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 -74:sc= 0.433 USER MOD Set 1.2: A 54 SER OG : rot 171:sc= 1.99 USER MOD Set 2.1: A 43 THR OG1 : rot 85:sc= 1.25 USER MOD Set 2.2: A 68 HIS : no HE2:sc= 0.763 K(o=2,f=-3.9!) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.993 K(o=1,f=-0.15) USER MOD Set 3.2: A 67 THR OG1 : rot -179:sc= 0.0289 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.825 K(o=4.1,f=-4.7) USER MOD Set 4.2: A 49 ASN : amide:sc= 1.73 K(o=4.1,f=-2.9) USER MOD Set 4.3: A 76 LYS NZ :NH3+ -175:sc= 1.53 (180deg=0.869) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 15 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.675 K(o=0.67,f=-2.3!) USER MOD Single : A 19 GLN : amide:sc= 0.478 K(o=0.48,f=-0.25) USER MOD Single : A 23 ASN : amide:sc= 0.528 K(o=0.53,f=-1) 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=-0.00296 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 1.15 (180deg=1.13) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.33 (180deg=1.24) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.249 USER MOD Single : A 53 GLN : amide:sc= 0.357 X(o=0.36,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.16) USER MOD Single : A 62 SER OG : rot 67:sc= 1.27 USER MOD Single : A 64 MET CE :methyl 166:sc= -0.0754 (180deg=-0.288) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 71 ASN : amide:sc= -1.33! C(o=-1.3!,f=-1.4!) USER MOD Single : A 80 MET CE :methyl 171:sc= 0 (180deg=-0.0929) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 1.89 (180deg=1.88) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.754 -0.225 1.551 1.00 0.00 N ATOM 2 CA ALA A 1 0.767 -0.309 0.072 1.00 0.00 C ATOM 3 C ALA A 1 1.642 -1.484 -0.391 1.00 0.00 C ATOM 4 O ALA A 1 2.701 -1.274 -0.988 1.00 0.00 O ATOM 5 CB ALA A 1 1.203 1.033 -0.552 1.00 0.00 C ATOM 0 H1 ALA A 1 0.158 0.574 1.848 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.371 -1.108 1.945 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.724 -0.082 1.899 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.246 -0.503 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.205 0.946 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.507 1.817 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.206 1.286 -0.207 1.00 0.00 H new ATOM 13 N GLU A 2 1.218 -2.731 -0.153 1.00 0.00 N ATOM 14 CA GLU A 2 1.871 -3.934 -0.663 1.00 0.00 C ATOM 15 C GLU A 2 0.800 -5.021 -0.838 1.00 0.00 C ATOM 16 O GLU A 2 -0.132 -5.110 -0.030 1.00 0.00 O ATOM 17 CB GLU A 2 2.957 -4.390 0.336 1.00 0.00 C ATOM 18 CG GLU A 2 3.748 -5.629 -0.118 1.00 0.00 C ATOM 19 CD GLU A 2 4.732 -6.114 0.957 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.348 -6.964 1.794 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.911 -5.695 0.939 1.00 0.00 O ATOM 0 H GLU A 2 0.393 -2.932 0.412 1.00 0.00 H new ATOM 0 HA GLU A 2 2.351 -3.739 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.653 -3.568 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.486 -4.604 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.053 -6.433 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.296 -5.394 -1.031 1.00 0.00 H new ATOM 28 N HIS A 3 0.982 -5.878 -1.842 1.00 0.00 N ATOM 29 CA HIS A 3 0.254 -7.115 -2.083 1.00 0.00 C ATOM 30 C HIS A 3 1.266 -8.116 -2.642 1.00 0.00 C ATOM 31 O HIS A 3 2.334 -7.726 -3.115 1.00 0.00 O ATOM 32 CB HIS A 3 -0.870 -6.932 -3.116 1.00 0.00 C ATOM 33 CG HIS A 3 -2.006 -6.021 -2.719 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.878 -6.198 -1.665 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.430 -4.916 -3.408 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.791 -5.213 -1.713 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.565 -4.404 -2.765 1.00 0.00 N ATOM 0 H HIS A 3 1.692 -5.711 -2.555 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.206 -7.450 -1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.429 -6.547 -4.036 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.284 -7.913 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.968 -4.509 -4.295 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.596 -5.088 -1.004 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.109 -3.585 -3.038 1.00 0.00 H new ATOM 45 N TRP A 4 0.917 -9.399 -2.655 1.00 0.00 N ATOM 46 CA TRP A 4 1.739 -10.438 -3.250 1.00 0.00 C ATOM 47 C TRP A 4 0.806 -11.292 -4.091 1.00 0.00 C ATOM 48 O TRP A 4 -0.183 -11.811 -3.567 1.00 0.00 O ATOM 49 CB TRP A 4 2.377 -11.309 -2.157 1.00 0.00 C ATOM 50 CG TRP A 4 3.381 -10.691 -1.228 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.124 -9.719 -0.323 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.781 -11.064 -1.011 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.255 -9.443 0.410 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.295 -10.277 0.067 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.662 -12.007 -1.590 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.602 -10.430 0.556 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.972 -12.170 -1.099 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.443 -11.388 -0.030 1.00 0.00 C ATOM 0 H TRP A 4 0.048 -9.746 -2.249 1.00 0.00 H new ATOM 0 HA TRP A 4 2.542 -10.004 -3.846 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.570 -11.715 -1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.860 -12.153 -2.649 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.169 -9.230 -0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.315 -8.712 1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.326 -12.610 -2.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.956 -9.818 1.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.623 -12.905 -1.549 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.449 -11.524 0.339 1.00 0.00 H new ATOM 69 N ILE A 5 1.100 -11.435 -5.380 1.00 0.00 N ATOM 70 CA ILE A 5 0.294 -12.230 -6.289 1.00 0.00 C ATOM 71 C ILE A 5 1.230 -13.289 -6.866 1.00 0.00 C ATOM 72 O ILE A 5 2.223 -12.990 -7.532 1.00 0.00 O ATOM 73 CB ILE A 5 -0.405 -11.370 -7.371 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.530 -10.419 -6.889 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.098 -12.314 -8.371 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.196 -9.389 -5.809 1.00 0.00 C ATOM 0 H ILE A 5 1.909 -10.999 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.537 -12.704 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 5 0.400 -10.754 -7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.904 -9.879 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.350 -11.035 -6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.596 -11.726 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.355 -12.963 -8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.834 -12.923 -7.846 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.085 -8.801 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.859 -9.902 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.406 -8.729 -6.168 1.00 0.00 H new ATOM 88 N ASP A 6 0.909 -14.537 -6.564 1.00 0.00 N ATOM 89 CA ASP A 6 1.484 -15.714 -7.178 1.00 0.00 C ATOM 90 C ASP A 6 0.963 -15.800 -8.610 1.00 0.00 C ATOM 91 O ASP A 6 -0.251 -15.738 -8.819 1.00 0.00 O ATOM 92 CB ASP A 6 0.999 -16.926 -6.394 1.00 0.00 C ATOM 93 CG ASP A 6 1.433 -18.258 -6.982 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.401 -18.353 -7.766 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.778 -19.257 -6.617 1.00 0.00 O ATOM 0 H ASP A 6 0.212 -14.762 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 6 2.573 -15.674 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.368 -16.855 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.090 -16.901 -6.343 1.00 0.00 H new ATOM 100 N VAL A 7 1.852 -15.960 -9.585 1.00 0.00 N ATOM 101 CA VAL A 7 1.521 -15.995 -11.003 1.00 0.00 C ATOM 102 C VAL A 7 1.819 -17.366 -11.621 1.00 0.00 C ATOM 103 O VAL A 7 1.696 -17.510 -12.842 1.00 0.00 O ATOM 104 CB VAL A 7 2.190 -14.819 -11.752 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.751 -13.454 -11.201 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.726 -14.881 -11.749 1.00 0.00 C ATOM 0 H VAL A 7 2.850 -16.072 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 7 0.445 -15.857 -11.111 1.00 0.00 H new ATOM 0 HB VAL A 7 1.848 -14.926 -12.781 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.247 -12.660 -11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.671 -13.350 -11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.023 -13.382 -10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.126 -14.025 -12.292 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.089 -14.860 -10.721 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.054 -15.802 -12.231 1.00 0.00 H new ATOM 116 N ARG A 8 2.219 -18.372 -10.825 1.00 0.00 N ATOM 117 CA ARG A 8 2.334 -19.746 -11.327 1.00 0.00 C ATOM 118 C ARG A 8 0.939 -20.332 -11.565 1.00 0.00 C ATOM 119 O ARG A 8 -0.070 -19.754 -11.148 1.00 0.00 O ATOM 120 CB ARG A 8 3.194 -20.624 -10.391 1.00 0.00 C ATOM 121 CG ARG A 8 2.436 -21.292 -9.267 1.00 0.00 C ATOM 122 CD ARG A 8 3.349 -21.815 -8.148 1.00 0.00 C ATOM 123 NE ARG A 8 3.019 -21.116 -6.908 1.00 0.00 N ATOM 124 CZ ARG A 8 2.696 -21.690 -5.746 1.00 0.00 C ATOM 125 NH1 ARG A 8 3.101 -22.917 -5.424 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.928 -21.032 -4.898 1.00 0.00 N ATOM 0 H ARG A 8 2.465 -18.259 -9.842 1.00 0.00 H new ATOM 0 HA ARG A 8 2.856 -19.728 -12.284 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.683 -21.394 -10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.982 -20.006 -9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.725 -20.582 -8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.856 -22.122 -9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.216 -22.890 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.395 -21.652 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 8 3.037 -20.096 -6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.678 -23.451 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.835 -23.323 -4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.590 -20.099 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.672 -21.456 -4.006 1.00 0.00 H new ATOM 140 N VAL A 9 0.896 -21.508 -12.192 1.00 0.00 N ATOM 141 CA VAL A 9 -0.350 -22.211 -12.469 1.00 0.00 C ATOM 142 C VAL A 9 -1.138 -22.473 -11.169 1.00 0.00 C ATOM 143 O VAL A 9 -0.534 -22.814 -10.144 1.00 0.00 O ATOM 144 CB VAL A 9 -0.083 -23.492 -13.290 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.537 -23.144 -14.654 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.824 -24.509 -12.575 1.00 0.00 C ATOM 0 H VAL A 9 1.728 -21.998 -12.521 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.986 -21.576 -13.086 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.058 -23.961 -13.420 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.717 -24.060 -15.216 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.147 -22.504 -15.212 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.481 -22.620 -14.502 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.966 -25.381 -13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.791 -24.051 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.359 -24.816 -11.638 1.00 0.00 H new ATOM 156 N PRO A 10 -2.475 -22.321 -11.170 1.00 0.00 N ATOM 157 CA PRO A 10 -3.258 -22.339 -9.942 1.00 0.00 C ATOM 158 C PRO A 10 -3.252 -23.706 -9.248 1.00 0.00 C ATOM 159 O PRO A 10 -3.386 -23.757 -8.027 1.00 0.00 O ATOM 160 CB PRO A 10 -4.664 -21.879 -10.339 1.00 0.00 C ATOM 161 CG PRO A 10 -4.758 -22.235 -11.820 1.00 0.00 C ATOM 162 CD PRO A 10 -3.328 -22.017 -12.309 1.00 0.00 C ATOM 0 HA PRO A 10 -2.825 -21.673 -9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.431 -22.388 -9.756 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.796 -20.810 -10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.084 -23.264 -11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.468 -21.596 -12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.099 -22.666 -13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.181 -20.991 -12.646 1.00 0.00 H new ATOM 170 N GLU A 11 -3.037 -24.811 -9.968 1.00 0.00 N ATOM 171 CA GLU A 11 -2.991 -26.148 -9.377 1.00 0.00 C ATOM 172 C GLU A 11 -1.869 -26.280 -8.338 1.00 0.00 C ATOM 173 O GLU A 11 -1.968 -27.111 -7.436 1.00 0.00 O ATOM 174 CB GLU A 11 -2.825 -27.232 -10.458 1.00 0.00 C ATOM 175 CG GLU A 11 -3.961 -27.276 -11.496 1.00 0.00 C ATOM 176 CD GLU A 11 -3.635 -26.508 -12.790 1.00 0.00 C ATOM 177 OE1 GLU A 11 -3.223 -25.330 -12.716 1.00 0.00 O ATOM 178 OE2 GLU A 11 -3.805 -27.081 -13.892 1.00 0.00 O ATOM 0 H GLU A 11 -2.890 -24.802 -10.977 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.945 -26.295 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.881 -27.068 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.756 -28.205 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.177 -28.315 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.865 -26.859 -11.052 1.00 0.00 H new ATOM 185 N GLN A 12 -0.807 -25.472 -8.431 1.00 0.00 N ATOM 186 CA GLN A 12 0.258 -25.469 -7.433 1.00 0.00 C ATOM 187 C GLN A 12 -0.110 -24.568 -6.248 1.00 0.00 C ATOM 188 O GLN A 12 0.210 -24.904 -5.110 1.00 0.00 O ATOM 189 CB GLN A 12 1.573 -25.021 -8.074 1.00 0.00 C ATOM 190 CG GLN A 12 2.123 -26.030 -9.096 1.00 0.00 C ATOM 191 CD GLN A 12 3.446 -25.571 -9.717 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.247 -24.878 -9.094 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.713 -25.939 -10.959 1.00 0.00 N ATOM 0 H GLN A 12 -0.666 -24.810 -9.194 1.00 0.00 H new ATOM 0 HA GLN A 12 0.385 -26.482 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.421 -24.061 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.316 -24.864 -7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.269 -26.994 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.387 -26.181 -9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.047 -26.514 -11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.585 -25.648 -11.401 1.00 0.00 H new ATOM 202 N TYR A 13 -0.838 -23.469 -6.477 1.00 0.00 N ATOM 203 CA TYR A 13 -1.406 -22.645 -5.407 1.00 0.00 C ATOM 204 C TYR A 13 -2.356 -23.472 -4.535 1.00 0.00 C ATOM 205 O TYR A 13 -2.331 -23.344 -3.308 1.00 0.00 O ATOM 206 CB TYR A 13 -2.092 -21.409 -6.016 1.00 0.00 C ATOM 207 CG TYR A 13 -3.368 -20.934 -5.338 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.309 -20.013 -4.276 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.621 -21.389 -5.794 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.488 -19.556 -3.664 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.806 -20.943 -5.183 1.00 0.00 C ATOM 212 CZ TYR A 13 -5.744 -20.024 -4.109 1.00 0.00 C ATOM 213 OH TYR A 13 -6.882 -19.574 -3.507 1.00 0.00 O ATOM 0 H TYR A 13 -1.050 -23.126 -7.414 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.609 -22.293 -4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.377 -20.586 -6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.321 -21.626 -7.059 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.351 -19.655 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.672 -22.085 -6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.434 -18.846 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.763 -21.302 -5.533 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.662 -19.990 -3.930 1.00 0.00 H new ATOM 223 N GLN A 14 -3.137 -24.368 -5.151 1.00 0.00 N ATOM 224 CA GLN A 14 -4.009 -25.293 -4.435 1.00 0.00 C ATOM 225 C GLN A 14 -3.217 -26.241 -3.519 1.00 0.00 C ATOM 226 O GLN A 14 -3.798 -26.801 -2.588 1.00 0.00 O ATOM 227 CB GLN A 14 -4.866 -26.103 -5.426 1.00 0.00 C ATOM 228 CG GLN A 14 -5.907 -25.277 -6.205 1.00 0.00 C ATOM 229 CD GLN A 14 -7.069 -24.737 -5.361 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.238 -25.056 -4.187 1.00 0.00 O ATOM 231 NE2 GLN A 14 -7.914 -23.906 -5.951 1.00 0.00 N ATOM 0 H GLN A 14 -3.178 -24.468 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.664 -24.695 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.204 -26.594 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.384 -26.890 -4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.401 -24.436 -6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.315 -25.895 -7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.773 -23.642 -6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.706 -23.530 -5.431 1.00 0.00 H new ATOM 240 N GLN A 15 -1.912 -26.427 -3.746 1.00 0.00 N ATOM 241 CA GLN A 15 -1.086 -27.326 -2.950 1.00 0.00 C ATOM 242 C GLN A 15 -0.342 -26.552 -1.865 1.00 0.00 C ATOM 243 O GLN A 15 -0.366 -26.979 -0.712 1.00 0.00 O ATOM 244 CB GLN A 15 -0.131 -28.116 -3.860 1.00 0.00 C ATOM 245 CG GLN A 15 -0.893 -29.109 -4.752 1.00 0.00 C ATOM 246 CD GLN A 15 0.010 -29.711 -5.829 1.00 0.00 C ATOM 247 OE1 GLN A 15 0.862 -30.554 -5.558 1.00 0.00 O ATOM 248 NE2 GLN A 15 -0.155 -29.291 -7.073 1.00 0.00 N ATOM 0 H GLN A 15 -1.402 -25.954 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.727 -28.048 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.433 -27.424 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.592 -28.656 -3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.307 -29.908 -4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.734 -28.602 -5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.866 -28.591 -7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.429 -29.668 -7.820 1.00 0.00 H new ATOM 257 N GLU A 16 0.255 -25.402 -2.190 1.00 0.00 N ATOM 258 CA GLU A 16 0.830 -24.495 -1.199 1.00 0.00 C ATOM 259 C GLU A 16 0.999 -23.087 -1.782 1.00 0.00 C ATOM 260 O GLU A 16 1.430 -22.932 -2.928 1.00 0.00 O ATOM 261 CB GLU A 16 2.173 -25.050 -0.685 1.00 0.00 C ATOM 262 CG GLU A 16 2.697 -24.267 0.526 1.00 0.00 C ATOM 263 CD GLU A 16 3.774 -25.058 1.291 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.915 -25.189 0.796 1.00 0.00 O ATOM 265 OE2 GLU A 16 3.485 -25.557 2.402 1.00 0.00 O ATOM 0 H GLU A 16 0.352 -25.075 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 16 0.145 -24.422 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.051 -26.098 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.911 -25.013 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.112 -23.316 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.869 -24.037 1.197 1.00 0.00 H new ATOM 272 N HIS A 17 0.707 -22.057 -0.986 1.00 0.00 N ATOM 273 CA HIS A 17 0.933 -20.644 -1.280 1.00 0.00 C ATOM 274 C HIS A 17 1.203 -19.892 0.033 1.00 0.00 C ATOM 275 O HIS A 17 0.956 -20.423 1.117 1.00 0.00 O ATOM 276 CB HIS A 17 -0.276 -20.064 -2.034 1.00 0.00 C ATOM 277 CG HIS A 17 -1.598 -20.177 -1.309 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.444 -21.265 -1.312 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.227 -19.185 -0.604 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.542 -20.938 -0.612 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.462 -19.673 -0.159 1.00 0.00 N ATOM 0 H HIS A 17 0.283 -22.196 -0.069 1.00 0.00 H new ATOM 0 HA HIS A 17 1.805 -20.529 -1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.083 -19.012 -2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.362 -20.570 -2.995 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.267 -22.161 -1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.837 -18.195 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.377 -21.600 -0.436 1.00 0.00 H new ATOM 289 N VAL A 18 1.741 -18.671 -0.047 1.00 0.00 N ATOM 290 CA VAL A 18 2.022 -17.832 1.122 1.00 0.00 C ATOM 291 C VAL A 18 0.691 -17.385 1.753 1.00 0.00 C ATOM 292 O VAL A 18 -0.263 -17.077 1.038 1.00 0.00 O ATOM 293 CB VAL A 18 2.922 -16.647 0.696 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.250 -15.706 1.863 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.256 -17.142 0.111 1.00 0.00 C ATOM 0 H VAL A 18 1.996 -18.234 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 18 2.568 -18.388 1.884 1.00 0.00 H new ATOM 0 HB VAL A 18 2.349 -16.103 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.884 -14.893 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.326 -15.295 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.774 -16.261 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.866 -16.286 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.787 -17.729 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.062 -17.762 -0.764 1.00 0.00 H new ATOM 305 N GLN A 19 0.627 -17.318 3.091 1.00 0.00 N ATOM 306 CA GLN A 19 -0.593 -16.973 3.835 1.00 0.00 C ATOM 307 C GLN A 19 -1.130 -15.572 3.500 1.00 0.00 C ATOM 308 O GLN A 19 -2.338 -15.345 3.589 1.00 0.00 O ATOM 309 CB GLN A 19 -0.323 -17.076 5.351 1.00 0.00 C ATOM 310 CG GLN A 19 -0.336 -18.540 5.807 1.00 0.00 C ATOM 311 CD GLN A 19 -0.062 -18.770 7.294 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.160 -17.872 8.127 1.00 0.00 O ATOM 313 NE2 GLN A 19 0.279 -19.997 7.663 1.00 0.00 N ATOM 0 H GLN A 19 1.429 -17.504 3.693 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.360 -17.686 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.642 -16.626 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.079 -16.513 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.308 -18.969 5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.408 -19.089 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.358 -20.736 6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.462 -20.202 8.645 1.00 0.00 H new ATOM 322 N GLY A 20 -0.254 -14.639 3.116 1.00 0.00 N ATOM 323 CA GLY A 20 -0.574 -13.230 2.897 1.00 0.00 C ATOM 324 C GLY A 20 -0.509 -12.858 1.417 1.00 0.00 C ATOM 325 O GLY A 20 0.025 -11.800 1.080 1.00 0.00 O ATOM 0 H GLY A 20 0.728 -14.853 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.572 -13.020 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.122 -12.607 3.459 1.00 0.00 H new ATOM 329 N ALA A 21 -0.995 -13.737 0.534 1.00 0.00 N ATOM 330 CA ALA A 21 -0.910 -13.585 -0.914 1.00 0.00 C ATOM 331 C ALA A 21 -2.204 -14.043 -1.597 1.00 0.00 C ATOM 332 O ALA A 21 -3.074 -14.654 -0.971 1.00 0.00 O ATOM 333 CB ALA A 21 0.278 -14.410 -1.423 1.00 0.00 C ATOM 0 H ALA A 21 -1.469 -14.594 0.819 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.767 -12.532 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.355 -14.307 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.196 -14.051 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.128 -15.459 -1.168 1.00 0.00 H new ATOM 339 N ILE A 22 -2.288 -13.783 -2.902 1.00 0.00 N ATOM 340 CA ILE A 22 -3.321 -14.268 -3.818 1.00 0.00 C ATOM 341 C ILE A 22 -2.611 -15.118 -4.876 1.00 0.00 C ATOM 342 O ILE A 22 -1.392 -15.023 -5.021 1.00 0.00 O ATOM 343 CB ILE A 22 -4.083 -13.101 -4.525 1.00 0.00 C ATOM 344 CG1 ILE A 22 -3.887 -11.708 -3.879 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.574 -13.463 -4.659 1.00 0.00 C ATOM 346 CD1 ILE A 22 -4.692 -10.569 -4.520 1.00 0.00 C ATOM 0 H ILE A 22 -1.600 -13.197 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.062 -14.837 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.636 -12.998 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.157 -11.773 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.828 -11.452 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.103 -12.648 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.676 -14.373 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.999 -13.625 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.484 -9.637 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.407 -10.467 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.757 -10.794 -4.453 1.00 0.00 H new ATOM 358 N ASN A 23 -3.363 -15.888 -5.664 1.00 0.00 N ATOM 359 CA ASN A 23 -2.862 -16.489 -6.895 1.00 0.00 C ATOM 360 C ASN A 23 -3.757 -15.978 -8.002 1.00 0.00 C ATOM 361 O ASN A 23 -4.983 -16.076 -7.912 1.00 0.00 O ATOM 362 CB ASN A 23 -2.827 -18.023 -6.876 1.00 0.00 C ATOM 363 CG ASN A 23 -2.498 -18.599 -8.262 1.00 0.00 C ATOM 364 OD1 ASN A 23 -3.338 -18.610 -9.153 1.00 0.00 O ATOM 365 ND2 ASN A 23 -1.293 -19.091 -8.494 1.00 0.00 N ATOM 0 H ASN A 23 -4.338 -16.111 -5.464 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.820 -16.204 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.083 -18.362 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.792 -18.405 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.067 -19.477 -9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.589 -19.085 -7.756 1.00 0.00 H new ATOM 372 N ILE A 24 -3.124 -15.420 -9.023 1.00 0.00 N ATOM 373 CA ILE A 24 -3.763 -15.019 -10.259 1.00 0.00 C ATOM 374 C ILE A 24 -2.714 -15.381 -11.313 1.00 0.00 C ATOM 375 O ILE A 24 -1.669 -14.728 -11.343 1.00 0.00 O ATOM 376 CB ILE A 24 -4.134 -13.512 -10.271 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.787 -12.987 -8.968 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.028 -13.274 -11.489 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.079 -11.480 -8.940 1.00 0.00 C ATOM 0 H ILE A 24 -2.122 -15.230 -9.010 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.720 -15.512 -10.428 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.210 -12.938 -10.334 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.722 -13.524 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.133 -13.229 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.311 -12.222 -11.533 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.486 -13.542 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.925 -13.888 -11.408 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.535 -11.215 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.148 -10.927 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.762 -11.227 -9.751 1.00 0.00 H new ATOM 391 N PRO A 25 -2.913 -16.435 -12.124 1.00 0.00 N ATOM 392 CA PRO A 25 -1.877 -16.906 -13.032 1.00 0.00 C ATOM 393 C PRO A 25 -1.562 -15.812 -14.053 1.00 0.00 C ATOM 394 O PRO A 25 -2.418 -14.973 -14.346 1.00 0.00 O ATOM 395 CB PRO A 25 -2.431 -18.191 -13.654 1.00 0.00 C ATOM 396 CG PRO A 25 -3.946 -18.003 -13.584 1.00 0.00 C ATOM 397 CD PRO A 25 -4.139 -17.199 -12.299 1.00 0.00 C ATOM 0 HA PRO A 25 -0.929 -17.124 -12.540 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.090 -18.318 -14.682 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.111 -19.074 -13.101 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.326 -17.468 -14.454 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.469 -18.959 -13.544 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.003 -16.540 -12.376 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.315 -17.857 -11.448 1.00 0.00 H new ATOM 405 N LEU A 26 -0.348 -15.818 -14.610 1.00 0.00 N ATOM 406 CA LEU A 26 0.161 -14.716 -15.434 1.00 0.00 C ATOM 407 C LEU A 26 -0.792 -14.333 -16.578 1.00 0.00 C ATOM 408 O LEU A 26 -0.999 -13.148 -16.844 1.00 0.00 O ATOM 409 CB LEU A 26 1.563 -15.088 -15.954 1.00 0.00 C ATOM 410 CG LEU A 26 2.258 -14.009 -16.811 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.300 -12.639 -16.125 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.696 -14.457 -17.099 1.00 0.00 C ATOM 0 H LEU A 26 0.312 -16.588 -14.503 1.00 0.00 H new ATOM 0 HA LEU A 26 0.229 -13.825 -14.811 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.200 -15.316 -15.100 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.483 -16.001 -16.544 1.00 0.00 H new ATOM 0 HG LEU A 26 1.679 -13.899 -17.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.800 -11.922 -16.775 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.283 -12.301 -15.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.846 -12.719 -15.185 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.198 -13.702 -17.704 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.233 -14.584 -16.159 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.681 -15.404 -17.639 1.00 0.00 H new ATOM 424 N LYS A 27 -1.425 -15.324 -17.215 1.00 0.00 N ATOM 425 CA LYS A 27 -2.393 -15.102 -18.290 1.00 0.00 C ATOM 426 C LYS A 27 -3.595 -14.260 -17.847 1.00 0.00 C ATOM 427 O LYS A 27 -4.160 -13.541 -18.670 1.00 0.00 O ATOM 428 CB LYS A 27 -2.833 -16.446 -18.900 1.00 0.00 C ATOM 429 CG LYS A 27 -3.644 -17.346 -17.947 1.00 0.00 C ATOM 430 CD LYS A 27 -3.947 -18.703 -18.602 1.00 0.00 C ATOM 431 CE LYS A 27 -4.748 -19.642 -17.684 1.00 0.00 C ATOM 432 NZ LYS A 27 -6.161 -19.217 -17.501 1.00 0.00 N ATOM 0 H LYS A 27 -1.278 -16.309 -16.996 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.891 -14.518 -19.061 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.431 -16.248 -19.789 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.947 -16.990 -19.226 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.087 -17.500 -17.023 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.577 -16.851 -17.678 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.506 -18.540 -19.524 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.009 -19.185 -18.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.729 -20.649 -18.100 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.261 -19.690 -16.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.647 -19.889 -16.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.186 -18.267 -17.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.640 -19.197 -18.424 1.00 0.00 H new ATOM 446 N GLU A 28 -3.994 -14.341 -16.574 1.00 0.00 N ATOM 447 CA GLU A 28 -5.092 -13.559 -16.023 1.00 0.00 C ATOM 448 C GLU A 28 -4.580 -12.254 -15.439 1.00 0.00 C ATOM 449 O GLU A 28 -5.198 -11.220 -15.668 1.00 0.00 O ATOM 450 CB GLU A 28 -5.838 -14.346 -14.929 1.00 0.00 C ATOM 451 CG GLU A 28 -7.200 -14.837 -15.427 1.00 0.00 C ATOM 452 CD GLU A 28 -7.931 -15.655 -14.351 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.367 -15.065 -13.336 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.093 -16.884 -14.528 1.00 0.00 O ATOM 0 H GLU A 28 -3.555 -14.961 -15.893 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.783 -13.344 -16.838 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.235 -15.198 -14.615 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.976 -13.713 -14.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.813 -13.983 -15.715 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.064 -15.447 -16.320 1.00 0.00 H new ATOM 461 N VAL A 29 -3.472 -12.277 -14.694 1.00 0.00 N ATOM 462 CA VAL A 29 -3.018 -11.136 -13.890 1.00 0.00 C ATOM 463 C VAL A 29 -2.843 -9.879 -14.741 1.00 0.00 C ATOM 464 O VAL A 29 -3.169 -8.779 -14.303 1.00 0.00 O ATOM 465 CB VAL A 29 -1.750 -11.532 -13.100 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.423 -11.296 -13.834 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.680 -10.824 -11.743 1.00 0.00 C ATOM 0 H VAL A 29 -2.861 -13.091 -14.630 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.786 -10.877 -13.161 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.861 -12.609 -12.972 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.405 -11.605 -13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.409 -11.878 -14.756 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.322 -10.237 -14.072 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.774 -11.130 -11.219 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.664 -9.745 -11.896 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.552 -11.093 -11.147 1.00 0.00 H new ATOM 477 N LYS A 30 -2.404 -10.057 -15.986 1.00 0.00 N ATOM 478 CA LYS A 30 -2.191 -8.982 -16.950 1.00 0.00 C ATOM 479 C LYS A 30 -3.458 -8.167 -17.245 1.00 0.00 C ATOM 480 O LYS A 30 -3.354 -7.045 -17.735 1.00 0.00 O ATOM 481 CB LYS A 30 -1.572 -9.618 -18.209 1.00 0.00 C ATOM 482 CG LYS A 30 -1.007 -8.591 -19.199 1.00 0.00 C ATOM 483 CD LYS A 30 -0.321 -9.284 -20.386 1.00 0.00 C ATOM 484 CE LYS A 30 0.279 -8.282 -21.386 1.00 0.00 C ATOM 485 NZ LYS A 30 -0.752 -7.513 -22.130 1.00 0.00 N ATOM 0 H LYS A 30 -2.181 -10.979 -16.361 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.509 -8.241 -16.532 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.775 -10.298 -17.908 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.329 -10.218 -18.713 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.811 -7.952 -19.563 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.292 -7.945 -18.689 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.468 -9.938 -20.014 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.044 -9.917 -20.900 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.926 -7.587 -20.851 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.907 -8.819 -22.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.287 -6.855 -22.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.355 -8.169 -22.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.336 -6.976 -21.458 1.00 0.00 H new ATOM 499 N GLU A 31 -4.643 -8.677 -16.915 1.00 0.00 N ATOM 500 CA GLU A 31 -5.883 -7.920 -16.940 1.00 0.00 C ATOM 501 C GLU A 31 -6.435 -7.811 -15.517 1.00 0.00 C ATOM 502 O GLU A 31 -6.778 -6.724 -15.058 1.00 0.00 O ATOM 503 CB GLU A 31 -6.851 -8.618 -17.907 1.00 0.00 C ATOM 504 CG GLU A 31 -8.197 -7.892 -17.989 1.00 0.00 C ATOM 505 CD GLU A 31 -9.114 -8.511 -19.059 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.887 -9.444 -18.744 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.090 -8.057 -20.226 1.00 0.00 O ATOM 0 H GLU A 31 -4.765 -9.645 -16.618 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.728 -6.902 -17.298 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.402 -8.665 -18.899 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.012 -9.646 -17.581 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.692 -7.932 -17.019 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.029 -6.840 -18.218 1.00 0.00 H new ATOM 514 N ARG A 32 -6.480 -8.926 -14.790 1.00 0.00 N ATOM 515 CA ARG A 32 -7.168 -9.043 -13.512 1.00 0.00 C ATOM 516 C ARG A 32 -6.501 -8.242 -12.396 1.00 0.00 C ATOM 517 O ARG A 32 -7.181 -7.887 -11.435 1.00 0.00 O ATOM 518 CB ARG A 32 -7.329 -10.530 -13.167 1.00 0.00 C ATOM 519 CG ARG A 32 -8.224 -10.741 -11.937 1.00 0.00 C ATOM 520 CD ARG A 32 -8.674 -12.202 -11.834 1.00 0.00 C ATOM 521 NE ARG A 32 -9.360 -12.473 -10.561 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.697 -13.687 -10.104 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.446 -14.781 -10.818 1.00 0.00 N ATOM 524 NH2 ARG A 32 -10.288 -13.800 -8.919 1.00 0.00 N ATOM 0 H ARG A 32 -6.027 -9.792 -15.083 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.157 -8.595 -13.608 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.756 -11.056 -14.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.348 -10.967 -12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.682 -10.459 -11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.097 -10.091 -12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.341 -12.436 -12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.808 -12.857 -11.927 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.599 -11.671 -9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.991 -14.703 -11.727 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.709 -15.698 -10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.482 -12.966 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.548 -14.720 -8.564 1.00 0.00 H new ATOM 538 N ILE A 33 -5.210 -7.906 -12.497 1.00 0.00 N ATOM 539 CA ILE A 33 -4.595 -7.020 -11.508 1.00 0.00 C ATOM 540 C ILE A 33 -5.310 -5.667 -11.531 1.00 0.00 C ATOM 541 O ILE A 33 -5.507 -5.074 -10.474 1.00 0.00 O ATOM 542 CB ILE A 33 -3.064 -6.899 -11.698 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.332 -6.407 -10.433 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.689 -5.930 -12.819 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.312 -7.466 -9.325 1.00 0.00 C ATOM 0 H ILE A 33 -4.585 -8.226 -13.236 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.719 -7.455 -10.516 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.751 -7.914 -11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.309 -6.134 -10.691 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.818 -5.505 -10.062 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.604 -5.882 -12.911 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.117 -6.278 -13.759 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.078 -4.938 -12.588 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.786 -7.073 -8.455 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.335 -7.720 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.801 -8.359 -9.685 1.00 0.00 H new ATOM 557 N ALA A 34 -5.770 -5.199 -12.699 1.00 0.00 N ATOM 558 CA ALA A 34 -6.506 -3.941 -12.791 1.00 0.00 C ATOM 559 C ALA A 34 -7.824 -3.986 -12.008 1.00 0.00 C ATOM 560 O ALA A 34 -8.305 -2.952 -11.552 1.00 0.00 O ATOM 561 CB ALA A 34 -6.780 -3.599 -14.256 1.00 0.00 C ATOM 0 H ALA A 34 -5.643 -5.677 -13.591 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.884 -3.165 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.329 -2.659 -14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.835 -3.500 -14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.372 -4.394 -14.711 1.00 0.00 H new ATOM 567 N THR A 35 -8.401 -5.173 -11.827 1.00 0.00 N ATOM 568 CA THR A 35 -9.616 -5.392 -11.052 1.00 0.00 C ATOM 569 C THR A 35 -9.343 -5.280 -9.536 1.00 0.00 C ATOM 570 O THR A 35 -10.292 -5.170 -8.756 1.00 0.00 O ATOM 571 CB THR A 35 -10.197 -6.774 -11.435 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.010 -7.044 -12.819 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.693 -6.914 -11.136 1.00 0.00 C ATOM 0 H THR A 35 -8.023 -6.032 -12.228 1.00 0.00 H new ATOM 0 HA THR A 35 -10.348 -4.619 -11.285 1.00 0.00 H new ATOM 0 HB THR A 35 -9.650 -7.487 -10.817 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.384 -7.924 -13.034 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.031 -7.908 -11.430 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.866 -6.773 -10.069 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.248 -6.161 -11.696 1.00 0.00 H new ATOM 581 N ALA A 36 -8.073 -5.284 -9.102 1.00 0.00 N ATOM 582 CA ALA A 36 -7.684 -5.399 -7.697 1.00 0.00 C ATOM 583 C ALA A 36 -6.735 -4.285 -7.230 1.00 0.00 C ATOM 584 O ALA A 36 -6.700 -3.990 -6.035 1.00 0.00 O ATOM 585 CB ALA A 36 -7.041 -6.777 -7.486 1.00 0.00 C ATOM 0 H ALA A 36 -7.276 -5.206 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.583 -5.290 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.743 -6.884 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.759 -7.556 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.163 -6.871 -8.125 1.00 0.00 H new ATOM 591 N VAL A 37 -5.978 -3.665 -8.140 1.00 0.00 N ATOM 592 CA VAL A 37 -4.887 -2.740 -7.825 1.00 0.00 C ATOM 593 C VAL A 37 -4.814 -1.558 -8.825 1.00 0.00 C ATOM 594 O VAL A 37 -3.711 -1.163 -9.215 1.00 0.00 O ATOM 595 CB VAL A 37 -3.540 -3.515 -7.746 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.600 -2.826 -6.750 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.627 -4.999 -7.357 1.00 0.00 C ATOM 0 H VAL A 37 -6.111 -3.797 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.089 -2.298 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.168 -3.493 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.659 -3.374 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.408 -1.804 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.064 -2.810 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.626 -5.429 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.082 -5.091 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.235 -5.532 -8.088 1.00 0.00 H new ATOM 607 N PRO A 38 -5.932 -0.947 -9.272 1.00 0.00 N ATOM 608 CA PRO A 38 -5.880 0.074 -10.320 1.00 0.00 C ATOM 609 C PRO A 38 -5.165 1.370 -9.882 1.00 0.00 C ATOM 610 O PRO A 38 -4.925 2.248 -10.711 1.00 0.00 O ATOM 611 CB PRO A 38 -7.340 0.339 -10.704 1.00 0.00 C ATOM 612 CG PRO A 38 -8.098 0.042 -9.411 1.00 0.00 C ATOM 613 CD PRO A 38 -7.303 -1.112 -8.803 1.00 0.00 C ATOM 0 HA PRO A 38 -5.289 -0.281 -11.164 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.490 1.368 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.666 -0.307 -11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.122 0.908 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.133 -0.239 -9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.349 -1.086 -7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.709 -2.074 -9.116 1.00 0.00 H new ATOM 621 N ASP A 39 -4.816 1.502 -8.596 1.00 0.00 N ATOM 622 CA ASP A 39 -3.958 2.559 -8.058 1.00 0.00 C ATOM 623 C ASP A 39 -2.562 2.584 -8.706 1.00 0.00 C ATOM 624 O ASP A 39 -1.945 3.647 -8.784 1.00 0.00 O ATOM 625 CB ASP A 39 -3.826 2.353 -6.544 1.00 0.00 C ATOM 626 CG ASP A 39 -2.782 3.296 -5.929 1.00 0.00 C ATOM 627 OD1 ASP A 39 -3.134 4.442 -5.563 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.616 2.870 -5.796 1.00 0.00 O ATOM 0 H ASP A 39 -5.136 0.852 -7.878 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.423 3.519 -8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.792 2.521 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.546 1.319 -6.341 1.00 0.00 H new ATOM 633 N LYS A 40 -2.077 1.434 -9.194 1.00 0.00 N ATOM 634 CA LYS A 40 -0.781 1.226 -9.859 1.00 0.00 C ATOM 635 C LYS A 40 0.477 1.503 -9.020 1.00 0.00 C ATOM 636 O LYS A 40 1.552 1.089 -9.458 1.00 0.00 O ATOM 637 CB LYS A 40 -0.716 1.967 -11.213 1.00 0.00 C ATOM 638 CG LYS A 40 -1.695 1.410 -12.256 1.00 0.00 C ATOM 639 CD LYS A 40 -1.293 1.830 -13.676 1.00 0.00 C ATOM 640 CE LYS A 40 -2.308 1.300 -14.698 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.888 1.572 -16.096 1.00 0.00 N ATOM 0 H LYS A 40 -2.613 0.568 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.754 0.149 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.930 3.024 -11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.299 1.903 -11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.721 0.322 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.702 1.767 -12.040 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.238 2.917 -13.739 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.299 1.446 -13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.433 0.226 -14.560 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.279 1.760 -14.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.641 1.274 -16.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.711 2.590 -16.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.018 1.043 -16.306 1.00 0.00 H new ATOM 655 N ASN A 41 0.393 2.121 -7.837 1.00 0.00 N ATOM 656 CA ASN A 41 1.557 2.468 -7.010 1.00 0.00 C ATOM 657 C ASN A 41 1.640 1.571 -5.767 1.00 0.00 C ATOM 658 O ASN A 41 2.511 1.764 -4.918 1.00 0.00 O ATOM 659 CB ASN A 41 1.505 3.960 -6.623 1.00 0.00 C ATOM 660 CG ASN A 41 2.889 4.599 -6.484 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.217 5.540 -7.202 1.00 0.00 O ATOM 662 ND2 ASN A 41 3.728 4.137 -5.574 1.00 0.00 N ATOM 0 H ASN A 41 -0.496 2.398 -7.420 1.00 0.00 H new ATOM 0 HA ASN A 41 2.461 2.296 -7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.936 4.504 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.968 4.065 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.649 4.562 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.455 3.356 -4.978 1.00 0.00 H new ATOM 669 N ASP A 42 0.742 0.593 -5.623 1.00 0.00 N ATOM 670 CA ASP A 42 0.876 -0.434 -4.595 1.00 0.00 C ATOM 671 C ASP A 42 2.115 -1.273 -4.888 1.00 0.00 C ATOM 672 O ASP A 42 2.434 -1.516 -6.058 1.00 0.00 O ATOM 673 CB ASP A 42 -0.326 -1.368 -4.590 1.00 0.00 C ATOM 674 CG ASP A 42 -0.331 -2.183 -3.301 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.836 -1.669 -2.279 1.00 0.00 O ATOM 676 OD2 ASP A 42 0.219 -3.300 -3.320 1.00 0.00 O ATOM 0 H ASP A 42 -0.087 0.494 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 42 0.951 0.064 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.248 -0.792 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.287 -2.033 -5.453 1.00 0.00 H new ATOM 681 N THR A 43 2.793 -1.750 -3.850 1.00 0.00 N ATOM 682 CA THR A 43 3.902 -2.665 -4.007 1.00 0.00 C ATOM 683 C THR A 43 3.385 -4.067 -4.346 1.00 0.00 C ATOM 684 O THR A 43 3.254 -4.919 -3.468 1.00 0.00 O ATOM 685 CB THR A 43 4.822 -2.628 -2.781 1.00 0.00 C ATOM 686 OG1 THR A 43 5.149 -1.294 -2.443 1.00 0.00 O ATOM 687 CG2 THR A 43 6.091 -3.403 -3.104 1.00 0.00 C ATOM 0 H THR A 43 2.585 -1.510 -2.881 1.00 0.00 H new ATOM 0 HA THR A 43 4.519 -2.349 -4.848 1.00 0.00 H new ATOM 0 HB THR A 43 4.310 -3.079 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.443 -0.917 -1.877 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.757 -3.386 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.836 -4.435 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.591 -2.944 -3.957 1.00 0.00 H new ATOM 695 N VAL A 44 3.083 -4.318 -5.619 1.00 0.00 N ATOM 696 CA VAL A 44 2.708 -5.650 -6.074 1.00 0.00 C ATOM 697 C VAL A 44 3.988 -6.472 -6.190 1.00 0.00 C ATOM 698 O VAL A 44 4.775 -6.291 -7.122 1.00 0.00 O ATOM 699 CB VAL A 44 1.915 -5.632 -7.396 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.421 -7.056 -7.705 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.691 -4.708 -7.309 1.00 0.00 C ATOM 0 H VAL A 44 3.092 -3.611 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 44 2.030 -6.101 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 44 2.578 -5.263 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.859 -7.051 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.276 -7.725 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.777 -7.401 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.157 -4.721 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.029 -5.055 -6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.017 -3.691 -7.090 1.00 0.00 H new ATOM 711 N LYS A 45 4.210 -7.364 -5.229 1.00 0.00 N ATOM 712 CA LYS A 45 5.239 -8.382 -5.335 1.00 0.00 C ATOM 713 C LYS A 45 4.683 -9.509 -6.197 1.00 0.00 C ATOM 714 O LYS A 45 3.509 -9.865 -6.059 1.00 0.00 O ATOM 715 CB LYS A 45 5.658 -8.838 -3.929 1.00 0.00 C ATOM 716 CG LYS A 45 6.629 -7.790 -3.368 1.00 0.00 C ATOM 717 CD LYS A 45 6.970 -7.984 -1.891 1.00 0.00 C ATOM 718 CE LYS A 45 8.025 -6.944 -1.485 1.00 0.00 C ATOM 719 NZ LYS A 45 8.223 -6.877 -0.018 1.00 0.00 N ATOM 0 H LYS A 45 3.680 -7.398 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 45 6.143 -8.004 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.786 -8.936 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.135 -9.817 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.551 -7.816 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.195 -6.799 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.075 -7.872 -1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.349 -8.992 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.973 -7.187 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.723 -5.963 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.035 -6.263 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.368 -6.489 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.405 -7.832 0.352 1.00 0.00 H new ATOM 733 N VAL A 46 5.513 -10.092 -7.057 1.00 0.00 N ATOM 734 CA VAL A 46 5.113 -11.191 -7.930 1.00 0.00 C ATOM 735 C VAL A 46 6.050 -12.369 -7.691 1.00 0.00 C ATOM 736 O VAL A 46 7.264 -12.179 -7.589 1.00 0.00 O ATOM 737 CB VAL A 46 5.060 -10.745 -9.407 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.930 -9.726 -9.629 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.375 -10.141 -9.932 1.00 0.00 C ATOM 0 H VAL A 46 6.488 -9.814 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 46 4.099 -11.510 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 46 4.876 -11.660 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.911 -9.426 -10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.975 -10.179 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.102 -8.850 -9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.252 -9.854 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.632 -9.261 -9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.173 -10.879 -9.850 1.00 0.00 H new ATOM 749 N TYR A 47 5.498 -13.579 -7.594 1.00 0.00 N ATOM 750 CA TYR A 47 6.264 -14.804 -7.396 1.00 0.00 C ATOM 751 C TYR A 47 5.599 -15.953 -8.159 1.00 0.00 C ATOM 752 O TYR A 47 4.459 -15.807 -8.594 1.00 0.00 O ATOM 753 CB TYR A 47 6.419 -15.099 -5.893 1.00 0.00 C ATOM 754 CG TYR A 47 5.204 -15.636 -5.154 1.00 0.00 C ATOM 755 CD1 TYR A 47 4.316 -14.750 -4.514 1.00 0.00 C ATOM 756 CD2 TYR A 47 5.026 -17.026 -5.008 1.00 0.00 C ATOM 757 CE1 TYR A 47 3.279 -15.249 -3.704 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.990 -17.531 -4.204 1.00 0.00 C ATOM 759 CZ TYR A 47 3.123 -16.644 -3.530 1.00 0.00 C ATOM 760 OH TYR A 47 2.123 -17.150 -2.750 1.00 0.00 O ATOM 0 H TYR A 47 4.492 -13.735 -7.652 1.00 0.00 H new ATOM 0 HA TYR A 47 7.270 -14.684 -7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.230 -15.817 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.733 -14.179 -5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.431 -13.684 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.690 -17.708 -5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.601 -14.566 -3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.857 -18.598 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 47 2.017 -18.107 -2.933 1.00 0.00 H new ATOM 770 N CYS A 48 6.273 -17.092 -8.332 1.00 0.00 N ATOM 771 CA CYS A 48 5.704 -18.291 -8.933 1.00 0.00 C ATOM 772 C CYS A 48 6.343 -19.518 -8.275 1.00 0.00 C ATOM 773 O CYS A 48 6.582 -19.501 -7.069 1.00 0.00 O ATOM 774 CB CYS A 48 5.819 -18.234 -10.472 1.00 0.00 C ATOM 775 SG CYS A 48 7.536 -18.363 -11.061 1.00 0.00 S ATOM 0 H CYS A 48 7.247 -17.205 -8.052 1.00 0.00 H new ATOM 0 HA CYS A 48 4.633 -18.363 -8.745 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.230 -19.043 -10.905 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.387 -17.299 -10.829 1.00 0.00 H new ATOM 0 HG CYS A 48 8.158 -17.244 -10.834 1.00 0.00 H new ATOM 781 N ASN A 49 6.628 -20.590 -9.023 1.00 0.00 N ATOM 782 CA ASN A 49 7.315 -21.757 -8.469 1.00 0.00 C ATOM 783 C ASN A 49 8.756 -21.413 -8.082 1.00 0.00 C ATOM 784 O ASN A 49 9.231 -21.869 -7.040 1.00 0.00 O ATOM 785 CB ASN A 49 7.293 -22.919 -9.476 1.00 0.00 C ATOM 786 CG ASN A 49 7.852 -24.199 -8.857 1.00 0.00 C ATOM 787 OD1 ASN A 49 9.061 -24.380 -8.741 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.994 -25.110 -8.436 1.00 0.00 N ATOM 0 H ASN A 49 6.393 -20.671 -10.012 1.00 0.00 H new ATOM 0 HA ASN A 49 6.787 -22.065 -7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.271 -23.092 -9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.878 -22.652 -10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.334 -25.972 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.991 -24.951 -8.536 1.00 0.00 H new ATOM 795 N ALA A 50 9.451 -20.603 -8.894 1.00 0.00 N ATOM 796 CA ALA A 50 10.888 -20.365 -8.741 1.00 0.00 C ATOM 797 C ALA A 50 11.313 -18.929 -9.067 1.00 0.00 C ATOM 798 O ALA A 50 12.144 -18.380 -8.344 1.00 0.00 O ATOM 799 CB ALA A 50 11.651 -21.345 -9.644 1.00 0.00 C ATOM 0 H ALA A 50 9.031 -20.097 -9.673 1.00 0.00 H new ATOM 0 HA ALA A 50 11.128 -20.523 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.723 -21.177 -9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.413 -22.368 -9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.359 -21.186 -10.682 1.00 0.00 H new ATOM 805 N GLY A 51 10.768 -18.312 -10.124 1.00 0.00 N ATOM 806 CA GLY A 51 11.128 -16.943 -10.494 1.00 0.00 C ATOM 807 C GLY A 51 10.906 -16.601 -11.963 1.00 0.00 C ATOM 808 O GLY A 51 10.677 -15.433 -12.269 1.00 0.00 O ATOM 0 H GLY A 51 10.076 -18.743 -10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.548 -16.251 -9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.178 -16.780 -10.252 1.00 0.00 H new ATOM 812 N ARG A 52 10.956 -17.581 -12.877 1.00 0.00 N ATOM 813 CA ARG A 52 10.945 -17.326 -14.324 1.00 0.00 C ATOM 814 C ARG A 52 9.745 -16.479 -14.742 1.00 0.00 C ATOM 815 O ARG A 52 9.924 -15.377 -15.265 1.00 0.00 O ATOM 816 CB ARG A 52 11.015 -18.665 -15.086 1.00 0.00 C ATOM 817 CG ARG A 52 10.992 -18.483 -16.614 1.00 0.00 C ATOM 818 CD ARG A 52 11.183 -19.828 -17.325 1.00 0.00 C ATOM 819 NE ARG A 52 11.156 -19.674 -18.791 1.00 0.00 N ATOM 820 CZ ARG A 52 11.260 -20.669 -19.682 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.404 -21.930 -19.279 1.00 0.00 N ATOM 822 NH2 ARG A 52 11.220 -20.395 -20.982 1.00 0.00 N ATOM 0 H ARG A 52 11.005 -18.570 -12.634 1.00 0.00 H new ATOM 0 HA ARG A 52 11.826 -16.740 -14.585 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.925 -19.193 -14.801 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.176 -19.293 -14.787 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.045 -18.037 -16.918 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.780 -17.792 -16.915 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.133 -20.269 -17.022 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.398 -20.518 -17.016 1.00 0.00 H new ATOM 0 HE ARG A 52 11.049 -18.729 -19.158 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.436 -22.147 -18.283 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.482 -22.679 -19.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.111 -19.431 -21.297 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.299 -21.149 -21.665 1.00 0.00 H new ATOM 836 N GLN A 53 8.525 -16.964 -14.495 1.00 0.00 N ATOM 837 CA GLN A 53 7.335 -16.223 -14.900 1.00 0.00 C ATOM 838 C GLN A 53 7.039 -15.057 -13.948 1.00 0.00 C ATOM 839 O GLN A 53 6.352 -14.124 -14.355 1.00 0.00 O ATOM 840 CB GLN A 53 6.157 -17.153 -15.240 1.00 0.00 C ATOM 841 CG GLN A 53 5.640 -18.091 -14.142 1.00 0.00 C ATOM 842 CD GLN A 53 4.689 -19.130 -14.747 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.126 -20.135 -15.301 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.382 -18.924 -14.687 1.00 0.00 N ATOM 0 H GLN A 53 8.340 -17.850 -14.025 1.00 0.00 H new ATOM 0 HA GLN A 53 7.536 -15.729 -15.851 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.324 -16.531 -15.567 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.451 -17.766 -16.092 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.477 -18.592 -13.656 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.123 -17.516 -13.374 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.018 -18.090 -14.227 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.740 -19.600 -15.101 1.00 0.00 H new ATOM 853 N SER A 54 7.615 -15.028 -12.739 1.00 0.00 N ATOM 854 CA SER A 54 7.601 -13.838 -11.888 1.00 0.00 C ATOM 855 C SER A 54 8.376 -12.703 -12.565 1.00 0.00 C ATOM 856 O SER A 54 7.984 -11.542 -12.474 1.00 0.00 O ATOM 857 CB SER A 54 8.254 -14.129 -10.530 1.00 0.00 C ATOM 858 OG SER A 54 8.032 -15.457 -10.113 1.00 0.00 O ATOM 0 H SER A 54 8.100 -15.825 -12.328 1.00 0.00 H new ATOM 0 HA SER A 54 6.561 -13.548 -11.735 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.326 -13.944 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.857 -13.443 -9.782 1.00 0.00 H new ATOM 0 HG SER A 54 8.575 -15.646 -9.320 1.00 0.00 H new ATOM 864 N GLY A 55 9.495 -13.018 -13.226 1.00 0.00 N ATOM 865 CA GLY A 55 10.314 -12.047 -13.939 1.00 0.00 C ATOM 866 C GLY A 55 9.515 -11.448 -15.085 1.00 0.00 C ATOM 867 O GLY A 55 9.380 -10.228 -15.172 1.00 0.00 O ATOM 0 H GLY A 55 9.858 -13.970 -13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.638 -11.260 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.214 -12.527 -14.322 1.00 0.00 H new ATOM 871 N GLN A 56 8.895 -12.308 -15.898 1.00 0.00 N ATOM 872 CA GLN A 56 8.004 -11.867 -16.965 1.00 0.00 C ATOM 873 C GLN A 56 6.860 -11.029 -16.395 1.00 0.00 C ATOM 874 O GLN A 56 6.564 -9.978 -16.954 1.00 0.00 O ATOM 875 CB GLN A 56 7.489 -13.074 -17.759 1.00 0.00 C ATOM 876 CG GLN A 56 8.573 -13.686 -18.663 1.00 0.00 C ATOM 877 CD GLN A 56 8.679 -12.965 -20.011 1.00 0.00 C ATOM 878 OE1 GLN A 56 8.075 -13.385 -20.996 1.00 0.00 O ATOM 879 NE2 GLN A 56 9.423 -11.874 -20.113 1.00 0.00 N ATOM 0 H GLN A 56 8.998 -13.321 -15.833 1.00 0.00 H new ATOM 0 HA GLN A 56 8.560 -11.232 -17.654 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.126 -13.833 -17.066 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.640 -12.768 -18.370 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.535 -13.643 -18.153 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.350 -14.739 -18.833 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.926 -11.522 -19.299 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.493 -11.386 -21.006 1.00 0.00 H new ATOM 888 N ALA A 57 6.261 -11.425 -15.267 1.00 0.00 N ATOM 889 CA ALA A 57 5.227 -10.632 -14.616 1.00 0.00 C ATOM 890 C ALA A 57 5.752 -9.252 -14.219 1.00 0.00 C ATOM 891 O ALA A 57 5.056 -8.265 -14.456 1.00 0.00 O ATOM 892 CB ALA A 57 4.665 -11.373 -13.402 1.00 0.00 C ATOM 0 H ALA A 57 6.481 -12.298 -14.787 1.00 0.00 H new ATOM 0 HA ALA A 57 4.418 -10.483 -15.331 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.894 -10.765 -12.929 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.233 -12.321 -13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.467 -11.562 -12.688 1.00 0.00 H new ATOM 898 N LYS A 58 6.968 -9.149 -13.661 1.00 0.00 N ATOM 899 CA LYS A 58 7.524 -7.844 -13.314 1.00 0.00 C ATOM 900 C LYS A 58 7.643 -6.978 -14.567 1.00 0.00 C ATOM 901 O LYS A 58 7.272 -5.805 -14.528 1.00 0.00 O ATOM 902 CB LYS A 58 8.850 -7.933 -12.537 1.00 0.00 C ATOM 903 CG LYS A 58 9.395 -6.514 -12.252 1.00 0.00 C ATOM 904 CD LYS A 58 10.406 -6.471 -11.102 1.00 0.00 C ATOM 905 CE LYS A 58 10.994 -5.058 -10.948 1.00 0.00 C ATOM 906 NZ LYS A 58 12.170 -5.021 -10.039 1.00 0.00 N ATOM 0 H LYS A 58 7.572 -9.942 -13.446 1.00 0.00 H new ATOM 0 HA LYS A 58 6.828 -7.365 -12.625 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.696 -8.467 -11.599 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.580 -8.503 -13.112 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.866 -6.125 -13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.561 -5.853 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.921 -6.772 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.208 -7.186 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.286 -4.682 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.224 -4.388 -10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.618 -4.084 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.861 -5.205 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.855 -5.748 -10.328 1.00 0.00 H new ATOM 920 N GLU A 59 8.133 -7.542 -15.670 1.00 0.00 N ATOM 921 CA GLU A 59 8.369 -6.802 -16.905 1.00 0.00 C ATOM 922 C GLU A 59 7.029 -6.320 -17.461 1.00 0.00 C ATOM 923 O GLU A 59 6.870 -5.145 -17.788 1.00 0.00 O ATOM 924 CB GLU A 59 9.093 -7.697 -17.928 1.00 0.00 C ATOM 925 CG GLU A 59 10.544 -8.013 -17.536 1.00 0.00 C ATOM 926 CD GLU A 59 11.177 -9.042 -18.491 1.00 0.00 C ATOM 927 OE1 GLU A 59 10.897 -10.257 -18.366 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.974 -8.642 -19.372 1.00 0.00 O ATOM 0 H GLU A 59 8.378 -8.530 -15.730 1.00 0.00 H new ATOM 0 HA GLU A 59 9.003 -5.939 -16.702 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.542 -8.631 -18.038 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.085 -7.205 -18.901 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.133 -7.096 -17.547 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.571 -8.397 -16.516 1.00 0.00 H new ATOM 935 N ILE A 60 6.051 -7.224 -17.517 1.00 0.00 N ATOM 936 CA ILE A 60 4.716 -6.990 -18.039 1.00 0.00 C ATOM 937 C ILE A 60 4.025 -5.884 -17.237 1.00 0.00 C ATOM 938 O ILE A 60 3.531 -4.923 -17.826 1.00 0.00 O ATOM 939 CB ILE A 60 3.971 -8.350 -18.045 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.444 -9.176 -19.266 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.446 -8.204 -18.041 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.042 -10.656 -19.229 1.00 0.00 C ATOM 0 H ILE A 60 6.179 -8.179 -17.184 1.00 0.00 H new ATOM 0 HA ILE A 60 4.731 -6.622 -19.065 1.00 0.00 H new ATOM 0 HB ILE A 60 4.219 -8.869 -17.119 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.039 -8.725 -20.172 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.530 -9.109 -19.335 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.986 -9.192 -18.046 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.135 -7.663 -17.148 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.131 -7.653 -18.927 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.415 -11.157 -20.123 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.470 -11.127 -18.344 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.956 -10.737 -19.194 1.00 0.00 H new ATOM 954 N LEU A 61 4.006 -5.980 -15.905 1.00 0.00 N ATOM 955 CA LEU A 61 3.302 -4.999 -15.089 1.00 0.00 C ATOM 956 C LEU A 61 4.018 -3.645 -15.131 1.00 0.00 C ATOM 957 O LEU A 61 3.356 -2.605 -15.126 1.00 0.00 O ATOM 958 CB LEU A 61 3.129 -5.505 -13.650 1.00 0.00 C ATOM 959 CG LEU A 61 2.209 -6.734 -13.484 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.005 -7.014 -11.990 1.00 0.00 C ATOM 961 CD2 LEU A 61 0.848 -6.573 -14.168 1.00 0.00 C ATOM 0 H LEU A 61 4.467 -6.721 -15.377 1.00 0.00 H new ATOM 0 HA LEU A 61 2.305 -4.857 -15.506 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.112 -5.752 -13.250 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.733 -4.691 -13.042 1.00 0.00 H new ATOM 0 HG LEU A 61 2.705 -7.572 -13.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.356 -7.881 -11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.969 -7.214 -11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.545 -6.147 -11.517 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.253 -7.473 -14.011 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.327 -5.715 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.994 -6.416 -15.237 1.00 0.00 H new ATOM 973 N SER A 62 5.351 -3.632 -15.227 1.00 0.00 N ATOM 974 CA SER A 62 6.102 -2.393 -15.400 1.00 0.00 C ATOM 975 C SER A 62 5.769 -1.743 -16.751 1.00 0.00 C ATOM 976 O SER A 62 5.592 -0.526 -16.811 1.00 0.00 O ATOM 977 CB SER A 62 7.607 -2.655 -15.267 1.00 0.00 C ATOM 978 OG SER A 62 7.907 -3.275 -14.028 1.00 0.00 O ATOM 0 H SER A 62 5.930 -4.471 -15.187 1.00 0.00 H new ATOM 0 HA SER A 62 5.810 -1.697 -14.613 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.943 -3.290 -16.086 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.152 -1.715 -15.349 1.00 0.00 H new ATOM 0 HG SER A 62 7.522 -4.176 -14.011 1.00 0.00 H new ATOM 984 N GLU A 63 5.618 -2.527 -17.824 1.00 0.00 N ATOM 985 CA GLU A 63 5.221 -2.029 -19.140 1.00 0.00 C ATOM 986 C GLU A 63 3.790 -1.465 -19.092 1.00 0.00 C ATOM 987 O GLU A 63 3.506 -0.437 -19.708 1.00 0.00 O ATOM 988 CB GLU A 63 5.360 -3.162 -20.174 1.00 0.00 C ATOM 989 CG GLU A 63 5.211 -2.702 -21.633 1.00 0.00 C ATOM 990 CD GLU A 63 6.373 -1.800 -22.090 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.425 -2.325 -22.523 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.242 -0.556 -22.047 1.00 0.00 O ATOM 0 H GLU A 63 5.770 -3.535 -17.800 1.00 0.00 H new ATOM 0 HA GLU A 63 5.876 -1.211 -19.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.335 -3.634 -20.051 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.608 -3.924 -19.966 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.157 -3.576 -22.282 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.271 -2.162 -21.746 1.00 0.00 H new ATOM 999 N MET A 64 2.905 -2.084 -18.302 1.00 0.00 N ATOM 1000 CA MET A 64 1.559 -1.586 -18.005 1.00 0.00 C ATOM 1001 C MET A 64 1.573 -0.333 -17.110 1.00 0.00 C ATOM 1002 O MET A 64 0.509 0.206 -16.795 1.00 0.00 O ATOM 1003 CB MET A 64 0.727 -2.703 -17.356 1.00 0.00 C ATOM 1004 CG MET A 64 0.391 -3.835 -18.333 1.00 0.00 C ATOM 1005 SD MET A 64 -0.117 -5.391 -17.552 1.00 0.00 S ATOM 1006 CE MET A 64 -1.427 -4.842 -16.424 1.00 0.00 C ATOM 0 H MET A 64 3.112 -2.969 -17.840 1.00 0.00 H new ATOM 0 HA MET A 64 1.104 -1.288 -18.949 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.275 -3.112 -16.507 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.198 -2.280 -16.964 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.408 -3.499 -18.994 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.263 -4.027 -18.958 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.989 -5.707 -16.071 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.982 -4.327 -15.573 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.098 -4.162 -16.949 1.00 0.00 H new ATOM 1016 N GLY A 65 2.745 0.149 -16.689 1.00 0.00 N ATOM 1017 CA GLY A 65 2.894 1.408 -15.976 1.00 0.00 C ATOM 1018 C GLY A 65 2.619 1.283 -14.480 1.00 0.00 C ATOM 1019 O GLY A 65 2.364 2.300 -13.837 1.00 0.00 O ATOM 0 H GLY A 65 3.629 -0.337 -16.840 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.906 1.785 -16.123 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.214 2.144 -16.404 1.00 0.00 H new ATOM 1023 N TYR A 66 2.637 0.071 -13.913 1.00 0.00 N ATOM 1024 CA TYR A 66 2.598 -0.106 -12.466 1.00 0.00 C ATOM 1025 C TYR A 66 3.966 0.346 -11.950 1.00 0.00 C ATOM 1026 O TYR A 66 5.001 -0.161 -12.388 1.00 0.00 O ATOM 1027 CB TYR A 66 2.221 -1.548 -12.090 1.00 0.00 C ATOM 1028 CG TYR A 66 0.756 -1.895 -12.331 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.218 -1.883 -13.635 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -0.087 -2.199 -11.243 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -1.157 -2.080 -13.846 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.461 -2.425 -11.449 1.00 0.00 C ATOM 1033 CZ TYR A 66 -2.010 -2.329 -12.747 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.355 -2.452 -12.928 1.00 0.00 O ATOM 0 H TYR A 66 2.678 -0.801 -14.441 1.00 0.00 H new ATOM 0 HA TYR A 66 1.820 0.494 -11.993 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.844 -2.235 -12.662 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.452 -1.709 -11.037 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.870 -1.721 -14.480 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.324 -2.259 -10.246 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.562 -2.041 -14.847 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.097 -2.673 -10.612 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.787 -2.622 -12.065 1.00 0.00 H new ATOM 1044 N THR A 67 3.978 1.337 -11.062 1.00 0.00 N ATOM 1045 CA THR A 67 5.175 2.079 -10.681 1.00 0.00 C ATOM 1046 C THR A 67 5.952 1.446 -9.523 1.00 0.00 C ATOM 1047 O THR A 67 7.075 1.878 -9.250 1.00 0.00 O ATOM 1048 CB THR A 67 4.760 3.527 -10.354 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.649 3.534 -9.478 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.347 4.288 -11.618 1.00 0.00 C ATOM 0 H THR A 67 3.138 1.653 -10.578 1.00 0.00 H new ATOM 0 HA THR A 67 5.868 2.058 -11.522 1.00 0.00 H new ATOM 0 HB THR A 67 5.623 4.008 -9.895 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.387 4.459 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.060 5.306 -11.353 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.184 4.317 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.502 3.783 -12.087 1.00 0.00 H new ATOM 1058 N HIS A 68 5.394 0.434 -8.846 1.00 0.00 N ATOM 1059 CA HIS A 68 5.959 -0.092 -7.602 1.00 0.00 C ATOM 1060 C HIS A 68 5.999 -1.622 -7.573 1.00 0.00 C ATOM 1061 O HIS A 68 6.041 -2.241 -6.512 1.00 0.00 O ATOM 1062 CB HIS A 68 5.220 0.541 -6.405 1.00 0.00 C ATOM 1063 CG HIS A 68 6.141 1.162 -5.389 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.405 0.704 -4.117 1.00 0.00 N ATOM 1065 CD2 HIS A 68 6.834 2.330 -5.551 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.245 1.572 -3.531 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.542 2.586 -4.368 1.00 0.00 N ATOM 0 H HIS A 68 4.542 -0.040 -9.146 1.00 0.00 H new ATOM 0 HA HIS A 68 7.008 0.195 -7.533 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.533 1.303 -6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.616 -0.223 -5.916 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.029 -0.145 -3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.836 2.948 -6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.630 1.472 -2.527 1.00 0.00 H new ATOM 1075 N VAL A 69 5.997 -2.241 -8.749 1.00 0.00 N ATOM 1076 CA VAL A 69 6.130 -3.689 -8.888 1.00 0.00 C ATOM 1077 C VAL A 69 7.480 -4.106 -8.296 1.00 0.00 C ATOM 1078 O VAL A 69 8.473 -3.387 -8.457 1.00 0.00 O ATOM 1079 CB VAL A 69 6.029 -4.099 -10.372 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.020 -5.625 -10.540 1.00 0.00 C ATOM 1081 CG2 VAL A 69 4.763 -3.541 -11.035 1.00 0.00 C ATOM 0 H VAL A 69 5.903 -1.750 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 69 5.324 -4.193 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 69 6.911 -3.679 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.948 -5.874 -11.599 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.941 -6.041 -10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.165 -6.044 -10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.731 -3.853 -12.079 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.883 -3.920 -10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.774 -2.452 -10.982 1.00 0.00 H new ATOM 1091 N GLU A 70 7.547 -5.283 -7.673 1.00 0.00 N ATOM 1092 CA GLU A 70 8.812 -5.876 -7.276 1.00 0.00 C ATOM 1093 C GLU A 70 8.774 -7.377 -7.539 1.00 0.00 C ATOM 1094 O GLU A 70 7.719 -8.008 -7.476 1.00 0.00 O ATOM 1095 CB GLU A 70 9.130 -5.546 -5.808 1.00 0.00 C ATOM 1096 CG GLU A 70 10.555 -5.929 -5.381 1.00 0.00 C ATOM 1097 CD GLU A 70 11.650 -5.325 -6.280 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.849 -5.841 -7.406 1.00 0.00 O ATOM 1099 OE2 GLU A 70 12.310 -4.343 -5.870 1.00 0.00 O ATOM 0 H GLU A 70 6.729 -5.844 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 70 9.620 -5.452 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.987 -4.478 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.417 -6.064 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.718 -5.602 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.648 -7.015 -5.388 1.00 0.00 H new ATOM 1106 N ASN A 71 9.930 -7.951 -7.859 1.00 0.00 N ATOM 1107 CA ASN A 71 10.048 -9.379 -8.088 1.00 0.00 C ATOM 1108 C ASN A 71 10.333 -10.061 -6.757 1.00 0.00 C ATOM 1109 O ASN A 71 11.185 -9.588 -6.001 1.00 0.00 O ATOM 1110 CB ASN A 71 11.185 -9.667 -9.067 1.00 0.00 C ATOM 1111 CG ASN A 71 11.125 -11.128 -9.459 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.750 -11.987 -8.848 1.00 0.00 O ATOM 1113 ND2 ASN A 71 10.306 -11.450 -10.442 1.00 0.00 N ATOM 0 H ASN A 71 10.805 -7.438 -7.965 1.00 0.00 H new ATOM 0 HA ASN A 71 9.120 -9.759 -8.515 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.094 -9.034 -9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.147 -9.437 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.185 -12.428 -10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.794 -10.721 -10.939 1.00 0.00 H new ATOM 1120 N ALA A 72 9.658 -11.177 -6.487 1.00 0.00 N ATOM 1121 CA ALA A 72 9.759 -11.892 -5.224 1.00 0.00 C ATOM 1122 C ALA A 72 10.093 -13.381 -5.426 1.00 0.00 C ATOM 1123 O ALA A 72 9.879 -14.188 -4.520 1.00 0.00 O ATOM 1124 CB ALA A 72 8.481 -11.660 -4.410 1.00 0.00 C ATOM 0 H ALA A 72 9.018 -11.613 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 72 10.598 -11.495 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.551 -12.194 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.360 -10.594 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.621 -12.027 -4.970 1.00 0.00 H new ATOM 1130 N GLY A 73 10.641 -13.752 -6.590 1.00 0.00 N ATOM 1131 CA GLY A 73 11.196 -15.081 -6.820 1.00 0.00 C ATOM 1132 C GLY A 73 10.097 -16.133 -6.887 1.00 0.00 C ATOM 1133 O GLY A 73 9.249 -16.075 -7.783 1.00 0.00 O ATOM 0 H GLY A 73 10.710 -13.133 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.764 -15.085 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.893 -15.330 -6.020 1.00 0.00 H new ATOM 1137 N GLY A 74 10.096 -17.097 -5.966 1.00 0.00 N ATOM 1138 CA GLY A 74 9.140 -18.188 -5.984 1.00 0.00 C ATOM 1139 C GLY A 74 8.874 -18.748 -4.597 1.00 0.00 C ATOM 1140 O GLY A 74 9.656 -18.543 -3.668 1.00 0.00 O ATOM 0 H GLY A 74 10.759 -17.138 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.203 -17.839 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.513 -18.984 -6.629 1.00 0.00 H new ATOM 1144 N LEU A 75 7.755 -19.469 -4.487 1.00 0.00 N ATOM 1145 CA LEU A 75 7.131 -19.943 -3.254 1.00 0.00 C ATOM 1146 C LEU A 75 8.145 -20.557 -2.291 1.00 0.00 C ATOM 1147 O LEU A 75 8.158 -20.207 -1.111 1.00 0.00 O ATOM 1148 CB LEU A 75 6.007 -20.928 -3.652 1.00 0.00 C ATOM 1149 CG LEU A 75 5.147 -21.557 -2.533 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.837 -22.723 -1.818 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.636 -20.529 -1.518 1.00 0.00 C ATOM 0 H LEU A 75 7.228 -19.755 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 75 6.704 -19.106 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.335 -20.406 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.463 -21.741 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 75 4.281 -21.965 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.177 -23.117 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.062 -23.509 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.763 -22.373 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.039 -21.034 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.483 -20.034 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.022 -19.788 -2.029 1.00 0.00 H new ATOM 1163 N LYS A 76 9.011 -21.445 -2.791 1.00 0.00 N ATOM 1164 CA LYS A 76 9.952 -22.193 -1.956 1.00 0.00 C ATOM 1165 C LYS A 76 10.979 -21.305 -1.243 1.00 0.00 C ATOM 1166 O LYS A 76 11.587 -21.760 -0.273 1.00 0.00 O ATOM 1167 CB LYS A 76 10.631 -23.302 -2.781 1.00 0.00 C ATOM 1168 CG LYS A 76 11.594 -22.787 -3.870 1.00 0.00 C ATOM 1169 CD LYS A 76 12.301 -23.937 -4.609 1.00 0.00 C ATOM 1170 CE LYS A 76 11.383 -24.749 -5.540 1.00 0.00 C ATOM 1171 NZ LYS A 76 11.034 -24.007 -6.776 1.00 0.00 N ATOM 0 H LYS A 76 9.078 -21.664 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 76 9.370 -22.654 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.183 -23.955 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.860 -23.910 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.039 -22.183 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.340 -22.136 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.122 -23.526 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.741 -24.610 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.876 -25.684 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.469 -25.012 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.348 -24.559 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.616 -23.089 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.893 -23.853 -7.342 1.00 0.00 H new ATOM 1185 N ASP A 77 11.196 -20.071 -1.705 1.00 0.00 N ATOM 1186 CA ASP A 77 12.257 -19.192 -1.210 1.00 0.00 C ATOM 1187 C ASP A 77 11.721 -18.102 -0.276 1.00 0.00 C ATOM 1188 O ASP A 77 12.488 -17.535 0.503 1.00 0.00 O ATOM 1189 CB ASP A 77 12.980 -18.557 -2.406 1.00 0.00 C ATOM 1190 CG ASP A 77 14.148 -17.660 -1.962 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.163 -18.189 -1.454 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.084 -16.427 -2.170 1.00 0.00 O ATOM 0 H ASP A 77 10.632 -19.649 -2.443 1.00 0.00 H new ATOM 0 HA ASP A 77 12.952 -19.796 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.355 -19.343 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.271 -17.968 -2.987 1.00 0.00 H new ATOM 1197 N ILE A 78 10.417 -17.802 -0.328 1.00 0.00 N ATOM 1198 CA ILE A 78 9.824 -16.703 0.434 1.00 0.00 C ATOM 1199 C ILE A 78 9.852 -17.071 1.923 1.00 0.00 C ATOM 1200 O ILE A 78 9.301 -18.100 2.328 1.00 0.00 O ATOM 1201 CB ILE A 78 8.400 -16.375 -0.079 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.440 -15.958 -1.567 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.786 -15.228 0.747 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.063 -15.874 -2.229 1.00 0.00 C ATOM 0 H ILE A 78 9.746 -18.316 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 78 10.404 -15.791 0.295 1.00 0.00 H new ATOM 0 HB ILE A 78 7.789 -17.271 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.930 -14.988 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.053 -16.672 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.785 -15.008 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.727 -15.525 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.411 -14.339 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.178 -15.576 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.577 -16.848 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.452 -15.138 -1.706 1.00 0.00 H new ATOM 1216 N ALA A 79 10.457 -16.206 2.740 1.00 0.00 N ATOM 1217 CA ALA A 79 10.580 -16.353 4.187 1.00 0.00 C ATOM 1218 C ALA A 79 9.296 -15.883 4.898 1.00 0.00 C ATOM 1219 O ALA A 79 9.337 -15.006 5.764 1.00 0.00 O ATOM 1220 CB ALA A 79 11.834 -15.600 4.660 1.00 0.00 C ATOM 0 H ALA A 79 10.891 -15.350 2.395 1.00 0.00 H new ATOM 0 HA ALA A 79 10.699 -17.405 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.935 -15.704 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.715 -16.017 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.743 -14.544 4.404 1.00 0.00 H new ATOM 1226 N MET A 80 8.146 -16.438 4.508 1.00 0.00 N ATOM 1227 CA MET A 80 6.834 -16.164 5.096 1.00 0.00 C ATOM 1228 C MET A 80 6.095 -17.494 5.280 1.00 0.00 C ATOM 1229 O MET A 80 6.389 -18.447 4.545 1.00 0.00 O ATOM 1230 CB MET A 80 6.016 -15.233 4.184 1.00 0.00 C ATOM 1231 CG MET A 80 6.579 -13.810 4.111 1.00 0.00 C ATOM 1232 SD MET A 80 5.645 -12.681 3.039 1.00 0.00 S ATOM 1233 CE MET A 80 4.091 -12.508 3.961 1.00 0.00 C ATOM 0 H MET A 80 8.102 -17.115 3.746 1.00 0.00 H new ATOM 0 HA MET A 80 6.963 -15.669 6.058 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.984 -15.656 3.180 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.989 -15.192 4.546 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.608 -13.393 5.118 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.608 -13.859 3.756 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.485 -11.723 3.508 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.544 -13.451 3.933 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.309 -12.246 4.996 1.00 0.00 H new ATOM 1243 N PRO A 81 5.146 -17.585 6.231 1.00 0.00 N ATOM 1244 CA PRO A 81 4.385 -18.804 6.473 1.00 0.00 C ATOM 1245 C PRO A 81 3.432 -19.096 5.306 1.00 0.00 C ATOM 1246 O PRO A 81 3.053 -18.201 4.542 1.00 0.00 O ATOM 1247 CB PRO A 81 3.669 -18.573 7.806 1.00 0.00 C ATOM 1248 CG PRO A 81 3.470 -17.061 7.840 1.00 0.00 C ATOM 1249 CD PRO A 81 4.742 -16.545 7.172 1.00 0.00 C ATOM 0 HA PRO A 81 5.015 -19.691 6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.719 -19.105 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.267 -18.919 8.649 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.575 -16.757 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.367 -16.688 8.859 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.559 -15.602 6.657 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.523 -16.359 7.909 1.00 0.00 H new ATOM 1257 N LYS A 82 3.026 -20.361 5.170 1.00 0.00 N ATOM 1258 CA LYS A 82 2.344 -20.875 3.979 1.00 0.00 C ATOM 1259 C LYS A 82 1.121 -21.704 4.372 1.00 0.00 C ATOM 1260 O LYS A 82 0.921 -21.984 5.557 1.00 0.00 O ATOM 1261 CB LYS A 82 3.350 -21.689 3.136 1.00 0.00 C ATOM 1262 CG LYS A 82 4.559 -20.851 2.678 1.00 0.00 C ATOM 1263 CD LYS A 82 5.638 -21.684 1.976 1.00 0.00 C ATOM 1264 CE LYS A 82 6.855 -20.820 1.595 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.609 -20.313 2.771 1.00 0.00 N ATOM 0 H LYS A 82 3.163 -21.067 5.894 1.00 0.00 H new ATOM 0 HA LYS A 82 1.978 -20.045 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.703 -22.539 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.841 -22.093 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.215 -20.068 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.998 -20.354 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.956 -22.496 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.220 -22.142 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.526 -21.407 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.518 -19.974 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.384 -19.699 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.969 -19.770 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.002 -21.115 3.303 1.00 0.00 H new ATOM 1279 N VAL A 83 0.287 -22.043 3.393 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.009 -22.702 3.546 1.00 0.00 C ATOM 1281 C VAL A 83 -1.321 -23.462 2.258 1.00 0.00 C ATOM 1282 O VAL A 83 -0.901 -23.044 1.178 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.131 -21.662 3.813 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -2.371 -21.480 5.317 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -1.919 -20.319 3.098 1.00 0.00 C ATOM 0 H VAL A 83 0.509 -21.855 2.415 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.965 -23.384 4.395 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.037 -22.078 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.162 -20.746 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.668 -22.432 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.454 -21.132 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.744 -19.647 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.981 -19.874 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.881 -20.482 2.021 1.00 0.00 H new ATOM 1295 N LYS A 84 -2.062 -24.569 2.364 1.00 0.00 N ATOM 1296 CA LYS A 84 -2.633 -25.254 1.203 1.00 0.00 C ATOM 1297 C LYS A 84 -3.842 -24.473 0.668 1.00 0.00 C ATOM 1298 O LYS A 84 -4.276 -23.501 1.292 1.00 0.00 O ATOM 1299 CB LYS A 84 -2.920 -26.736 1.530 1.00 0.00 C ATOM 1300 CG LYS A 84 -3.748 -27.059 2.790 1.00 0.00 C ATOM 1301 CD LYS A 84 -5.217 -26.626 2.712 1.00 0.00 C ATOM 1302 CE LYS A 84 -5.999 -27.161 3.919 1.00 0.00 C ATOM 1303 NZ LYS A 84 -7.430 -26.770 3.872 1.00 0.00 N ATOM 0 H LYS A 84 -2.282 -25.014 3.255 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.909 -25.275 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.434 -27.172 0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.962 -27.248 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.708 -28.133 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.284 -26.574 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.281 -25.538 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.663 -26.996 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.921 -28.248 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.550 -26.784 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.922 -27.152 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.507 -25.733 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.866 -27.151 3.008 1.00 0.00 H new ATOM 1317 N GLY A 85 -4.364 -24.890 -0.489 1.00 0.00 N ATOM 1318 CA GLY A 85 -5.527 -24.299 -1.145 1.00 0.00 C ATOM 1319 C GLY A 85 -6.692 -24.102 -0.180 1.00 0.00 C ATOM 1320 O GLY A 85 -7.136 -25.099 0.424 1.00 0.00 O ATOM 1321 OXT GLY A 85 -7.180 -22.960 -0.060 1.00 0.00 O ATOM 0 H GLY A 85 -3.973 -25.675 -1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.249 -23.338 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.843 -24.940 -1.968 1.00 0.00 H new TER 1325 GLY A 85