.765 -26.448 -3.549 1.00 0.00 N ATOM 241 CA GLN A 15 -0.749 -27.295 -2.922 1.00 0.00 C ATOM 242 C GLN A 15 0.109 -26.472 -1.957 1.00 0.00 C ATOM 243 O GLN A 15 0.434 -26.952 -0.867 1.00 0.00 O ATOM 244 CB GLN A 15 0.139 -27.973 -3.985 1.00 0.00 C ATOM 245 CG GLN A 15 -0.581 -28.990 -4.887 1.00 0.00 C ATOM 246 CD GLN A 15 -0.931 -30.286 -4.151 1.00 0.00 C ATOM 247 OE1 GLN A 15 -0.147 -31.232 -4.117 1.00 0.00 O ATOM 248 NE2 GLN A 15 -2.103 -30.368 -3.544 1.00 0.00 N ATOM 0 H GLN A 15 -1.390 -25.552 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.260 -28.076 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.579 -27.200 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.962 -28.478 -3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.494 -28.541 -5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.052 -29.222 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.750 -29.580 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.360 -31.219 -3.044 1.00 0.00 H new ATOM 257 N GLU A 16 0.432 -25.227 -2.303 1.00 0.00 N ATOM 258 CA GLU A 16 1.075 -24.270 -1.409 1.00 0.00 C ATOM 259 C GLU A 16 0.791 -22.855 -1.900 1.00 0.00 C ATOM 260 O GLU A 16 0.735 -22.642 -3.109 1.00 0.00 O ATOM 261 CB GLU A 16 2.589 -24.529 -1.378 1.00 0.00 C ATOM 262 CG GLU A 16 3.288 -23.701 -0.289 1.00 0.00 C ATOM 263 CD GLU A 16 4.680 -24.246 0.053 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.785 -25.447 0.399 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.652 -23.457 0.014 1.00 0.00 O ATOM 0 H GLU A 16 0.249 -24.849 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 16 0.679 -24.384 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.773 -25.589 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.019 -24.288 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.377 -22.667 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.672 -23.694 0.610 1.00 0.00 H new ATOM 272 N HIS A 17 0.668 -21.883 -0.998 1.00 0.00 N ATOM 273 CA HIS A 17 0.491 -20.462 -1.287 1.00 0.00 C ATOM 274 C HIS A 17 1.001 -19.678 -0.073 1.00 0.00 C ATOM 275 O HIS A 17 1.021 -20.217 1.036 1.00 0.00 O ATOM 276 CB HIS A 17 -1.007 -20.211 -1.516 1.00 0.00 C ATOM 277 CG HIS A 17 -1.386 -18.858 -2.058 1.00 0.00 C ATOM 278 ND1 HIS A 17 -1.160 -18.373 -3.330 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.196 -17.953 -1.422 1.00 0.00 C ATOM 280 CE1 HIS A 17 -1.801 -17.201 -3.435 1.00 0.00 C ATOM 281 NE2 HIS A 17 -2.462 -16.903 -2.306 1.00 0.00 N ATOM 0 H HIS A 17 0.690 -22.075 0.003 1.00 0.00 H new ATOM 0 HA HIS A 17 1.041 -20.148 -2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.379 -20.971 -2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.526 -20.357 -0.569 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.606 -18.824 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.566 -18.037 -0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.787 -16.576 -4.316 1.00 0.00 H new ATOM 289 N VAL A 18 1.416 -18.425 -0.251 1.00 0.00 N ATOM 290 CA VAL A 18 1.793 -17.552 0.862 1.00 0.00 C ATOM 291 C VAL A 18 0.521 -17.162 1.626 1.00 0.00 C ATOM 292 O VAL A 18 -0.527 -16.919 1.026 1.00 0.00 O ATOM 293 CB VAL A 18 2.584 -16.334 0.332 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.939 -15.325 1.435 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.900 -16.787 -0.325 1.00 0.00 C ATOM 0 H VAL A 18 1.501 -17.986 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 18 2.455 -18.065 1.559 1.00 0.00 H new ATOM 0 HB VAL A 18 1.929 -15.849 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.493 -14.493 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.024 -14.951 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.552 -15.814 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.442 -15.916 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.511 -17.312 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.680 -17.454 -1.158 1.00 0.00 H new ATOM 305 N GLN A 19 0.616 -17.069 2.955 1.00 0.00 N ATOM 306 CA GLN A 19 -0.481 -16.740 3.868 1.00 0.00 C ATOM 307 C GLN A 19 -0.792 -15.224 3.859 1.00 0.00 C ATOM 308 O GLN A 19 -0.935 -14.602 4.913 1.00 0.00 O ATOM 309 CB GLN A 19 -0.101 -17.290 5.258 1.00 0.00 C ATOM 310 CG GLN A 19 -1.283 -17.502 6.216 1.00 0.00 C ATOM 311 CD GLN A 19 -0.810 -18.019 7.578 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.848 -17.303 8.576 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.345 -19.257 7.663 1.00 0.00 N ATOM 0 H GLN A 19 1.497 -17.228 3.444 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.413 -17.207 3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.417 -18.240 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.606 -16.603 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.820 -16.563 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.985 -18.212 5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.315 -19.849 6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.017 -19.618 8.559 1.00 0.00 H new ATOM 322 N GLY A 20 -0.836 -14.599 2.679 1.00 0.00 N ATOM 323 CA GLY A 20 -1.013 -13.156 2.534 1.00 0.00 C ATOM 324 C GLY A 20 -0.904 -12.717 1.077 1.00 0.00 C ATOM 325 O GLY A 20 -0.185 -11.761 0.783 1.00 0.00 O ATOM 0 H GLY A 20 -0.748 -15.089 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.987 -12.867 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.261 -12.636 3.128 1.00 0.00 H new ATOM 329 N ALA A 21 -1.550 -13.446 0.162 1.00 0.00 N ATOM 330 CA ALA A 21 -1.434 -13.273 -1.283 1.00 0.00 C ATOM 331 C ALA A 21 -2.783 -13.556 -1.962 1.00 0.00 C ATOM 332 O ALA A 21 -3.756 -13.923 -1.295 1.00 0.00 O ATOM 333 CB ALA A 21 -0.338 -14.225 -1.790 1.00 0.00 C ATOM 0 H ALA A 21 -2.189 -14.198 0.419 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.161 -12.246 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.231 -14.115 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.608 -13.982 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.612 -15.253 -1.555 1.00 0.00 H new ATOM 339 N ILE A 22 -2.829 -13.404 -3.290 1.00 0.00 N ATOM 340 CA ILE A 22 -3.942 -13.823 -4.141 1.00 0.00 C ATOM 341 C ILE A 22 -3.333 -14.678 -5.246 1.00 0.00 C ATOM 342 O ILE A 22 -2.290 -14.307 -5.791 1.00 0.00 O ATOM 343 CB ILE A 22 -4.719 -12.635 -4.780 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.474 -11.260 -4.111 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.215 -12.995 -4.833 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.272 -10.100 -4.720 1.00 0.00 C ATOM 0 H ILE A 22 -2.069 -12.973 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.669 -14.360 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.327 -12.499 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.721 -11.337 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.412 -11.025 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.772 -12.171 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.352 -13.893 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.582 -13.176 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.037 -9.178 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.008 -9.990 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.339 -10.307 -4.633 1.00 0.00 H new ATOM 358 N ASN A 23 -3.965 -15.803 -5.589 1.00 0.00 N ATOM 359 CA ASN A 23 -3.595 -16.554 -6.785 1.00 0.00 C ATOM 360 C ASN A 23 -4.450 -16.036 -7.920 1.00 0.00 C ATOM 361 O ASN A 23 -5.679 -16.012 -7.820 1.00 0.00 O ATOM 362 CB ASN A 23 -3.757 -18.071 -6.642 1.00 0.00 C ATOM 363 CG ASN A 23 -3.408 -18.735 -7.979 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.268 -18.925 -8.832 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.144 -19.045 -8.216 1.00 0.00 N ATOM 0 H ASN A 23 -4.733 -16.211 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.532 -16.401 -6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.106 -18.447 -5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.780 -18.316 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.877 -19.446 -9.115 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.436 -18.883 -7.500 1.00 0.00 H new ATOM 372 N ILE A 24 -3.785 -15.623 -8.989 1.00 0.00 N ATOM 373 CA ILE A 24 -4.403 -15.206 -10.227 1.00 0.00 C ATOM 374 C ILE A 24 -3.400 -15.706 -11.271 1.00 0.00 C ATOM 375 O ILE A 24 -2.245 -15.292 -11.199 1.00 0.00 O ATOM 376 CB ILE A 24 -4.581 -13.663 -10.277 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.143 -13.003 -8.996 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.422 -13.333 -11.511 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.227 -11.468 -9.041 1.00 0.00 C ATOM 0 H ILE A 24 -2.767 -15.569 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.409 -15.599 -10.375 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.585 -13.226 -10.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.140 -13.401 -8.807 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.518 -13.293 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.566 -12.254 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.909 -13.685 -12.406 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.392 -13.824 -11.432 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.633 -11.098 -8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.231 -11.053 -9.195 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.877 -11.163 -9.861 1.00 0.00 H new ATOM 391 N PRO A 25 -3.754 -16.606 -12.200 1.00 0.00 N ATOM 392 CA PRO A 25 -2.794 -17.075 -13.191 1.00 0.00 C ATOM 393 C PRO A 25 -2.414 -15.903 -14.107 1.00 0.00 C ATOM 394 O PRO A 25 -3.244 -15.030 -14.363 1.00 0.00 O ATOM 395 CB PRO A 25 -3.499 -18.234 -13.901 1.00 0.00 C ATOM 396 CG PRO A 25 -4.984 -17.898 -13.768 1.00 0.00 C ATOM 397 CD PRO A 25 -5.066 -17.194 -12.412 1.00 0.00 C ATOM 0 HA PRO A 25 -1.850 -17.431 -12.779 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.198 -18.305 -14.946 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.263 -19.191 -13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.324 -17.252 -14.578 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.603 -18.795 -13.794 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.843 -16.430 -12.413 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.313 -17.899 -11.618 1.00 0.00 H new ATOM 405 N LEU A 26 -1.172 -15.864 -14.604 1.00 0.00 N ATOM 406 CA LEU A 26 -0.608 -14.700 -15.307 1.00 0.00 C ATOM 407 C LEU A 26 -1.490 -14.179 -16.454 1.00 0.00 C ATOM 408 O LEU A 26 -1.601 -12.968 -16.651 1.00 0.00 O ATOM 409 CB LEU A 26 0.812 -15.041 -15.800 1.00 0.00 C ATOM 410 CG LEU A 26 1.562 -13.878 -16.488 1.00 0.00 C ATOM 411 CD1 LEU A 26 1.634 -12.614 -15.622 1.00 0.00 C ATOM 412 CD2 LEU A 26 2.992 -14.323 -16.815 1.00 0.00 C ATOM 0 H LEU A 26 -0.522 -16.646 -14.530 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.565 -13.880 -14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.403 -15.382 -14.950 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.747 -15.875 -16.499 1.00 0.00 H new ATOM 0 HG LEU A 26 1.002 -13.630 -17.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.172 -11.834 -16.161 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.625 -12.269 -15.397 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.156 -12.839 -14.692 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.525 -13.506 -17.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.508 -14.596 -15.894 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.961 -15.184 -17.483 1.00 0.00 H new ATOM 424 N LYS A 27 -2.155 -15.078 -17.186 1.00 0.00 N ATOM 425 CA LYS A 27 -3.089 -14.730 -18.251 1.00 0.00 C ATOM 426 C LYS A 27 -4.226 -13.851 -17.723 1.00 0.00 C ATOM 427 O LYS A 27 -4.601 -12.888 -18.391 1.00 0.00 O ATOM 428 CB LYS A 27 -3.612 -16.037 -18.876 1.00 0.00 C ATOM 429 CG LYS A 27 -4.627 -15.854 -20.015 1.00 0.00 C ATOM 430 CD LYS A 27 -4.065 -15.088 -21.223 1.00 0.00 C ATOM 431 CE LYS A 27 -5.113 -15.045 -22.344 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.620 -14.329 -23.548 1.00 0.00 N ATOM 0 H LYS A 27 -2.055 -16.084 -17.050 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.583 -14.143 -19.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.763 -16.606 -19.255 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.073 -16.637 -18.092 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.971 -16.834 -20.345 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.498 -15.323 -19.632 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.793 -14.075 -20.928 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.156 -15.571 -21.581 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.391 -16.063 -22.618 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.015 -14.556 -21.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.361 -14.325 -24.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.379 -13.350 -23.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.774 -14.810 -23.916 1.00 0.00 H new ATOM 446 N GLU A 28 -4.765 -14.156 -16.539 1.00 0.00 N ATOM 447 CA GLU A 28 -5.751 -13.305 -15.888 1.00 0.00 C ATOM 448 C GLU A 28 -5.090 -12.047 -15.346 1.00 0.00 C ATOM 449 O GLU A 28 -5.659 -10.977 -15.521 1.00 0.00 O ATOM 450 CB GLU A 28 -6.484 -14.034 -14.749 1.00 0.00 C ATOM 451 CG GLU A 28 -7.865 -14.528 -15.187 1.00 0.00 C ATOM 452 CD GLU A 28 -8.581 -15.288 -14.057 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.817 -14.695 -12.979 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.938 -16.473 -14.251 1.00 0.00 O ATOM 0 H GLU A 28 -4.528 -14.996 -16.011 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.489 -13.036 -16.643 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.885 -14.880 -14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.591 -13.362 -13.897 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.474 -13.679 -15.497 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.760 -15.179 -16.055 1.00 0.00 H new ATOM 461 N VAL A 29 -3.915 -12.146 -14.713 1.00 0.00 N ATOM 462 CA VAL A 29 -3.254 -11.017 -14.040 1.00 0.00 C ATOM 463 C VAL A 29 -3.193 -9.803 -14.959 1.00 0.00 C ATOM 464 O VAL A 29 -3.528 -8.708 -14.520 1.00 0.00 O ATOM 465 CB VAL A 29 -1.844 -11.407 -13.540 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.999 -10.233 -13.017 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.948 -12.414 -12.398 1.00 0.00 C ATOM 0 H VAL A 29 -3.390 -13.019 -14.652 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.850 -10.753 -13.166 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.348 -11.816 -14.420 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.027 -10.602 -12.688 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.859 -9.502 -13.813 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.511 -9.762 -12.178 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.948 -12.680 -12.055 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.509 -11.973 -11.574 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.462 -13.309 -12.748 1.00 0.00 H new ATOM 477 N LYS A 30 -2.839 -9.982 -16.233 1.00 0.00 N ATOM 478 CA LYS A 30 -2.660 -8.872 -17.164 1.00 0.00 C ATOM 479 C LYS A 30 -3.947 -8.081 -17.455 1.00 0.00 C ATOM 480 O LYS A 30 -3.889 -7.049 -18.121 1.00 0.00 O ATOM 481 CB LYS A 30 -1.980 -9.415 -18.432 1.00 0.00 C ATOM 482 CG LYS A 30 -1.192 -8.319 -19.167 1.00 0.00 C ATOM 483 CD LYS A 30 -0.516 -8.890 -20.421 1.00 0.00 C ATOM 484 CE LYS A 30 0.218 -7.817 -21.242 1.00 0.00 C ATOM 485 NZ LYS A 30 -0.707 -6.874 -21.924 1.00 0.00 N ATOM 0 H LYS A 30 -2.669 -10.899 -16.645 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.017 -8.126 -16.696 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.307 -10.230 -18.164 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.734 -9.831 -19.100 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.863 -7.507 -19.447 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.439 -7.896 -18.502 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.193 -9.664 -20.126 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.268 -9.369 -21.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.881 -7.255 -20.585 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.846 -8.304 -21.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.156 -6.174 -22.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.324 -7.402 -22.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.289 -6.385 -21.215 1.00 0.00 H new ATOM 499 N GLU A 31 -5.104 -8.512 -16.954 1.00 0.00 N ATOM 500 CA GLU A 31 -6.330 -7.732 -16.963 1.00 0.00 C ATOM 501 C GLU A 31 -6.815 -7.553 -15.520 1.00 0.00 C ATOM 502 O GLU A 31 -7.066 -6.435 -15.073 1.00 0.00 O ATOM 503 CB GLU A 31 -7.354 -8.440 -17.863 1.00 0.00 C ATOM 504 CG GLU A 31 -8.687 -7.690 -17.898 1.00 0.00 C ATOM 505 CD GLU A 31 -9.668 -8.315 -18.906 1.00 0.00 C ATOM 506 OE1 GLU A 31 -10.433 -9.234 -18.533 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.703 -7.880 -20.080 1.00 0.00 O ATOM 0 H GLU A 31 -5.212 -9.430 -16.524 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.172 -6.734 -17.373 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.955 -8.522 -18.874 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.517 -9.455 -17.501 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.134 -7.697 -16.904 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.511 -6.647 -18.161 1.00 0.00 H new ATOM 514 N ARG A 32 -6.898 -8.649 -14.766 1.00 0.00 N ATOM 515 CA ARG A 32 -7.474 -8.708 -13.428 1.00 0.00 C ATOM 516 C ARG A 32 -6.686 -7.891 -12.409 1.00 0.00 C ATOM 517 O ARG A 32 -7.288 -7.432 -11.436 1.00 0.00 O ATOM 518 CB ARG A 32 -7.629 -10.181 -13.010 1.00 0.00 C ATOM 519 CG ARG A 32 -8.376 -10.342 -11.677 1.00 0.00 C ATOM 520 CD ARG A 32 -8.809 -11.798 -11.471 1.00 0.00 C ATOM 521 NE ARG A 32 -9.080 -12.094 -10.054 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.091 -13.314 -9.499 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.938 -14.408 -10.241 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.254 -13.434 -8.185 1.00 0.00 N ATOM 0 H ARG A 32 -6.552 -9.554 -15.085 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.460 -8.245 -13.455 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.165 -10.722 -13.790 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.642 -10.637 -12.927 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.733 -10.029 -10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.251 -9.692 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.703 -11.998 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.029 -12.464 -11.839 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.276 -11.302 -9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.810 -14.326 -11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.949 -15.328 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.369 -12.601 -7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.264 -14.359 -7.755 1.00 0.00 H new ATOM 538 N ILE A 33 -5.387 -7.645 -12.617 1.00 0.00 N ATOM 539 CA ILE A 33 -4.628 -6.772 -11.720 1.00 0.00 C ATOM 540 C ILE A 33 -5.303 -5.401 -11.651 1.00 0.00 C ATOM 541 O ILE A 33 -5.350 -4.819 -10.576 1.00 0.00 O ATOM 542 CB ILE A 33 -3.133 -6.651 -12.106 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.295 -6.007 -10.967 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.934 -5.878 -13.424 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.970 -7.001 -9.848 1.00 0.00 C ATOM 0 H ILE A 33 -4.847 -8.034 -13.390 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.635 -7.230 -10.731 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.773 -7.668 -12.260 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.367 -5.613 -11.381 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.842 -5.161 -10.551 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.870 -5.819 -13.654 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.451 -6.396 -14.231 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.339 -4.872 -13.320 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.383 -6.502 -9.077 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.897 -7.375 -9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.398 -7.834 -10.256 1.00 0.00 H new ATOM 557 N ALA A 34 -5.908 -4.913 -12.741 1.00 0.00 N ATOM 558 CA ALA A 34 -6.586 -3.621 -12.736 1.00 0.00 C ATOM 559 C ALA A 34 -7.774 -3.557 -11.761 1.00 0.00 C ATOM 560 O ALA A 34 -8.205 -2.458 -11.409 1.00 0.00 O ATOM 561 CB ALA A 34 -7.037 -3.267 -14.156 1.00 0.00 C ATOM 0 H ALA A 34 -5.939 -5.399 -13.637 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.864 -2.886 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.543 -2.301 -14.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.168 -3.215 -14.812 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.722 -4.032 -14.522 1.00 0.00 H new ATOM 567 N THR A 35 -8.296 -4.704 -11.313 1.00 0.00 N ATOM 568 CA THR A 35 -9.368 -4.785 -10.324 1.00 0.00 C ATOM 569 C THR A 35 -8.791 -5.143 -8.944 1.00 0.00 C ATOM 570 O THR A 35 -9.279 -4.648 -7.927 1.00 0.00 O ATOM 571 CB THR A 35 -10.412 -5.810 -10.814 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.813 -5.510 -12.142 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.679 -5.833 -9.952 1.00 0.00 C ATOM 0 H THR A 35 -7.977 -5.617 -11.636 1.00 0.00 H new ATOM 0 HA THR A 35 -9.863 -3.821 -10.212 1.00 0.00 H new ATOM 0 HB THR A 35 -9.923 -6.782 -10.751 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.474 -6.169 -12.441 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.375 -6.573 -10.347 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.417 -6.093 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.148 -4.849 -9.969 1.00 0.00 H new ATOM 581 N ALA A 36 -7.734 -5.962 -8.896 1.00 0.00 N ATOM 582 CA ALA A 36 -7.096 -6.373 -7.644 1.00 0.00 C ATOM 583 C ALA A 36 -6.267 -5.234 -7.033 1.00 0.00 C ATOM 584 O ALA A 36 -6.201 -5.094 -5.811 1.00 0.00 O ATOM 585 CB ALA A 36 -6.204 -7.594 -7.902 1.00 0.00 C ATOM 0 H ALA A 36 -7.297 -6.359 -9.728 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.878 -6.631 -6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.729 -7.901 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.811 -8.414 -8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.437 -7.337 -8.633 1.00 0.00 H new ATOM 591 N VAL A 37 -5.645 -4.427 -7.890 1.00 0.00 N ATOM 592 CA VAL A 37 -4.730 -3.339 -7.583 1.00 0.00 C ATOM 593 C VAL A 37 -5.014 -2.232 -8.615 1.00 0.00 C ATOM 594 O VAL A 37 -4.302 -2.111 -9.615 1.00 0.00 O ATOM 595 CB VAL A 37 -3.254 -3.811 -7.618 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.348 -2.712 -7.046 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.001 -5.128 -6.867 1.00 0.00 C ATOM 0 H VAL A 37 -5.781 -4.528 -8.896 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.885 -2.965 -6.571 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.020 -4.005 -8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.311 -3.046 -7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.453 -1.807 -7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.636 -2.502 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.945 -5.390 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.275 -5.008 -5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.603 -5.921 -7.311 1.00 0.00 H new ATOM 607 N PRO A 38 -6.075 -1.429 -8.431 1.00 0.00 N ATOM 608 CA PRO A 38 -6.311 -0.264 -9.275 1.00 0.00 C ATOM 609 C PRO A 38 -5.226 0.807 -9.064 1.00 0.00 C ATOM 610 O PRO A 38 -4.966 1.602 -9.972 1.00 0.00 O ATOM 611 CB PRO A 38 -7.711 0.233 -8.901 1.00 0.00 C ATOM 612 CG PRO A 38 -7.900 -0.251 -7.463 1.00 0.00 C ATOM 613 CD PRO A 38 -7.109 -1.558 -7.418 1.00 0.00 C ATOM 0 HA PRO A 38 -6.259 -0.508 -10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.781 1.319 -8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.472 -0.178 -9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.519 0.473 -6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.952 -0.411 -7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.673 -1.718 -6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.754 -2.413 -7.624 1.00 0.00 H new ATOM 621 N ASP A 39 -4.566 0.806 -7.899 1.00 0.00 N ATOM 622 CA ASP A 39 -3.371 1.603 -7.606 1.00 0.00 C ATOM 623 C ASP A 39 -2.203 1.180 -8.518 1.00 0.00 C ATOM 624 O ASP A 39 -2.314 0.212 -9.274 1.00 0.00 O ATOM 625 CB ASP A 39 -3.023 1.456 -6.113 1.00 0.00 C ATOM 626 CG ASP A 39 -2.144 2.611 -5.608 1.00 0.00 C ATOM 627 OD1 ASP A 39 -0.915 2.573 -5.831 1.00 0.00 O ATOM 628 OD2 ASP A 39 -2.694 3.582 -5.038 1.00 0.00 O ATOM 0 H ASP A 39 -4.860 0.231 -7.109 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.565 2.656 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.942 1.419 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.505 0.510 -5.953 1.00 0.00 H new ATOM 633 N LYS A 40 -1.074 1.891 -8.478 1.00 0.00 N ATOM 634 CA LYS A 40 0.109 1.617 -9.301 1.00 0.00 C ATOM 635 C LYS A 40 1.402 1.687 -8.483 1.00 0.00 C ATOM 636 O LYS A 40 2.382 1.052 -8.875 1.00 0.00 O ATOM 637 CB LYS A 40 0.164 2.599 -10.491 1.00 0.00 C ATOM 638 CG LYS A 40 -1.010 2.444 -11.476 1.00 0.00 C ATOM 639 CD LYS A 40 -0.947 1.155 -12.314 1.00 0.00 C ATOM 640 CE LYS A 40 -2.301 0.744 -12.913 1.00 0.00 C ATOM 641 NZ LYS A 40 -3.280 0.330 -11.878 1.00 0.00 N ATOM 0 H LYS A 40 -0.953 2.692 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 40 0.023 0.599 -9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.173 3.620 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.100 2.452 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.946 2.459 -10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.026 3.303 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.228 1.292 -13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.574 0.343 -11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.711 1.578 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.150 -0.077 -13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.481 -0.686 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.886 0.515 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.161 0.870 -11.997 1.00 0.00 H new ATOM 655 N ASN A 41 1.405 2.420 -7.365 1.00 0.00 N ATOM 656 CA ASN A 41 2.562 2.617 -6.499 1.00 0.00 C ATOM 657 C ASN A 41 2.587 1.584 -5.368 1.00 0.00 C ATOM 658 O ASN A 41 3.628 1.385 -4.746 1.00 0.00 O ATOM 659 CB ASN A 41 2.524 4.034 -5.910 1.00 0.00 C ATOM 660 CG ASN A 41 3.751 4.312 -5.042 1.00 0.00 C ATOM 661 OD1 ASN A 41 4.878 4.337 -5.529 1.00 0.00 O ATOM 662 ND2 ASN A 41 3.564 4.545 -3.752 1.00 0.00 N ATOM 0 H ASN A 41 0.573 2.906 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 41 3.466 2.489 -7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.475 4.764 -6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.620 4.158 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.362 4.748 -3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.622 4.521 -3.361 1.00 0.00 H new ATOM 669 N ASP A 42 1.462 0.925 -5.068 1.00 0.00 N ATOM 670 CA ASP A 42 1.467 -0.239 -4.183 1.00 0.00 C ATOM 671 C ASP A 42 2.351 -1.309 -4.822 1.00 0.00 C ATOM 672 O ASP A 42 2.120 -1.696 -5.968 1.00 0.00 O ATOM 673 CB ASP A 42 0.063 -0.808 -3.942 1.00 0.00 C ATOM 674 CG ASP A 42 -0.599 -0.211 -2.692 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.099 -0.474 -1.576 1.00 0.00 O ATOM 676 OD2 ASP A 42 -1.603 0.527 -2.817 1.00 0.00 O ATOM 0 H ASP A 42 0.541 1.179 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 42 1.849 0.070 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.562 -0.608 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.125 -1.891 -3.836 1.00 0.00 H new ATOM 681 N THR A 43 3.361 -1.770 -4.087 1.00 0.00 N ATOM 682 CA THR A 43 4.368 -2.711 -4.550 1.00 0.00 C ATOM 683 C THR A 43 3.722 -4.064 -4.846 1.00 0.00 C ATOM 684 O THR A 43 3.480 -4.836 -3.917 1.00 0.00 O ATOM 685 CB THR A 43 5.467 -2.827 -3.477 1.00 0.00 C ATOM 686 OG1 THR A 43 5.949 -1.551 -3.109 1.00 0.00 O ATOM 687 CG2 THR A 43 6.634 -3.685 -3.947 1.00 0.00 C ATOM 0 H THR A 43 3.502 -1.485 -3.118 1.00 0.00 H new ATOM 0 HA THR A 43 4.821 -2.358 -5.476 1.00 0.00 H new ATOM 0 HB THR A 43 5.010 -3.309 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.378 -1.176 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.386 -3.740 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.278 -4.689 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.075 -3.242 -4.840 1.00 0.00 H new ATOM 695 N VAL A 44 3.441 -4.379 -6.110 1.00 0.00 N ATOM 696 CA VAL A 44 2.976 -5.715 -6.463 1.00 0.00 C ATOM 697 C VAL A 44 4.187 -6.645 -6.439 1.00 0.00 C ATOM 698 O VAL A 44 5.127 -6.461 -7.213 1.00 0.00 O ATOM 699 CB VAL A 44 2.262 -5.724 -7.831 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.598 -7.093 -8.037 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.175 -4.641 -7.929 1.00 0.00 C ATOM 0 H VAL A 44 3.526 -3.735 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 44 2.233 -6.060 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 44 3.013 -5.523 -8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.090 -7.110 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.359 -7.873 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.873 -7.269 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.702 -4.688 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.425 -4.807 -7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.627 -3.659 -7.791 1.00 0.00 H new ATOM 711 N LYS A 45 4.173 -7.642 -5.555 1.00 0.00 N ATOM 712 CA LYS A 45 5.219 -8.650 -5.457 1.00 0.00 C ATOM 713 C LYS A 45 4.741 -9.878 -6.207 1.00 0.00 C ATOM 714 O LYS A 45 3.903 -10.632 -5.707 1.00 0.00 O ATOM 715 CB LYS A 45 5.583 -8.918 -3.989 1.00 0.00 C ATOM 716 CG LYS A 45 6.120 -7.617 -3.376 1.00 0.00 C ATOM 717 CD LYS A 45 6.832 -7.827 -2.035 1.00 0.00 C ATOM 718 CE LYS A 45 7.696 -6.594 -1.723 1.00 0.00 C ATOM 719 NZ LYS A 45 8.314 -6.658 -0.378 1.00 0.00 N ATOM 0 H LYS A 45 3.421 -7.771 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 45 6.147 -8.310 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.708 -9.263 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.333 -9.706 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.812 -7.151 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.293 -6.921 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.101 -7.984 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.454 -8.721 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.480 -6.504 -2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.081 -5.697 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.167 -6.063 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.636 -6.315 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.574 -7.642 -0.162 1.00 0.00 H new ATOM 733 N VAL A 46 5.198 -10.027 -7.446 1.00 0.00 N ATOM 734 CA VAL A 46 4.809 -11.144 -8.292 1.00 0.00 C ATOM 735 C VAL A 46 5.656 -12.359 -7.909 1.00 0.00 C ATOM 736 O VAL A 46 6.871 -12.227 -7.732 1.00 0.00 O ATOM 737 CB VAL A 46 4.929 -10.765 -9.783 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.835 -9.755 -10.162 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.289 -10.170 -10.183 1.00 0.00 C ATOM 0 H VAL A 46 5.847 -9.377 -7.889 1.00 0.00 H new ATOM 0 HA VAL A 46 3.761 -11.400 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 46 4.817 -11.705 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.929 -9.495 -11.216 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.855 -10.197 -9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.944 -8.856 -9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.284 -9.933 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.471 -9.261 -9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.078 -10.893 -9.976 1.00 0.00 H new ATOM 749 N TYR A 47 5.048 -13.545 -7.804 1.00 0.00 N ATOM 750 CA TYR A 47 5.781 -14.786 -7.558 1.00 0.00 C ATOM 751 C TYR A 47 5.096 -15.984 -8.225 1.00 0.00 C ATOM 752 O TYR A 47 3.916 -15.923 -8.564 1.00 0.00 O ATOM 753 CB TYR A 47 5.978 -15.000 -6.049 1.00 0.00 C ATOM 754 CG TYR A 47 4.778 -15.496 -5.265 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.842 -14.587 -4.738 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.641 -16.873 -5.005 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.794 -15.049 -3.922 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.594 -17.342 -4.197 1.00 0.00 C ATOM 759 CZ TYR A 47 2.675 -16.431 -3.638 1.00 0.00 C ATOM 760 OH TYR A 47 1.655 -16.905 -2.867 1.00 0.00 O ATOM 0 H TYR A 47 4.039 -13.669 -7.887 1.00 0.00 H new ATOM 0 HA TYR A 47 6.768 -14.699 -8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.792 -15.712 -5.910 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.303 -14.056 -5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.929 -13.534 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.346 -17.572 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.080 -14.350 -3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.492 -18.400 -4.004 1.00 0.00 H new ATOM 0 HH TYR A 47 1.132 -17.555 -3.381 1.00 0.00 H new ATOM 770 N CYS A 48 5.851 -17.066 -8.418 1.00 0.00 N ATOM 771 CA CYS A 48 5.439 -18.398 -8.833 1.00 0.00 C ATOM 772 C CYS A 48 6.555 -19.347 -8.368 1.00 0.00 C ATOM 773 O CYS A 48 7.563 -18.887 -7.827 1.00 0.00 O ATOM 774 CB CYS A 48 5.225 -18.440 -10.359 1.00 0.00 C ATOM 775 SG CYS A 48 6.779 -18.140 -11.246 1.00 0.00 S ATOM 0 H CYS A 48 6.860 -17.023 -8.273 1.00 0.00 H new ATOM 0 HA CYS A 48 4.487 -18.694 -8.393 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.821 -19.411 -10.646 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.488 -17.690 -10.647 1.00 0.00 H new ATOM 0 HG CYS A 48 7.319 -17.039 -10.815 1.00 0.00 H new ATOM 781 N ASN A 49 6.420 -20.658 -8.579 1.00 0.00 N ATOM 782 CA ASN A 49 7.413 -21.624 -8.100 1.00 0.00 C ATOM 783 C ASN A 49 8.672 -21.621 -8.969 1.00 0.00 C ATOM 784 O ASN A 49 9.780 -21.735 -8.448 1.00 0.00 O ATOM 785 CB ASN A 49 6.808 -23.035 -8.059 1.00 0.00 C ATOM 786 CG ASN A 49 7.808 -24.043 -7.495 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.358 -23.849 -6.415 1.00 0.00 O ATOM 788 ND2 ASN A 49 8.062 -25.132 -8.201 1.00 0.00 N ATOM 0 H ASN A 49 5.634 -21.075 -9.078 1.00 0.00 H new ATOM 0 HA ASN A 49 7.701 -21.325 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.906 -23.030 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.510 -23.336 -9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.723 -25.825 -7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.597 -25.279 -9.097 1.00 0.00 H new ATOM 795 N ALA A 50 8.508 -21.476 -10.288 1.00 0.00 N ATOM 796 CA ALA A 50 9.615 -21.513 -11.240 1.00 0.00 C ATOM 797 C ALA A 50 10.422 -20.208 -11.265 1.00 0.00 C ATOM 798 O ALA A 50 11.517 -20.179 -11.826 1.00 0.00 O ATOM 799 CB ALA A 50 9.054 -21.794 -12.638 1.00 0.00 C ATOM 0 H ALA A 50 7.598 -21.329 -10.724 1.00 0.00 H new ATOM 0 HA ALA A 50 10.297 -22.302 -10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.871 -21.824 -13.359 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.536 -22.753 -12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.355 -21.005 -12.915 1.00 0.00 H new ATOM 805 N GLY A 51 9.871 -19.111 -10.736 1.00 0.00 N ATOM 806 CA GLY A 51 10.437 -17.767 -10.820 1.00 0.00 C ATOM 807 C GLY A 51 10.223 -17.129 -12.194 1.00 0.00 C ATOM 808 O GLY A 51 9.812 -15.971 -12.264 1.00 0.00 O ATOM 0 H GLY A 51 8.991 -19.138 -10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.984 -17.136 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.505 -17.811 -10.605 1.00 0.00 H new ATOM 812 N ARG A 52 10.423 -17.887 -13.278 1.00 0.00 N ATOM 813 CA ARG A 52 10.316 -17.441 -14.671 1.00 0.00 C ATOM 814 C ARG A 52 9.036 -16.656 -14.945 1.00 0.00 C ATOM 815 O ARG A 52 9.103 -15.555 -15.494 1.00 0.00 O ATOM 816 CB ARG A 52 10.440 -18.678 -15.587 1.00 0.00 C ATOM 817 CG ARG A 52 10.075 -18.404 -17.059 1.00 0.00 C ATOM 818 CD ARG A 52 10.369 -19.606 -17.967 1.00 0.00 C ATOM 819 NE ARG A 52 11.815 -19.862 -18.111 1.00 0.00 N ATOM 820 CZ ARG A 52 12.362 -20.929 -18.711 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.593 -21.876 -19.245 1.00 0.00 N ATOM 822 NH2 ARG A 52 13.684 -21.043 -18.775 1.00 0.00 N ATOM 0 H ARG A 52 10.675 -18.873 -13.204 1.00 0.00 H new ATOM 0 HA ARG A 52 11.126 -16.743 -14.880 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.463 -19.052 -15.540 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.794 -19.468 -15.204 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.017 -18.150 -17.127 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.634 -17.538 -17.414 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.885 -20.493 -17.559 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.934 -19.430 -18.951 1.00 0.00 H new ATOM 0 HE ARG A 52 12.453 -19.168 -17.721 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.577 -21.794 -19.200 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.020 -22.684 -19.699 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.278 -20.321 -18.369 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.105 -21.853 -19.230 1.00 0.00 H new ATOM 836 N GLN A 53 7.878 -17.212 -14.587 1.00 0.00 N ATOM 837 CA GLN A 53 6.599 -16.606 -14.944 1.00 0.00 C ATOM 838 C GLN A 53 6.402 -15.300 -14.170 1.00 0.00 C ATOM 839 O GLN A 53 5.912 -14.329 -14.742 1.00 0.00 O ATOM 840 CB GLN A 53 5.478 -17.642 -14.756 1.00 0.00 C ATOM 841 CG GLN A 53 4.134 -17.248 -15.378 1.00 0.00 C ATOM 842 CD GLN A 53 3.209 -18.456 -15.567 1.00 0.00 C ATOM 843 OE1 GLN A 53 3.460 -19.316 -16.408 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.119 -18.567 -14.820 1.00 0.00 N ATOM 0 H GLN A 53 7.801 -18.077 -14.052 1.00 0.00 H new ATOM 0 HA GLN A 53 6.576 -16.322 -15.996 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.800 -18.589 -15.189 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.334 -17.812 -13.689 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.643 -16.512 -14.742 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.308 -16.771 -16.342 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.906 -17.856 -14.120 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.494 -19.363 -14.945 1.00 0.00 H new ATOM 853 N SER A 54 6.857 -15.215 -12.915 1.00 0.00 N ATOM 854 CA SER A 54 6.893 -13.950 -12.187 1.00 0.00 C ATOM 855 C SER A 54 7.931 -12.979 -12.759 1.00 0.00 C ATOM 856 O SER A 54 7.744 -11.769 -12.652 1.00 0.00 O ATOM 857 CB SER A 54 7.080 -14.186 -10.684 1.00 0.00 C ATOM 858 OG SER A 54 7.853 -15.337 -10.374 1.00 0.00 O ATOM 0 H SER A 54 7.206 -16.013 -12.384 1.00 0.00 H new ATOM 0 HA SER A 54 5.925 -13.467 -12.323 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.558 -13.310 -10.245 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.100 -14.282 -10.216 1.00 0.00 H new ATOM 0 HG SER A 54 8.553 -15.453 -11.050 1.00 0.00 H new ATOM 864 N GLY A 55 9.019 -13.465 -13.361 1.00 0.00 N ATOM 865 CA GLY A 55 10.004 -12.626 -14.035 1.00 0.00 C ATOM 866 C GLY A 55 9.336 -11.883 -15.184 1.00 0.00 C ATOM 867 O GLY A 55 9.353 -10.652 -15.222 1.00 0.00 O ATOM 0 H GLY A 55 9.240 -14.460 -13.393 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.435 -11.915 -13.330 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.823 -13.239 -14.411 1.00 0.00 H new ATOM 871 N GLN A 56 8.653 -12.627 -16.059 1.00 0.00 N ATOM 872 CA GLN A 56 7.842 -12.044 -17.120 1.00 0.00 C ATOM 873 C GLN A 56 6.760 -11.139 -16.533 1.00 0.00 C ATOM 874 O GLN A 56 6.564 -10.037 -17.038 1.00 0.00 O ATOM 875 CB GLN A 56 7.247 -13.156 -17.995 1.00 0.00 C ATOM 876 CG GLN A 56 8.293 -13.764 -18.945 1.00 0.00 C ATOM 877 CD GLN A 56 8.371 -13.012 -20.278 1.00 0.00 C ATOM 878 OE1 GLN A 56 7.762 -13.421 -21.264 1.00 0.00 O ATOM 879 NE2 GLN A 56 9.095 -11.906 -20.367 1.00 0.00 N ATOM 0 H GLN A 56 8.650 -13.647 -16.048 1.00 0.00 H new ATOM 0 HA GLN A 56 8.473 -11.421 -17.754 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.838 -13.939 -17.357 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.418 -12.754 -18.578 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.271 -13.749 -18.464 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.046 -14.809 -19.133 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.603 -11.562 -19.552 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.145 -11.399 -21.251 1.00 0.00 H new ATOM 888 N ALA A 57 6.096 -11.544 -15.445 1.00 0.00 N ATOM 889 CA ALA A 57 5.081 -10.716 -14.808 1.00 0.00 C ATOM 890 C ALA A 57 5.642 -9.369 -14.341 1.00 0.00 C ATOM 891 O ALA A 57 4.951 -8.362 -14.480 1.00 0.00 O ATOM 892 CB ALA A 57 4.430 -11.448 -13.638 1.00 0.00 C ATOM 0 H ALA A 57 6.248 -12.444 -14.990 1.00 0.00 H new ATOM 0 HA ALA A 57 4.322 -10.515 -15.564 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.676 -10.806 -13.181 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.958 -12.362 -13.998 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.190 -11.699 -12.898 1.00 0.00 H new ATOM 898 N LYS A 58 6.876 -9.317 -13.816 1.00 0.00 N ATOM 899 CA LYS A 58 7.463 -8.048 -13.388 1.00 0.00 C ATOM 900 C LYS A 58 7.577 -7.108 -14.589 1.00 0.00 C ATOM 901 O LYS A 58 7.241 -5.927 -14.481 1.00 0.00 O ATOM 902 CB LYS A 58 8.810 -8.233 -12.665 1.00 0.00 C ATOM 903 CG LYS A 58 9.436 -6.866 -12.311 1.00 0.00 C ATOM 904 CD LYS A 58 10.490 -6.961 -11.201 1.00 0.00 C ATOM 905 CE LYS A 58 11.192 -5.609 -10.997 1.00 0.00 C ATOM 906 NZ LYS A 58 12.404 -5.715 -10.143 1.00 0.00 N ATOM 0 H LYS A 58 7.476 -10.130 -13.681 1.00 0.00 H new ATOM 0 HA LYS A 58 6.799 -7.596 -12.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.663 -8.817 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.494 -8.798 -13.299 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.893 -6.440 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.648 -6.181 -11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.017 -7.274 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.226 -7.723 -11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.471 -5.199 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.493 -4.906 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.904 -4.803 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.124 -5.966 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.033 -6.451 -10.523 1.00 0.00 H new ATOM 920 N GLU A 59 8.024 -7.631 -15.731 1.00 0.00 N ATOM 921 CA GLU A 59 8.217 -6.846 -16.944 1.00 0.00 C ATOM 922 C GLU A 59 6.850 -6.366 -17.437 1.00 0.00 C ATOM 923 O GLU A 59 6.657 -5.179 -17.692 1.00 0.00 O ATOM 924 CB GLU A 59 8.924 -7.692 -18.020 1.00 0.00 C ATOM 925 CG GLU A 59 10.338 -8.136 -17.614 1.00 0.00 C ATOM 926 CD GLU A 59 10.952 -9.093 -18.653 1.00 0.00 C ATOM 927 OE1 GLU A 59 10.619 -10.301 -18.650 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.786 -8.644 -19.473 1.00 0.00 O ATOM 0 H GLU A 59 8.263 -8.617 -15.838 1.00 0.00 H new ATOM 0 HA GLU A 59 8.849 -5.983 -16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.321 -8.575 -18.232 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.983 -7.116 -18.944 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.977 -7.260 -17.503 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.300 -8.629 -16.642 1.00 0.00 H new ATOM 935 N ILE A 60 5.887 -7.287 -17.501 1.00 0.00 N ATOM 936 CA ILE A 60 4.527 -7.052 -17.957 1.00 0.00 C ATOM 937 C ILE A 60 3.875 -5.940 -17.131 1.00 0.00 C ATOM 938 O ILE A 60 3.352 -4.988 -17.709 1.00 0.00 O ATOM 939 CB ILE A 60 3.767 -8.402 -17.919 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.192 -9.273 -19.126 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.244 -8.228 -17.885 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.763 -10.743 -19.017 1.00 0.00 C ATOM 0 H ILE A 60 6.046 -8.256 -17.224 1.00 0.00 H new ATOM 0 HA ILE A 60 4.504 -6.693 -18.986 1.00 0.00 H new ATOM 0 HB ILE A 60 4.038 -8.903 -16.990 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.767 -8.848 -20.035 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.276 -9.228 -19.229 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.766 -9.207 -17.859 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.962 -7.663 -16.996 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.919 -7.689 -18.775 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.098 -11.286 -19.901 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.209 -11.187 -18.127 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.677 -10.801 -18.946 1.00 0.00 H new ATOM 954 N LEU A 61 3.909 -6.022 -15.799 1.00 0.00 N ATOM 955 CA LEU A 61 3.242 -5.029 -14.965 1.00 0.00 C ATOM 956 C LEU A 61 3.958 -3.680 -15.045 1.00 0.00 C ATOM 957 O LEU A 61 3.296 -2.640 -15.011 1.00 0.00 O ATOM 958 CB LEU A 61 3.128 -5.507 -13.512 1.00 0.00 C ATOM 959 CG LEU A 61 2.184 -6.709 -13.299 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.011 -6.946 -11.795 1.00 0.00 C ATOM 961 CD2 LEU A 61 0.804 -6.533 -13.948 1.00 0.00 C ATOM 0 H LEU A 61 4.387 -6.760 -15.282 1.00 0.00 H new ATOM 0 HA LEU A 61 2.230 -4.898 -15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.122 -5.775 -13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.781 -4.677 -12.897 1.00 0.00 H new ATOM 0 HG LEU A 61 2.648 -7.566 -13.787 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.345 -7.794 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.982 -7.157 -11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.583 -6.056 -11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.196 -7.417 -13.756 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.313 -5.656 -13.526 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.922 -6.400 -15.023 1.00 0.00 H new ATOM 973 N SER A 62 5.284 -3.676 -15.202 1.00 0.00 N ATOM 974 CA SER A 62 6.026 -2.443 -15.425 1.00 0.00 C ATOM 975 C SER A 62 5.574 -1.786 -16.738 1.00 0.00 C ATOM 976 O SER A 62 5.323 -0.580 -16.758 1.00 0.00 O ATOM 977 CB SER A 62 7.535 -2.721 -15.416 1.00 0.00 C ATOM 978 OG SER A 62 7.929 -3.354 -14.209 1.00 0.00 O ATOM 0 H SER A 62 5.862 -4.516 -15.178 1.00 0.00 H new ATOM 0 HA SER A 62 5.817 -1.744 -14.615 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.797 -3.353 -16.264 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.081 -1.785 -15.535 1.00 0.00 H new ATOM 0 HG SER A 62 7.925 -4.326 -14.333 1.00 0.00 H new ATOM 984 N GLU A 63 5.391 -2.561 -17.814 1.00 0.00 N ATOM 985 CA GLU A 63 4.900 -2.057 -19.094 1.00 0.00 C ATOM 986 C GLU A 63 3.440 -1.588 -18.996 1.00 0.00 C ATOM 987 O GLU A 63 3.076 -0.599 -19.636 1.00 0.00 O ATOM 988 CB GLU A 63 5.058 -3.120 -20.196 1.00 0.00 C ATOM 989 CG GLU A 63 6.520 -3.284 -20.635 1.00 0.00 C ATOM 990 CD GLU A 63 6.648 -4.278 -21.803 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.575 -3.850 -22.979 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.845 -5.492 -21.568 1.00 0.00 O ATOM 0 H GLU A 63 5.582 -3.563 -17.817 1.00 0.00 H new ATOM 0 HA GLU A 63 5.506 -1.191 -19.360 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.679 -4.076 -19.834 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.450 -2.842 -21.057 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.923 -2.316 -20.933 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.118 -3.632 -19.792 1.00 0.00 H new ATOM 999 N MET A 64 2.611 -2.241 -18.170 1.00 0.00 N ATOM 1000 CA MET A 64 1.248 -1.789 -17.876 1.00 0.00 C ATOM 1001 C MET A 64 1.233 -0.463 -17.100 1.00 0.00 C ATOM 1002 O MET A 64 0.193 0.197 -17.052 1.00 0.00 O ATOM 1003 CB MET A 64 0.467 -2.855 -17.091 1.00 0.00 C ATOM 1004 CG MET A 64 0.088 -4.067 -17.947 1.00 0.00 C ATOM 1005 SD MET A 64 -0.818 -5.356 -17.048 1.00 0.00 S ATOM 1006 CE MET A 64 -2.405 -4.524 -16.761 1.00 0.00 C ATOM 0 H MET A 64 2.870 -3.101 -17.686 1.00 0.00 H new ATOM 0 HA MET A 64 0.762 -1.625 -18.838 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.067 -3.188 -16.244 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.439 -2.407 -16.683 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.520 -3.729 -18.786 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.996 -4.501 -18.365 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.124 -5.239 -16.361 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.266 -3.712 -16.047 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.780 -4.120 -17.702 1.00 0.00 H new ATOM 1016 N GLY A 65 2.359 -0.056 -16.505 1.00 0.00 N ATOM 1017 CA GLY A 65 2.513 1.240 -15.862 1.00 0.00 C ATOM 1018 C GLY A 65 2.445 1.166 -14.340 1.00 0.00 C ATOM 1019 O GLY A 65 2.278 2.207 -13.707 1.00 0.00 O ATOM 0 H GLY A 65 3.199 -0.632 -16.459 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.469 1.673 -16.156 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.734 1.912 -16.222 1.00 0.00 H new ATOM 1023 N TYR A 66 2.540 -0.024 -13.734 1.00 0.00 N ATOM 1024 CA TYR A 66 2.691 -0.130 -12.287 1.00 0.00 C ATOM 1025 C TYR A 66 4.062 0.442 -11.936 1.00 0.00 C ATOM 1026 O TYR A 66 5.093 -0.056 -12.392 1.00 0.00 O ATOM 1027 CB TYR A 66 2.508 -1.578 -11.806 1.00 0.00 C ATOM 1028 CG TYR A 66 1.059 -2.037 -11.818 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.416 -2.346 -13.033 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.328 -2.078 -10.615 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.962 -2.626 -13.058 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.048 -2.365 -10.634 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.706 -2.604 -11.858 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.060 -2.742 -11.900 1.00 0.00 O ATOM 0 H TYR A 66 2.515 -0.918 -14.224 1.00 0.00 H new ATOM 0 HA TYR A 66 1.916 0.438 -11.772 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.097 -2.241 -12.439 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.903 -1.670 -10.794 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.985 -2.368 -13.951 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.826 -1.888 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.450 -2.857 -13.993 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.603 -2.403 -9.708 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.437 -2.541 -11.018 1.00 0.00 H new ATOM 1044 N THR A 67 4.062 1.531 -11.173 1.00 0.00 N ATOM 1045 CA THR A 67 5.237 2.323 -10.855 1.00 0.00 C ATOM 1046 C THR A 67 6.074 1.663 -9.751 1.00 0.00 C ATOM 1047 O THR A 67 7.240 2.025 -9.573 1.00 0.00 O ATOM 1048 CB THR A 67 4.771 3.743 -10.480 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.749 3.695 -9.501 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.175 4.454 -11.699 1.00 0.00 C ATOM 0 H THR A 67 3.211 1.896 -10.746 1.00 0.00 H new ATOM 0 HA THR A 67 5.896 2.386 -11.721 1.00 0.00 H new ATOM 0 HB THR A 67 5.645 4.274 -10.104 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.469 4.607 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.852 5.455 -11.414 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.929 4.525 -12.483 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.320 3.888 -12.068 1.00 0.00 H new ATOM 1058 N HIS A 68 5.520 0.670 -9.043 1.00 0.00 N ATOM 1059 CA HIS A 68 6.222 -0.099 -8.030 1.00 0.00 C ATOM 1060 C HIS A 68 5.802 -1.564 -8.167 1.00 0.00 C ATOM 1061 O HIS A 68 4.639 -1.921 -7.978 1.00 0.00 O ATOM 1062 CB HIS A 68 5.928 0.483 -6.637 1.00 0.00 C ATOM 1063 CG HIS A 68 7.164 0.807 -5.839 1.00 0.00 C ATOM 1064 ND1 HIS A 68 7.554 0.225 -4.655 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.061 1.803 -6.114 1.00 0.00 C ATOM 1066 CE1 HIS A 68 8.663 0.850 -4.228 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.021 1.821 -5.091 1.00 0.00 N ATOM 0 H HIS A 68 4.550 0.380 -9.168 1.00 0.00 H new ATOM 0 HA HIS A 68 7.302 -0.042 -8.165 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.333 1.389 -6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.322 -0.229 -6.077 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.083 -0.547 -4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.035 2.461 -6.970 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.194 0.608 -3.319 1.00 0.00 H new ATOM 1075 N VAL A 69 6.763 -2.413 -8.514 1.00 0.00 N ATOM 1076 CA VAL A 69 6.617 -3.853 -8.678 1.00 0.00 C ATOM 1077 C VAL A 69 7.924 -4.441 -8.149 1.00 0.00 C ATOM 1078 O VAL A 69 8.978 -3.808 -8.281 1.00 0.00 O ATOM 1079 CB VAL A 69 6.406 -4.210 -10.174 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.258 -5.723 -10.408 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.172 -3.525 -10.780 1.00 0.00 C ATOM 0 H VAL A 69 7.715 -2.097 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 69 5.752 -4.247 -8.145 1.00 0.00 H new ATOM 0 HB VAL A 69 7.308 -3.847 -10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.113 -5.914 -11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.159 -6.234 -10.067 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.397 -6.095 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.075 -3.811 -11.827 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.280 -3.834 -10.235 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.285 -2.443 -10.708 1.00 0.00 H new ATOM 1091 N GLU A 70 7.886 -5.647 -7.588 1.00 0.00 N ATOM 1092 CA GLU A 70 9.094 -6.388 -7.277 1.00 0.00 C ATOM 1093 C GLU A 70 8.878 -7.850 -7.641 1.00 0.00 C ATOM 1094 O GLU A 70 7.751 -8.349 -7.634 1.00 0.00 O ATOM 1095 CB GLU A 70 9.496 -6.202 -5.803 1.00 0.00 C ATOM 1096 CG GLU A 70 10.905 -6.717 -5.470 1.00 0.00 C ATOM 1097 CD GLU A 70 12.005 -6.156 -6.391 1.00 0.00 C ATOM 1098 OE1 GLU A 70 12.123 -6.643 -7.541 1.00 0.00 O ATOM 1099 OE2 GLU A 70 12.749 -5.240 -5.974 1.00 0.00 O ATOM 0 H GLU A 70 7.023 -6.130 -7.340 1.00 0.00 H new ATOM 0 HA GLU A 70 9.927 -6.004 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.439 -5.143 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.773 -6.719 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.142 -6.459 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.909 -7.805 -5.535 1.00 0.00 H new ATOM 1106 N ASN A 71 9.967 -8.533 -7.979 1.00 0.00 N ATOM 1107 CA ASN A 71 9.942 -9.955 -8.244 1.00 0.00 C ATOM 1108 C ASN A 71 10.269 -10.681 -6.948 1.00 0.00 C ATOM 1109 O ASN A 71 11.273 -10.366 -6.304 1.00 0.00 O ATOM 1110 CB ASN A 71 10.972 -10.315 -9.312 1.00 0.00 C ATOM 1111 CG ASN A 71 10.790 -11.774 -9.676 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.346 -12.671 -9.051 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.942 -12.044 -10.650 1.00 0.00 N ATOM 0 H ASN A 71 10.890 -8.109 -8.075 1.00 0.00 H new ATOM 0 HA ASN A 71 8.957 -10.248 -8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.842 -9.685 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.982 -10.139 -8.940 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.739 -13.013 -10.895 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.490 -11.284 -11.158 1.00 0.00 H new ATOM 1120 N ALA A 72 9.445 -11.660 -6.583 1.00 0.00 N ATOM 1121 CA ALA A 72 9.606 -12.442 -5.368 1.00 0.00 C ATOM 1122 C ALA A 72 9.478 -13.944 -5.676 1.00 0.00 C ATOM 1123 O ALA A 72 9.029 -14.713 -4.828 1.00 0.00 O ATOM 1124 CB ALA A 72 8.593 -11.951 -4.326 1.00 0.00 C ATOM 0 H ALA A 72 8.633 -11.934 -7.136 1.00 0.00 H new ATOM 0 HA ALA A 72 10.604 -12.304 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.704 -12.530 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.772 -10.897 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.582 -12.076 -4.714 1.00 0.00 H new ATOM 1130 N GLY A 73 9.804 -14.359 -6.908 1.00 0.00 N ATOM 1131 CA GLY A 73 9.642 -15.731 -7.373 1.00 0.00 C ATOM 1132 C GLY A 73 10.389 -16.758 -6.512 1.00 0.00 C ATOM 1133 O GLY A 73 11.455 -16.468 -5.960 1.00 0.00 O ATOM 0 H GLY A 73 10.193 -13.736 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.581 -15.980 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.997 -15.803 -8.401 1.00 0.00 H new ATOM 1137 N GLY A 74 9.843 -17.976 -6.459 1.00 0.00 N ATOM 1138 CA GLY A 74 10.404 -19.140 -5.792 1.00 0.00 C ATOM 1139 C GLY A 74 9.806 -19.292 -4.396 1.00 0.00 C ATOM 1140 O GLY A 74 10.228 -18.603 -3.470 1.00 0.00 O ATOM 0 H GLY A 74 8.950 -18.181 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.204 -20.036 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.487 -19.040 -5.722 1.00 0.00 H new ATOM 1144 N LEU A 75 8.832 -20.198 -4.223 1.00 0.00 N ATOM 1145 CA LEU A 75 8.083 -20.378 -2.966 1.00 0.00 C ATOM 1146 C LEU A 75 8.992 -20.601 -1.752 1.00 0.00 C ATOM 1147 O LEU A 75 8.652 -20.168 -0.647 1.00 0.00 O ATOM 1148 CB LEU A 75 7.093 -21.565 -3.083 1.00 0.00 C ATOM 1149 CG LEU A 75 5.638 -21.233 -3.470 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.932 -20.371 -2.415 1.00 0.00 C ATOM 1151 CD2 LEU A 75 5.548 -20.568 -4.847 1.00 0.00 C ATOM 0 H LEU A 75 8.537 -20.836 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 75 7.538 -19.448 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.488 -22.263 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.077 -22.088 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 75 5.117 -22.189 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.911 -20.166 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.913 -20.903 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.470 -19.431 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.505 -20.352 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.119 -19.639 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.956 -21.239 -5.603 1.00 0.00 H new ATOM 1163 N LYS A 76 10.129 -21.282 -1.928 1.00 0.00 N ATOM 1164 CA LYS A 76 11.070 -21.539 -0.836 1.00 0.00 C ATOM 1165 C LYS A 76 11.866 -20.292 -0.442 1.00 0.00 C ATOM 1166 O LYS A 76 12.294 -20.191 0.706 1.00 0.00 O ATOM 1167 CB LYS A 76 11.999 -22.719 -1.185 1.00 0.00 C ATOM 1168 CG LYS A 76 12.949 -22.469 -2.371 1.00 0.00 C ATOM 1169 CD LYS A 76 13.827 -23.704 -2.629 1.00 0.00 C ATOM 1170 CE LYS A 76 14.874 -23.475 -3.732 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.282 -23.356 -5.089 1.00 0.00 N ATOM 0 H LYS A 76 10.421 -21.668 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 76 10.482 -21.814 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.595 -22.965 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.385 -23.592 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.370 -22.234 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.580 -21.605 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.335 -23.982 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.191 -24.544 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.436 -22.568 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.586 -24.301 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.039 -23.203 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.769 -24.230 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.623 -22.551 -5.111 1.00 0.00 H new ATOM 1185 N ASP A 77 12.076 -19.351 -1.367 1.00 0.00 N ATOM 1186 CA ASP A 77 12.890 -18.159 -1.122 1.00 0.00 C ATOM 1187 C ASP A 77 12.111 -17.115 -0.323 1.00 0.00 C ATOM 1188 O ASP A 77 12.702 -16.390 0.479 1.00 0.00 O ATOM 1189 CB ASP A 77 13.356 -17.548 -2.448 1.00 0.00 C ATOM 1190 CG ASP A 77 14.224 -16.301 -2.206 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.394 -16.449 -1.786 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.758 -15.169 -2.466 1.00 0.00 O ATOM 0 H ASP A 77 11.685 -19.395 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 77 13.760 -18.465 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.924 -18.287 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.490 -17.281 -3.054 1.00 0.00 H new ATOM 1197 N ILE A 78 10.786 -17.057 -0.511 1.00 0.00 N ATOM 1198 CA ILE A 78 9.910 -16.109 0.180 1.00 0.00 C ATOM 1199 C ILE A 78 10.002 -16.329 1.699 1.00 0.00 C ATOM 1200 O ILE A 78 10.097 -15.364 2.460 1.00 0.00 O ATOM 1201 CB ILE A 78 8.456 -16.231 -0.350 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.384 -15.996 -1.876 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.534 -15.226 0.361 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.013 -16.300 -2.490 1.00 0.00 C ATOM 0 H ILE A 78 10.290 -17.674 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 78 10.237 -15.089 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 78 8.122 -17.247 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.643 -14.958 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.135 -16.617 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.519 -15.327 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.537 -15.425 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.892 -14.213 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.045 -16.110 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.759 -17.345 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.259 -15.661 -2.031 1.00 0.00 H new ATOM 1216 N ALA A 79 10.010 -17.601 2.121 1.00 0.00 N ATOM 1217 CA ALA A 79 10.078 -18.061 3.510 1.00 0.00 C ATOM 1218 C ALA A 79 9.103 -17.346 4.470 1.00 0.00 C ATOM 1219 O ALA A 79 9.387 -17.196 5.661 1.00 0.00 O ATOM 1220 CB ALA A 79 11.539 -18.044 3.985 1.00 0.00 C ATOM 0 H ALA A 79 9.967 -18.379 1.463 1.00 0.00 H new ATOM 0 HA ALA A 79 9.721 -19.091 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.590 -18.386 5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.134 -18.704 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.931 -17.029 3.919 1.00 0.00 H new ATOM 1226 N MET A 80 7.952 -16.910 3.953 1.00 0.00 N ATOM 1227 CA MET A 80 6.830 -16.419 4.754 1.00 0.00 C ATOM 1228 C MET A 80 5.951 -17.611 5.163 1.00 0.00 C ATOM 1229 O MET A 80 6.058 -18.674 4.540 1.00 0.00 O ATOM 1230 CB MET A 80 5.997 -15.417 3.936 1.00 0.00 C ATOM 1231 CG MET A 80 6.677 -14.047 3.845 1.00 0.00 C ATOM 1232 SD MET A 80 5.792 -12.825 2.834 1.00 0.00 S ATOM 1233 CE MET A 80 4.277 -12.590 3.807 1.00 0.00 C ATOM 0 H MET A 80 7.771 -16.888 2.949 1.00 0.00 H new ATOM 0 HA MET A 80 7.209 -15.916 5.643 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.839 -15.811 2.932 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.014 -15.304 4.393 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.795 -13.648 4.852 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.678 -14.180 3.436 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.709 -11.754 3.399 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.672 -13.496 3.763 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.539 -12.379 4.844 1.00 0.00 H new ATOM 1243 N PRO A 81 5.068 -17.456 6.169 1.00 0.00 N ATOM 1244 CA PRO A 81 4.033 -18.437 6.476 1.00 0.00 C ATOM 1245 C PRO A 81 3.219 -18.812 5.231 1.00 0.00 C ATOM 1246 O PRO A 81 3.060 -18.008 4.303 1.00 0.00 O ATOM 1247 CB PRO A 81 3.157 -17.796 7.558 1.00 0.00 C ATOM 1248 CG PRO A 81 4.096 -16.802 8.237 1.00 0.00 C ATOM 1249 CD PRO A 81 4.983 -16.329 7.088 1.00 0.00 C ATOM 0 HA PRO A 81 4.468 -19.373 6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.289 -17.297 7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.782 -18.539 8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.549 -15.976 8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.678 -17.273 9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.556 -15.455 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.971 -16.042 7.448 1.00 0.00 H new ATOM 1257 N LYS A 82 2.661 -20.024 5.225 1.00 0.00 N ATOM 1258 CA LYS A 82 2.036 -20.622 4.048 1.00 0.00 C ATOM 1259 C LYS A 82 0.624 -21.104 4.368 1.00 0.00 C ATOM 1260 O LYS A 82 0.191 -21.108 5.522 1.00 0.00 O ATOM 1261 CB LYS A 82 2.893 -21.806 3.536 1.00 0.00 C ATOM 1262 CG LYS A 82 4.344 -21.489 3.133 1.00 0.00 C ATOM 1263 CD LYS A 82 4.444 -20.537 1.929 1.00 0.00 C ATOM 1264 CE LYS A 82 5.882 -20.133 1.558 1.00 0.00 C ATOM 1265 NZ LYS A 82 6.776 -21.278 1.255 1.00 0.00 N ATOM 0 H LYS A 82 2.631 -20.624 6.049 1.00 0.00 H new ATOM 0 HA LYS A 82 1.973 -19.860 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.915 -22.570 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.389 -22.243 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.862 -21.045 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.860 -22.419 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.978 -21.012 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.870 -19.636 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.850 -19.472 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.310 -19.560 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.475 -20.993 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.268 -21.573 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.212 -22.072 0.890 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.069 -21.533 3.324 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.316 -22.278 3.330 1.00 0.00 C ATOM 1281 C VAL A 83 -1.036 -23.410 2.338 1.00 0.00 C ATOM 1282 O VAL A 83 -0.321 -23.190 1.355 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.493 -21.376 2.893 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.833 -22.125 2.950 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.608 -20.122 3.773 1.00 0.00 C ATOM 0 H VAL A 83 0.254 -21.353 2.373 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.610 -22.652 4.311 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.279 -21.083 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.636 -21.458 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.796 -22.988 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.019 -22.461 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.447 -19.515 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.771 -20.418 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.688 -19.542 3.702 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.528 -24.625 2.592 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.191 -25.800 1.788 1.00 0.00 C ATOM 1297 C LYS A 84 -2.426 -26.666 1.574 1.00 0.00 C ATOM 1298 O LYS A 84 -3.386 -26.589 2.348 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.061 -26.609 2.455 1.00 0.00 C ATOM 1300 CG LYS A 84 1.283 -25.857 2.456 1.00 0.00 C ATOM 1301 CD LYS A 84 2.467 -26.721 2.918 1.00 0.00 C ATOM 1302 CE LYS A 84 2.754 -27.953 2.041 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.005 -27.610 0.618 1.00 0.00 N ATOM 0 H LYS A 84 -2.170 -24.821 3.360 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.835 -25.464 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.343 -26.843 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.058 -27.558 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.484 -25.486 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.203 -24.986 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.361 -26.099 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.277 -27.056 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.620 -28.481 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.908 -28.638 2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.404 -28.436 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.110 -27.336 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.677 -26.818 0.565 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.365 -27.512 0.543 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.510 -28.264 0.047 1.00 0.00 C ATOM 1319 C GLY A 85 -4.682 -27.323 -0.225 1.00 0.00 C ATOM 1320 O GLY A 85 -4.453 -26.207 -0.737 1.00 0.00 O ATOM 1321 OXT GLY A 85 -5.829 -27.706 0.083 1.00 0.00 O ATOM 0 H GLY A 85 -1.505 -27.693 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.239 -28.792 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.802 -29.019 0.777 1.00 0.00 H new