USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 926 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 104 TYR OH : rot 166:sc= 0.139 USER MOD Set 1.2: A 109 HIS : no HD1:sc= 0.365 K(o=0.5,f=-2.6) USER MOD Set 2.1: A 72 CYS SG : rot 79:sc= 0.921 USER MOD Set 2.2: A 90 CYS SG : rot 30:sc= -1.13! USER MOD Set 3.1: A 62 CYS SG : rot 170:sc= 0.821 USER MOD Set 3.2: A 76 CYS SG : rot -46:sc= 0.394 USER MOD Set 4.1: A 44 ASN : amide:sc= 0.332 K(o=1.8,f=1.3) USER MOD Set 4.2: A 48 SER OG : rot -160:sc= 0.598 USER MOD Set 4.3: A 57 ASN : amide:sc= 0.886 K(o=1.8,f=-4.9!) USER MOD Set 5.1: A 28 CYS SG : rot 160:sc= 0.627 USER MOD Set 5.2: A 32 HIS : no HD1:sc= -0.015 X(o=0.43,f=0.21) USER MOD Set 5.3: A 110 CYS SG : rot -56:sc= -0.183 USER MOD Set 6.1: A 7 CYS SG : rot 180:sc= 0.434 USER MOD Set 6.2: A 120 CYS SG : rot -58:sc= 0.123 USER MOD Set 7.1: A 1 GLY N :NH3+ -175:sc= 0.57 (180deg=0.374) USER MOD Set 7.2: A 39 SER OG : rot -152:sc= 0.218 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -40:sc= 0.158 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.15) USER MOD Single : A 16 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-2.8) USER MOD Single : A 21 ASN : amide:sc= 0.0103 K(o=0.01,f=-2.2!) USER MOD Single : A 23 MET CE :methyl 148:sc= -0.164 (180deg=-3.84!) USER MOD Single : A 25 ASN : amide:sc= 0.133 K(o=0.13,f=-1.2) USER MOD Single : A 34 SER OG : rot -114:sc= 0.523 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 159:sc= 1.02 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.959 K(o=0.96,f=-0.0035) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 46 ASN : amide:sc= -0.0324 X(o=-0.032,f=-0.061) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.24 K(o=-1.2,f=-7.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.345 USER MOD Single : A 63 SER OG : rot -144:sc= 0.49 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 0.922 (180deg=0.781) USER MOD Single : A 73 ASN : amide:sc= -0.0326 K(o=-0.033,f=-0.77) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 1.16 (180deg=0.89) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0.889 (180deg=0.877) USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.995) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=-0.055) USER MOD Single : A 107 LYS NZ :NH3+ 169:sc= 1.13 (180deg=1.03) USER MOD Single : A 108 ASN : amide:sc= -0.0612 X(o=-0.061,f=-0.34) USER MOD Single : A 111 GLN : amide:sc= 1.3 K(o=1.3,f=-0.013) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 75:sc= 1.2 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.366 -8.112 10.046 1.00 0.00 N ATOM 2 CA GLY A 1 -7.733 -7.482 8.763 1.00 0.00 C ATOM 3 C GLY A 1 -8.496 -8.436 7.864 1.00 0.00 C ATOM 4 O GLY A 1 -9.229 -9.301 8.349 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.921 -7.405 10.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.220 -8.487 10.506 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.697 -8.889 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.341 -6.598 8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.831 -7.145 8.253 1.00 0.00 H new ATOM 10 N LYS A 2 -8.332 -8.283 6.547 1.00 0.00 N ATOM 11 CA LYS A 2 -8.989 -9.070 5.495 1.00 0.00 C ATOM 12 C LYS A 2 -8.222 -9.024 4.157 1.00 0.00 C ATOM 13 O LYS A 2 -7.377 -8.146 3.939 1.00 0.00 O ATOM 14 CB LYS A 2 -10.447 -8.591 5.331 1.00 0.00 C ATOM 15 CG LYS A 2 -10.571 -7.189 4.703 1.00 0.00 C ATOM 16 CD LYS A 2 -12.027 -6.733 4.527 1.00 0.00 C ATOM 17 CE LYS A 2 -12.770 -7.566 3.474 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.151 -7.064 3.252 1.00 0.00 N ATOM 0 H LYS A 2 -7.707 -7.573 6.165 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.989 -10.116 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.988 -9.306 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.931 -8.586 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.045 -6.469 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.076 -7.188 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.548 -6.808 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.045 -5.683 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.218 -7.541 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.808 -8.607 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.623 -7.651 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.685 -7.111 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.113 -6.078 2.923 1.00 0.00 H new ATOM 32 N THR A 3 -8.577 -9.928 3.235 1.00 0.00 N ATOM 33 CA THR A 3 -8.031 -9.996 1.870 1.00 0.00 C ATOM 34 C THR A 3 -9.083 -9.538 0.863 1.00 0.00 C ATOM 35 O THR A 3 -10.224 -9.999 0.899 1.00 0.00 O ATOM 36 CB THR A 3 -7.527 -11.408 1.537 1.00 0.00 C ATOM 37 OG1 THR A 3 -6.837 -11.964 2.639 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.574 -11.386 0.341 1.00 0.00 C ATOM 0 H THR A 3 -9.270 -10.653 3.421 1.00 0.00 H new ATOM 0 HA THR A 3 -7.174 -9.325 1.810 1.00 0.00 H new ATOM 0 HB THR A 3 -8.402 -12.012 1.298 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.287 -11.273 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.233 -12.399 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.093 -10.987 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.715 -10.756 0.572 1.00 0.00 H new ATOM 46 N PHE A 4 -8.692 -8.628 -0.028 1.00 0.00 N ATOM 47 CA PHE A 4 -9.517 -8.062 -1.098 1.00 0.00 C ATOM 48 C PHE A 4 -9.315 -8.834 -2.414 1.00 0.00 C ATOM 49 O PHE A 4 -8.287 -9.485 -2.626 1.00 0.00 O ATOM 50 CB PHE A 4 -9.177 -6.561 -1.268 1.00 0.00 C ATOM 51 CG PHE A 4 -9.658 -5.667 -0.132 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.024 -5.710 1.127 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.749 -4.794 -0.326 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.511 -4.931 2.193 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.237 -4.021 0.743 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.628 -4.100 2.006 1.00 0.00 C ATOM 0 H PHE A 4 -7.746 -8.246 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.569 -8.156 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.096 -6.456 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.615 -6.207 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.161 -6.343 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.211 -4.719 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.025 -4.972 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.082 -3.365 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.018 -3.523 2.832 1.00 0.00 H new ATOM 66 N THR A 5 -10.290 -8.722 -3.321 1.00 0.00 N ATOM 67 CA THR A 5 -10.201 -9.171 -4.724 1.00 0.00 C ATOM 68 C THR A 5 -9.887 -7.964 -5.602 1.00 0.00 C ATOM 69 O THR A 5 -10.135 -6.837 -5.177 1.00 0.00 O ATOM 70 CB THR A 5 -11.472 -9.919 -5.147 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.221 -10.483 -6.414 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.723 -9.043 -5.247 1.00 0.00 C ATOM 0 H THR A 5 -11.193 -8.304 -3.098 1.00 0.00 H new ATOM 0 HA THR A 5 -9.392 -9.892 -4.842 1.00 0.00 H new ATOM 0 HB THR A 5 -11.684 -10.659 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.014 -10.972 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.572 -9.655 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.930 -8.592 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.559 -8.257 -5.984 1.00 0.00 H new ATOM 80 N ARG A 6 -9.347 -8.156 -6.811 1.00 0.00 N ATOM 81 CA ARG A 6 -8.916 -7.043 -7.676 1.00 0.00 C ATOM 82 C ARG A 6 -10.056 -6.050 -7.946 1.00 0.00 C ATOM 83 O ARG A 6 -9.876 -4.846 -7.765 1.00 0.00 O ATOM 84 CB ARG A 6 -8.308 -7.583 -8.981 1.00 0.00 C ATOM 85 CG ARG A 6 -7.608 -6.466 -9.779 1.00 0.00 C ATOM 86 CD ARG A 6 -6.936 -6.994 -11.050 1.00 0.00 C ATOM 87 NE ARG A 6 -5.834 -7.921 -10.735 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.480 -9.013 -11.396 1.00 0.00 C ATOM 89 NH1 ARG A 6 -6.132 -9.446 -12.457 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.431 -9.687 -10.987 1.00 0.00 N ATOM 0 H ARG A 6 -9.196 -9.079 -7.218 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.143 -6.487 -7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.592 -8.372 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.092 -8.032 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.338 -5.702 -10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.860 -5.985 -9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.675 -7.503 -11.669 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.553 -6.157 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.278 -7.695 -9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.945 -8.934 -12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.823 -10.293 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.905 -9.367 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.142 -10.531 -11.482 1.00 0.00 H new ATOM 104 N CYS A 7 -11.255 -6.538 -8.277 1.00 0.00 N ATOM 105 CA CYS A 7 -12.440 -5.693 -8.509 1.00 0.00 C ATOM 106 C CYS A 7 -12.862 -4.889 -7.268 1.00 0.00 C ATOM 107 O CYS A 7 -13.281 -3.739 -7.396 1.00 0.00 O ATOM 108 CB CYS A 7 -13.599 -6.564 -9.012 1.00 0.00 C ATOM 109 SG CYS A 7 -13.246 -7.498 -10.526 1.00 0.00 S ATOM 0 H CYS A 7 -11.436 -7.535 -8.393 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.171 -4.957 -9.267 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.876 -7.266 -8.225 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.465 -5.926 -9.189 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.290 -8.198 -10.858 1.00 0.00 H new ATOM 114 N GLY A 8 -12.671 -5.452 -6.069 1.00 0.00 N ATOM 115 CA GLY A 8 -12.906 -4.771 -4.791 1.00 0.00 C ATOM 116 C GLY A 8 -11.825 -3.732 -4.506 1.00 0.00 C ATOM 117 O GLY A 8 -12.149 -2.600 -4.166 1.00 0.00 O ATOM 0 H GLY A 8 -12.343 -6.411 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.882 -4.287 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.929 -5.505 -3.985 1.00 0.00 H new ATOM 121 N LEU A 9 -10.550 -4.080 -4.706 1.00 0.00 N ATOM 122 CA LEU A 9 -9.400 -3.197 -4.531 1.00 0.00 C ATOM 123 C LEU A 9 -9.445 -2.000 -5.488 1.00 0.00 C ATOM 124 O LEU A 9 -9.337 -0.874 -5.015 1.00 0.00 O ATOM 125 CB LEU A 9 -8.124 -4.046 -4.687 1.00 0.00 C ATOM 126 CG LEU A 9 -6.834 -3.248 -4.433 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.796 -2.681 -3.009 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.613 -4.138 -4.681 1.00 0.00 C ATOM 0 H LEU A 9 -10.284 -5.018 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.414 -2.755 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.167 -4.886 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.094 -4.464 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.815 -2.407 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.871 -2.123 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.647 -2.017 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.843 -3.499 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.703 -3.566 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.644 -4.994 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.621 -4.488 -5.713 1.00 0.00 H new ATOM 140 N VAL A 10 -9.680 -2.215 -6.787 1.00 0.00 N ATOM 141 CA VAL A 10 -9.863 -1.131 -7.779 1.00 0.00 C ATOM 142 C VAL A 10 -10.904 -0.113 -7.282 1.00 0.00 C ATOM 143 O VAL A 10 -10.668 1.091 -7.309 1.00 0.00 O ATOM 144 CB VAL A 10 -10.281 -1.693 -9.163 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.784 -0.601 -10.121 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.119 -2.420 -9.857 1.00 0.00 C ATOM 0 H VAL A 10 -9.750 -3.149 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.904 -0.626 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.092 -2.389 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.062 -1.052 -11.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.653 -0.107 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.994 0.132 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.452 -2.799 -10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.292 -1.726 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.787 -3.252 -9.236 1.00 0.00 H new ATOM 156 N HIS A 11 -12.035 -0.596 -6.763 1.00 0.00 N ATOM 157 CA HIS A 11 -13.114 0.241 -6.220 1.00 0.00 C ATOM 158 C HIS A 11 -12.732 0.950 -4.907 1.00 0.00 C ATOM 159 O HIS A 11 -13.001 2.143 -4.755 1.00 0.00 O ATOM 160 CB HIS A 11 -14.368 -0.618 -6.010 1.00 0.00 C ATOM 161 CG HIS A 11 -15.089 -1.052 -7.263 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.342 -1.672 -7.267 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.678 -0.880 -8.557 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.649 -1.866 -8.559 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.672 -1.400 -9.356 1.00 0.00 N ATOM 0 H HIS A 11 -12.233 -1.595 -6.706 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.308 1.028 -6.949 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.084 -1.509 -5.450 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.067 -0.060 -5.387 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.755 -0.426 -8.887 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.557 -2.333 -8.910 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.668 -1.427 -10.376 1.00 0.00 H new ATOM 173 N GLU A 12 -12.079 0.245 -3.982 1.00 0.00 N ATOM 174 CA GLU A 12 -11.643 0.770 -2.684 1.00 0.00 C ATOM 175 C GLU A 12 -10.629 1.910 -2.857 1.00 0.00 C ATOM 176 O GLU A 12 -10.710 2.929 -2.179 1.00 0.00 O ATOM 177 CB GLU A 12 -11.056 -0.387 -1.854 1.00 0.00 C ATOM 178 CG GLU A 12 -11.261 -0.254 -0.342 1.00 0.00 C ATOM 179 CD GLU A 12 -12.744 -0.209 0.069 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.519 -1.113 -0.319 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.145 0.730 0.796 1.00 0.00 O ATOM 0 H GLU A 12 -11.831 -0.735 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.499 1.192 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.507 -1.322 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.988 -0.458 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.778 -1.093 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.767 0.653 0.006 1.00 0.00 H new ATOM 188 N LEU A 13 -9.723 1.792 -3.829 1.00 0.00 N ATOM 189 CA LEU A 13 -8.738 2.827 -4.156 1.00 0.00 C ATOM 190 C LEU A 13 -9.360 3.999 -4.924 1.00 0.00 C ATOM 191 O LEU A 13 -9.066 5.152 -4.617 1.00 0.00 O ATOM 192 CB LEU A 13 -7.605 2.180 -4.957 1.00 0.00 C ATOM 193 CG LEU A 13 -6.861 1.060 -4.218 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.889 0.394 -5.192 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.099 1.551 -2.986 1.00 0.00 C ATOM 0 H LEU A 13 -9.651 0.964 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.347 3.248 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.016 1.777 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.888 2.952 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.608 0.352 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.352 -0.405 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.444 -0.022 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.177 1.133 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.596 0.709 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.360 2.293 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.798 2.001 -2.281 1.00 0.00 H new ATOM 207 N ARG A 14 -10.266 3.729 -5.872 1.00 0.00 N ATOM 208 CA ARG A 14 -11.054 4.781 -6.551 1.00 0.00 C ATOM 209 C ARG A 14 -11.826 5.653 -5.541 1.00 0.00 C ATOM 210 O ARG A 14 -11.844 6.880 -5.658 1.00 0.00 O ATOM 211 CB ARG A 14 -12.037 4.167 -7.563 1.00 0.00 C ATOM 212 CG ARG A 14 -11.380 3.767 -8.892 1.00 0.00 C ATOM 213 CD ARG A 14 -12.365 2.931 -9.716 1.00 0.00 C ATOM 214 NE ARG A 14 -11.831 2.579 -11.041 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.418 1.758 -11.908 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.606 1.243 -11.685 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.821 1.419 -13.028 1.00 0.00 N ATOM 0 H ARG A 14 -10.477 2.784 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.346 5.416 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.502 3.287 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.835 4.883 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.088 4.658 -9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.471 3.196 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.607 2.019 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.295 3.486 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.942 2.997 -11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.107 1.469 -10.826 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.027 0.617 -12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.894 1.786 -13.243 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.284 0.789 -13.682 1.00 0.00 H new ATOM 231 N LYS A 15 -12.411 5.032 -4.513 1.00 0.00 N ATOM 232 CA LYS A 15 -13.070 5.671 -3.373 1.00 0.00 C ATOM 233 C LYS A 15 -12.078 6.452 -2.480 1.00 0.00 C ATOM 234 O LYS A 15 -12.388 7.560 -2.039 1.00 0.00 O ATOM 235 CB LYS A 15 -13.786 4.521 -2.640 1.00 0.00 C ATOM 236 CG LYS A 15 -14.334 4.845 -1.250 1.00 0.00 C ATOM 237 CD LYS A 15 -14.794 3.543 -0.576 1.00 0.00 C ATOM 238 CE LYS A 15 -15.072 3.744 0.918 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.214 2.437 1.608 1.00 0.00 N ATOM 0 H LYS A 15 -12.438 4.014 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.779 6.438 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.612 4.179 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.090 3.687 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.567 5.330 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.167 5.543 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.696 3.178 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.029 2.777 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.260 4.313 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.982 4.330 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.198 2.584 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.116 1.997 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.428 1.813 1.335 1.00 0.00 H new ATOM 253 N HIS A 16 -10.873 5.918 -2.257 1.00 0.00 N ATOM 254 CA HIS A 16 -9.845 6.503 -1.379 1.00 0.00 C ATOM 255 C HIS A 16 -8.943 7.573 -2.046 1.00 0.00 C ATOM 256 O HIS A 16 -8.094 8.163 -1.371 1.00 0.00 O ATOM 257 CB HIS A 16 -9.029 5.361 -0.744 1.00 0.00 C ATOM 258 CG HIS A 16 -9.811 4.501 0.224 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.154 4.652 0.595 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.295 3.436 0.895 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.407 3.644 1.444 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.314 2.898 1.647 1.00 0.00 N ATOM 0 H HIS A 16 -10.574 5.045 -2.691 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.366 7.067 -0.606 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.634 4.727 -1.538 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.173 5.788 -0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.277 3.080 0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.367 3.459 1.903 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.248 2.078 2.251 1.00 0.00 H new ATOM 270 N GLY A 17 -9.138 7.861 -3.341 1.00 0.00 N ATOM 271 CA GLY A 17 -8.480 8.962 -4.064 1.00 0.00 C ATOM 272 C GLY A 17 -7.257 8.543 -4.881 1.00 0.00 C ATOM 273 O GLY A 17 -6.260 9.268 -4.902 1.00 0.00 O ATOM 0 H GLY A 17 -9.773 7.322 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.206 9.426 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.177 9.723 -3.344 1.00 0.00 H new ATOM 277 N PHE A 18 -7.316 7.387 -5.547 1.00 0.00 N ATOM 278 CA PHE A 18 -6.294 6.893 -6.474 1.00 0.00 C ATOM 279 C PHE A 18 -6.783 7.074 -7.923 1.00 0.00 C ATOM 280 O PHE A 18 -7.959 6.849 -8.222 1.00 0.00 O ATOM 281 CB PHE A 18 -5.994 5.421 -6.165 1.00 0.00 C ATOM 282 CG PHE A 18 -5.277 5.158 -4.848 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.899 5.431 -3.615 1.00 0.00 C ATOM 284 CD2 PHE A 18 -3.978 4.619 -4.853 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.217 5.211 -2.411 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.300 4.372 -3.646 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.919 4.671 -2.422 1.00 0.00 C ATOM 0 H PHE A 18 -8.104 6.747 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.372 7.462 -6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.934 4.870 -6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.389 5.014 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.909 5.813 -3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.497 4.393 -5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.690 5.457 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.305 3.953 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.400 4.487 -1.493 1.00 0.00 H new ATOM 297 N GLU A 19 -5.889 7.492 -8.823 1.00 0.00 N ATOM 298 CA GLU A 19 -6.241 7.865 -10.199 1.00 0.00 C ATOM 299 C GLU A 19 -6.486 6.632 -11.082 1.00 0.00 C ATOM 300 O GLU A 19 -5.717 5.669 -11.046 1.00 0.00 O ATOM 301 CB GLU A 19 -5.136 8.725 -10.832 1.00 0.00 C ATOM 302 CG GLU A 19 -4.771 9.998 -10.061 1.00 0.00 C ATOM 303 CD GLU A 19 -5.965 10.954 -9.908 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.354 11.605 -10.906 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.513 11.069 -8.788 1.00 0.00 O ATOM 0 H GLU A 19 -4.894 7.582 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.165 8.440 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.239 8.114 -10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.449 9.007 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.398 9.727 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.961 10.513 -10.578 1.00 0.00 H new ATOM 312 N GLU A 20 -7.526 6.674 -11.922 1.00 0.00 N ATOM 313 CA GLU A 20 -7.915 5.553 -12.791 1.00 0.00 C ATOM 314 C GLU A 20 -6.830 5.142 -13.807 1.00 0.00 C ATOM 315 O GLU A 20 -6.753 3.970 -14.179 1.00 0.00 O ATOM 316 CB GLU A 20 -9.254 5.854 -13.488 1.00 0.00 C ATOM 317 CG GLU A 20 -9.206 7.028 -14.479 1.00 0.00 C ATOM 318 CD GLU A 20 -10.592 7.291 -15.086 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.917 6.700 -16.144 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.363 8.097 -14.515 1.00 0.00 O ATOM 0 H GLU A 20 -8.127 7.492 -12.020 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.038 4.688 -12.139 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.582 4.960 -14.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.005 6.067 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.852 7.924 -13.970 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.492 6.809 -15.273 1.00 0.00 H new ATOM 327 N ASN A 21 -5.947 6.066 -14.211 1.00 0.00 N ATOM 328 CA ASN A 21 -4.812 5.782 -15.098 1.00 0.00 C ATOM 329 C ASN A 21 -3.584 5.202 -14.365 1.00 0.00 C ATOM 330 O ASN A 21 -2.702 4.632 -15.011 1.00 0.00 O ATOM 331 CB ASN A 21 -4.446 7.043 -15.901 1.00 0.00 C ATOM 332 CG ASN A 21 -3.733 8.118 -15.082 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.090 8.404 -13.948 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.699 8.735 -15.623 1.00 0.00 N ATOM 0 H ASN A 21 -6.002 7.044 -13.927 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.133 4.998 -15.784 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.809 6.756 -16.737 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.356 7.468 -16.325 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.198 9.450 -15.095 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.401 8.497 -16.569 1.00 0.00 H new ATOM 341 N LEU A 22 -3.533 5.307 -13.029 1.00 0.00 N ATOM 342 CA LEU A 22 -2.509 4.686 -12.175 1.00 0.00 C ATOM 343 C LEU A 22 -3.008 3.395 -11.510 1.00 0.00 C ATOM 344 O LEU A 22 -2.197 2.627 -10.999 1.00 0.00 O ATOM 345 CB LEU A 22 -2.046 5.694 -11.106 1.00 0.00 C ATOM 346 CG LEU A 22 -1.478 7.030 -11.623 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.005 7.869 -10.426 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.325 6.854 -12.623 1.00 0.00 C ATOM 0 H LEU A 22 -4.221 5.841 -12.498 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.669 4.411 -12.812 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.891 5.912 -10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.284 5.214 -10.491 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.279 7.536 -12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.601 8.817 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.847 8.061 -9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.231 7.326 -9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.028 7.833 -12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.492 6.313 -12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.676 6.291 -13.488 1.00 0.00 H new ATOM 360 N MET A 23 -4.319 3.131 -11.522 1.00 0.00 N ATOM 361 CA MET A 23 -4.966 2.003 -10.838 1.00 0.00 C ATOM 362 C MET A 23 -4.311 0.649 -11.162 1.00 0.00 C ATOM 363 O MET A 23 -4.000 -0.111 -10.243 1.00 0.00 O ATOM 364 CB MET A 23 -6.466 2.039 -11.185 1.00 0.00 C ATOM 365 CG MET A 23 -7.354 1.232 -10.227 1.00 0.00 C ATOM 366 SD MET A 23 -7.248 1.727 -8.493 1.00 0.00 S ATOM 367 CE MET A 23 -7.697 3.471 -8.663 1.00 0.00 C ATOM 0 H MET A 23 -4.984 3.718 -12.026 1.00 0.00 H new ATOM 0 HA MET A 23 -4.837 2.109 -9.761 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.802 3.076 -11.187 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.602 1.658 -12.197 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.390 1.322 -10.553 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.085 0.179 -10.306 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.225 3.800 -7.768 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.794 4.068 -8.791 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.342 3.597 -9.532 1.00 0.00 H new ATOM 377 N ARG A 24 -3.996 0.384 -12.440 1.00 0.00 N ATOM 378 CA ARG A 24 -3.262 -0.817 -12.879 1.00 0.00 C ATOM 379 C ARG A 24 -1.910 -0.975 -12.166 1.00 0.00 C ATOM 380 O ARG A 24 -1.619 -2.045 -11.630 1.00 0.00 O ATOM 381 CB ARG A 24 -3.036 -0.793 -14.403 1.00 0.00 C ATOM 382 CG ARG A 24 -4.342 -0.710 -15.206 1.00 0.00 C ATOM 383 CD ARG A 24 -4.119 -0.842 -16.717 1.00 0.00 C ATOM 384 NE ARG A 24 -3.773 -2.223 -17.094 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.434 -2.656 -18.302 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.338 -1.844 -19.334 1.00 0.00 N ATOM 387 NH2 ARG A 24 -3.185 -3.932 -18.487 1.00 0.00 N ATOM 0 H ARG A 24 -4.247 1.005 -13.209 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.883 -1.672 -12.612 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.406 0.059 -14.657 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.492 -1.691 -14.698 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.019 -1.497 -14.873 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.832 0.241 -14.997 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.020 -0.534 -17.247 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.321 -0.168 -17.028 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.796 -2.919 -16.349 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.527 -0.848 -19.219 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.075 -2.211 -20.249 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.253 -4.583 -17.705 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.924 -4.272 -19.413 1.00 0.00 H new ATOM 401 N ASN A 25 -1.108 0.094 -12.102 1.00 0.00 N ATOM 402 CA ASN A 25 0.171 0.111 -11.381 1.00 0.00 C ATOM 403 C ASN A 25 -0.049 -0.157 -9.886 1.00 0.00 C ATOM 404 O ASN A 25 0.630 -1.007 -9.313 1.00 0.00 O ATOM 405 CB ASN A 25 0.900 1.460 -11.546 1.00 0.00 C ATOM 406 CG ASN A 25 1.378 1.783 -12.959 1.00 0.00 C ATOM 407 OD1 ASN A 25 0.768 1.427 -13.958 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.494 2.480 -13.079 1.00 0.00 N ATOM 0 H ASN A 25 -1.331 0.981 -12.554 1.00 0.00 H new ATOM 0 HA ASN A 25 0.790 -0.676 -11.811 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.232 2.256 -11.217 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.762 1.471 -10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.847 2.722 -14.005 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.002 2.777 -12.246 1.00 0.00 H new ATOM 415 N TRP A 26 -1.030 0.512 -9.269 1.00 0.00 N ATOM 416 CA TRP A 26 -1.321 0.401 -7.840 1.00 0.00 C ATOM 417 C TRP A 26 -1.809 -0.997 -7.442 1.00 0.00 C ATOM 418 O TRP A 26 -1.240 -1.585 -6.522 1.00 0.00 O ATOM 419 CB TRP A 26 -2.319 1.493 -7.436 1.00 0.00 C ATOM 420 CG TRP A 26 -1.724 2.852 -7.232 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.996 3.962 -7.954 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.801 3.281 -6.183 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.335 5.047 -7.409 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.619 4.693 -6.284 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.127 2.619 -5.133 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.138 5.419 -5.351 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.659 3.332 -4.209 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.779 4.731 -4.306 1.00 0.00 C ATOM 0 H TRP A 26 -1.652 1.155 -9.759 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.391 0.551 -7.292 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.089 1.562 -8.204 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.814 1.188 -6.514 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.633 3.996 -8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.372 5.992 -7.791 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.216 1.547 -5.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.227 6.492 -5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.173 2.803 -3.421 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.363 5.275 -3.578 1.00 0.00 H new ATOM 439 N VAL A 27 -2.792 -1.573 -8.145 1.00 0.00 N ATOM 440 CA VAL A 27 -3.277 -2.925 -7.798 1.00 0.00 C ATOM 441 C VAL A 27 -2.205 -3.988 -8.030 1.00 0.00 C ATOM 442 O VAL A 27 -2.103 -4.917 -7.239 1.00 0.00 O ATOM 443 CB VAL A 27 -4.598 -3.350 -8.477 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.696 -2.313 -8.220 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.465 -3.649 -9.977 1.00 0.00 C ATOM 0 H VAL A 27 -3.262 -1.141 -8.941 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.502 -2.853 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.879 -4.296 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.618 -2.631 -8.707 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.865 -2.220 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.387 -1.349 -8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.436 -3.940 -10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.111 -2.758 -10.496 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.754 -4.462 -10.124 1.00 0.00 H new ATOM 455 N CYS A 28 -1.353 -3.828 -9.050 1.00 0.00 N ATOM 456 CA CYS A 28 -0.268 -4.775 -9.322 1.00 0.00 C ATOM 457 C CYS A 28 0.860 -4.670 -8.283 1.00 0.00 C ATOM 458 O CYS A 28 1.294 -5.686 -7.747 1.00 0.00 O ATOM 459 CB CYS A 28 0.209 -4.560 -10.758 1.00 0.00 C ATOM 460 SG CYS A 28 1.200 -5.928 -11.417 1.00 0.00 S ATOM 0 H CYS A 28 -1.396 -3.046 -9.704 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.633 -5.798 -9.229 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.659 -4.411 -11.400 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.798 -3.644 -10.801 1.00 0.00 H new ATOM 0 HG CYS A 28 1.201 -5.877 -12.716 1.00 0.00 H new ATOM 465 N LEU A 29 1.239 -3.445 -7.896 1.00 0.00 N ATOM 466 CA LEU A 29 2.141 -3.145 -6.776 1.00 0.00 C ATOM 467 C LEU A 29 1.625 -3.794 -5.488 1.00 0.00 C ATOM 468 O LEU A 29 2.347 -4.563 -4.856 1.00 0.00 O ATOM 469 CB LEU A 29 2.268 -1.608 -6.697 1.00 0.00 C ATOM 470 CG LEU A 29 3.129 -0.984 -5.578 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.304 0.505 -5.911 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.497 -1.078 -4.178 1.00 0.00 C ATOM 0 H LEU A 29 0.914 -2.604 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 29 3.136 -3.566 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.666 -1.261 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.262 -1.199 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 29 4.067 -1.538 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.909 0.982 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.800 0.606 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.327 0.986 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.162 -0.618 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.539 -0.558 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.342 -2.125 -3.919 1.00 0.00 H new ATOM 484 N VAL A 30 0.364 -3.542 -5.133 1.00 0.00 N ATOM 485 CA VAL A 30 -0.280 -4.112 -3.936 1.00 0.00 C ATOM 486 C VAL A 30 -0.323 -5.647 -3.994 1.00 0.00 C ATOM 487 O VAL A 30 -0.023 -6.304 -2.997 1.00 0.00 O ATOM 488 CB VAL A 30 -1.692 -3.513 -3.751 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.555 -4.314 -2.770 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.597 -2.059 -3.258 1.00 0.00 C ATOM 0 H VAL A 30 -0.250 -2.930 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 30 0.321 -3.845 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.172 -3.554 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.535 -3.845 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.672 -5.334 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.072 -4.334 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.600 -1.651 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.072 -2.032 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.051 -1.462 -3.989 1.00 0.00 H new ATOM 500 N GLU A 31 -0.640 -6.230 -5.156 1.00 0.00 N ATOM 501 CA GLU A 31 -0.644 -7.684 -5.344 1.00 0.00 C ATOM 502 C GLU A 31 0.748 -8.320 -5.189 1.00 0.00 C ATOM 503 O GLU A 31 0.851 -9.446 -4.709 1.00 0.00 O ATOM 504 CB GLU A 31 -1.236 -8.050 -6.716 1.00 0.00 C ATOM 505 CG GLU A 31 -2.769 -7.988 -6.711 1.00 0.00 C ATOM 506 CD GLU A 31 -3.407 -8.120 -8.098 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.748 -8.544 -9.072 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.626 -7.865 -8.202 1.00 0.00 O ATOM 0 H GLU A 31 -0.901 -5.707 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.270 -8.092 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.847 -7.369 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.914 -9.053 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.152 -8.782 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.082 -7.043 -6.268 1.00 0.00 H new ATOM 515 N HIS A 32 1.821 -7.601 -5.519 1.00 0.00 N ATOM 516 CA HIS A 32 3.196 -8.068 -5.324 1.00 0.00 C ATOM 517 C HIS A 32 3.763 -7.798 -3.911 1.00 0.00 C ATOM 518 O HIS A 32 4.692 -8.490 -3.487 1.00 0.00 O ATOM 519 CB HIS A 32 4.073 -7.451 -6.414 1.00 0.00 C ATOM 520 CG HIS A 32 3.881 -8.101 -7.759 1.00 0.00 C ATOM 521 ND1 HIS A 32 3.994 -9.468 -8.034 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.589 -7.444 -8.912 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.750 -9.591 -9.351 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.504 -8.391 -9.906 1.00 0.00 N ATOM 0 H HIS A 32 1.761 -6.671 -5.933 1.00 0.00 H new ATOM 0 HA HIS A 32 3.194 -9.155 -5.406 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.849 -6.387 -6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.120 -7.535 -6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.450 -6.379 -9.026 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.751 -10.527 -9.890 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.292 -8.215 -10.888 1.00 0.00 H new ATOM 532 N GLU A 33 3.209 -6.825 -3.176 1.00 0.00 N ATOM 533 CA GLU A 33 3.652 -6.461 -1.823 1.00 0.00 C ATOM 534 C GLU A 33 2.883 -7.230 -0.727 1.00 0.00 C ATOM 535 O GLU A 33 3.506 -7.927 0.076 1.00 0.00 O ATOM 536 CB GLU A 33 3.559 -4.935 -1.627 1.00 0.00 C ATOM 537 CG GLU A 33 4.604 -4.133 -2.426 1.00 0.00 C ATOM 538 CD GLU A 33 6.057 -4.269 -1.928 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.317 -4.892 -0.873 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.959 -3.728 -2.609 1.00 0.00 O ATOM 0 H GLU A 33 2.428 -6.260 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 33 4.696 -6.758 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.562 -4.602 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.675 -4.708 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.563 -4.450 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.326 -3.079 -2.402 1.00 0.00 H new ATOM 547 N SER A 34 1.545 -7.172 -0.697 1.00 0.00 N ATOM 548 CA SER A 34 0.715 -7.851 0.325 1.00 0.00 C ATOM 549 C SER A 34 -0.120 -9.013 -0.220 1.00 0.00 C ATOM 550 O SER A 34 -0.636 -9.814 0.557 1.00 0.00 O ATOM 551 CB SER A 34 -0.306 -6.891 0.962 1.00 0.00 C ATOM 552 OG SER A 34 -1.153 -6.291 -0.009 1.00 0.00 O ATOM 0 H SER A 34 0.998 -6.651 -1.382 1.00 0.00 H new ATOM 0 HA SER A 34 1.450 -8.217 1.042 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.913 -7.436 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.223 -6.113 1.512 1.00 0.00 H new ATOM 0 HG SER A 34 -0.977 -5.328 -0.046 1.00 0.00 H new ATOM 558 N SER A 35 -0.288 -9.089 -1.541 1.00 0.00 N ATOM 559 CA SER A 35 -1.275 -9.949 -2.212 1.00 0.00 C ATOM 560 C SER A 35 -2.722 -9.493 -1.915 1.00 0.00 C ATOM 561 O SER A 35 -3.641 -10.315 -1.905 1.00 0.00 O ATOM 562 CB SER A 35 -1.080 -11.451 -1.932 1.00 0.00 C ATOM 563 OG SER A 35 0.252 -11.887 -2.177 1.00 0.00 O ATOM 0 H SER A 35 0.271 -8.541 -2.195 1.00 0.00 H new ATOM 0 HA SER A 35 -1.097 -9.826 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.341 -11.660 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.766 -12.025 -2.555 1.00 0.00 H new ATOM 0 HG SER A 35 0.324 -12.845 -1.983 1.00 0.00 H new ATOM 569 N ARG A 36 -2.929 -8.185 -1.656 1.00 0.00 N ATOM 570 CA ARG A 36 -4.223 -7.547 -1.365 1.00 0.00 C ATOM 571 C ARG A 36 -4.727 -7.866 0.055 1.00 0.00 C ATOM 572 O ARG A 36 -5.934 -7.904 0.286 1.00 0.00 O ATOM 573 CB ARG A 36 -5.296 -7.851 -2.437 1.00 0.00 C ATOM 574 CG ARG A 36 -4.796 -7.791 -3.891 1.00 0.00 C ATOM 575 CD ARG A 36 -5.945 -7.864 -4.905 1.00 0.00 C ATOM 576 NE ARG A 36 -6.574 -9.195 -4.880 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.571 -10.130 -5.821 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.060 -9.946 -7.020 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.109 -11.299 -5.554 1.00 0.00 N ATOM 0 H ARG A 36 -2.159 -7.516 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.041 -6.473 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.704 -8.844 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.116 -7.142 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.238 -6.867 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.104 -8.614 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.688 -7.100 -4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.568 -7.653 -5.906 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.079 -9.429 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.639 -9.049 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.085 -10.700 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.519 -11.474 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.117 -12.031 -6.264 1.00 0.00 H new ATOM 593 N ASP A 37 -3.825 -8.092 1.013 1.00 0.00 N ATOM 594 CA ASP A 37 -4.138 -8.537 2.381 1.00 0.00 C ATOM 595 C ASP A 37 -3.708 -7.505 3.433 1.00 0.00 C ATOM 596 O ASP A 37 -2.512 -7.242 3.589 1.00 0.00 O ATOM 597 CB ASP A 37 -3.446 -9.884 2.646 1.00 0.00 C ATOM 598 CG ASP A 37 -3.778 -10.456 4.032 1.00 0.00 C ATOM 599 OD1 ASP A 37 -4.939 -10.302 4.478 1.00 0.00 O ATOM 600 OD2 ASP A 37 -2.878 -11.066 4.654 1.00 0.00 O ATOM 0 H ASP A 37 -2.825 -7.968 0.857 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.219 -8.650 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.746 -10.599 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.367 -9.757 2.558 1.00 0.00 H new ATOM 605 N THR A 38 -4.670 -6.917 4.165 1.00 0.00 N ATOM 606 CA THR A 38 -4.346 -5.922 5.204 1.00 0.00 C ATOM 607 C THR A 38 -3.647 -6.563 6.395 1.00 0.00 C ATOM 608 O THR A 38 -2.861 -5.906 7.063 1.00 0.00 O ATOM 609 CB THR A 38 -5.553 -5.128 5.718 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.534 -5.972 6.258 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.223 -4.283 4.646 1.00 0.00 C ATOM 0 H THR A 38 -5.666 -7.110 4.059 1.00 0.00 H new ATOM 0 HA THR A 38 -3.680 -5.220 4.702 1.00 0.00 H new ATOM 0 HB THR A 38 -5.141 -4.470 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.109 -5.460 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.068 -3.749 5.079 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.506 -3.565 4.247 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.576 -4.928 3.842 1.00 0.00 H new ATOM 619 N SER A 39 -3.877 -7.852 6.646 1.00 0.00 N ATOM 620 CA SER A 39 -3.325 -8.587 7.791 1.00 0.00 C ATOM 621 C SER A 39 -1.828 -8.938 7.653 1.00 0.00 C ATOM 622 O SER A 39 -1.244 -9.535 8.561 1.00 0.00 O ATOM 623 CB SER A 39 -4.132 -9.877 7.996 1.00 0.00 C ATOM 624 OG SER A 39 -5.507 -9.626 8.261 1.00 0.00 O ATOM 0 H SER A 39 -4.466 -8.430 6.046 1.00 0.00 H new ATOM 0 HA SER A 39 -3.405 -7.923 8.652 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.045 -10.501 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.703 -10.442 8.824 1.00 0.00 H new ATOM 0 HG SER A 39 -5.875 -10.357 8.800 1.00 0.00 H new ATOM 630 N LYS A 40 -1.190 -8.602 6.525 1.00 0.00 N ATOM 631 CA LYS A 40 0.174 -9.024 6.196 1.00 0.00 C ATOM 632 C LYS A 40 1.258 -8.315 7.048 1.00 0.00 C ATOM 633 O LYS A 40 1.150 -7.118 7.346 1.00 0.00 O ATOM 634 CB LYS A 40 0.375 -8.826 4.682 1.00 0.00 C ATOM 635 CG LYS A 40 1.625 -9.534 4.123 1.00 0.00 C ATOM 636 CD LYS A 40 1.545 -11.072 4.097 1.00 0.00 C ATOM 637 CE LYS A 40 0.375 -11.573 3.234 1.00 0.00 C ATOM 638 NZ LYS A 40 0.330 -13.057 3.164 1.00 0.00 N ATOM 0 H LYS A 40 -1.616 -8.019 5.804 1.00 0.00 H new ATOM 0 HA LYS A 40 0.296 -10.077 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.506 -9.195 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.448 -7.759 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.803 -9.177 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.488 -9.240 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.480 -11.477 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.432 -11.446 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.564 -11.201 3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.466 -11.165 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.473 -13.352 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.215 -13.412 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.217 -13.446 4.122 1.00 0.00 H new ATOM 652 N THR A 41 2.309 -9.071 7.402 1.00 0.00 N ATOM 653 CA THR A 41 3.465 -8.687 8.240 1.00 0.00 C ATOM 654 C THR A 41 4.698 -9.514 7.891 1.00 0.00 C ATOM 655 O THR A 41 4.589 -10.675 7.493 1.00 0.00 O ATOM 656 CB THR A 41 3.191 -8.852 9.750 1.00 0.00 C ATOM 657 OG1 THR A 41 2.578 -10.102 9.989 1.00 0.00 O ATOM 658 CG2 THR A 41 2.319 -7.761 10.371 1.00 0.00 C ATOM 0 H THR A 41 2.382 -10.039 7.089 1.00 0.00 H new ATOM 0 HA THR A 41 3.640 -7.632 8.028 1.00 0.00 H new ATOM 0 HB THR A 41 4.169 -8.776 10.226 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.407 -10.204 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.183 -7.964 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.804 -6.793 10.246 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.347 -7.747 9.877 1.00 0.00 H new ATOM 666 N ASN A 42 5.873 -8.913 8.090 1.00 0.00 N ATOM 667 CA ASN A 42 7.196 -9.494 7.836 1.00 0.00 C ATOM 668 C ASN A 42 8.264 -8.776 8.677 1.00 0.00 C ATOM 669 O ASN A 42 8.405 -7.556 8.559 1.00 0.00 O ATOM 670 CB ASN A 42 7.574 -9.342 6.351 1.00 0.00 C ATOM 671 CG ASN A 42 6.866 -10.317 5.417 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.219 -11.489 5.327 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.876 -9.854 4.676 1.00 0.00 N ATOM 0 H ASN A 42 5.932 -7.961 8.451 1.00 0.00 H new ATOM 0 HA ASN A 42 7.154 -10.550 8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.347 -8.324 6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.651 -9.476 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.397 -10.472 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.590 -8.878 4.758 1.00 0.00 H new ATOM 680 N THR A 43 9.014 -9.512 9.510 1.00 0.00 N ATOM 681 CA THR A 43 10.064 -8.970 10.399 1.00 0.00 C ATOM 682 C THR A 43 11.409 -8.957 9.681 1.00 0.00 C ATOM 683 O THR A 43 11.760 -9.916 8.993 1.00 0.00 O ATOM 684 CB THR A 43 10.141 -9.774 11.704 1.00 0.00 C ATOM 685 OG1 THR A 43 8.845 -9.855 12.261 1.00 0.00 O ATOM 686 CG2 THR A 43 11.046 -9.105 12.742 1.00 0.00 C ATOM 0 H THR A 43 8.909 -10.523 9.590 1.00 0.00 H new ATOM 0 HA THR A 43 9.805 -7.943 10.657 1.00 0.00 H new ATOM 0 HB THR A 43 10.550 -10.755 11.463 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.879 -10.368 13.095 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.069 -9.710 13.648 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.055 -9.014 12.340 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.659 -8.114 12.977 1.00 0.00 H new ATOM 694 N ASN A 44 12.159 -7.868 9.846 1.00 0.00 N ATOM 695 CA ASN A 44 13.422 -7.596 9.148 1.00 0.00 C ATOM 696 C ASN A 44 14.651 -7.771 10.059 1.00 0.00 C ATOM 697 O ASN A 44 14.555 -7.711 11.288 1.00 0.00 O ATOM 698 CB ASN A 44 13.379 -6.165 8.587 1.00 0.00 C ATOM 699 CG ASN A 44 12.154 -5.911 7.715 1.00 0.00 C ATOM 700 OD1 ASN A 44 11.883 -6.619 6.751 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.385 -4.891 8.038 1.00 0.00 N ATOM 0 H ASN A 44 11.898 -7.123 10.491 1.00 0.00 H new ATOM 0 HA ASN A 44 13.525 -8.322 8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.385 -5.455 9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.280 -5.981 8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.554 -4.683 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.621 -4.309 8.842 1.00 0.00 H new ATOM 708 N ARG A 45 15.837 -7.899 9.446 1.00 0.00 N ATOM 709 CA ARG A 45 17.133 -8.042 10.147 1.00 0.00 C ATOM 710 C ARG A 45 17.513 -6.806 10.983 1.00 0.00 C ATOM 711 O ARG A 45 18.243 -6.912 11.969 1.00 0.00 O ATOM 712 CB ARG A 45 18.255 -8.351 9.138 1.00 0.00 C ATOM 713 CG ARG A 45 17.975 -9.624 8.322 1.00 0.00 C ATOM 714 CD ARG A 45 19.130 -9.992 7.382 1.00 0.00 C ATOM 715 NE ARG A 45 20.328 -10.440 8.120 1.00 0.00 N ATOM 716 CZ ARG A 45 21.520 -10.704 7.597 1.00 0.00 C ATOM 717 NH1 ARG A 45 21.761 -10.585 6.307 1.00 0.00 N ATOM 718 NH2 ARG A 45 22.503 -11.100 8.378 1.00 0.00 N ATOM 0 H ARG A 45 15.930 -7.907 8.430 1.00 0.00 H new ATOM 0 HA ARG A 45 17.014 -8.872 10.843 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.372 -7.506 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.199 -8.465 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.789 -10.454 9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.067 -9.483 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.807 -10.782 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.385 -9.129 6.768 1.00 0.00 H new ATOM 0 HE ARG A 45 20.231 -10.558 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.020 -10.282 5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.689 -10.796 5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.348 -11.203 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.420 -11.304 7.980 1.00 0.00 H new ATOM 732 N ASN A 46 16.970 -5.641 10.617 1.00 0.00 N ATOM 733 CA ASN A 46 17.104 -4.368 11.343 1.00 0.00 C ATOM 734 C ASN A 46 16.284 -4.309 12.660 1.00 0.00 C ATOM 735 O ASN A 46 16.514 -3.429 13.492 1.00 0.00 O ATOM 736 CB ASN A 46 16.700 -3.248 10.365 1.00 0.00 C ATOM 737 CG ASN A 46 16.853 -1.843 10.944 1.00 0.00 C ATOM 738 OD1 ASN A 46 15.880 -1.197 11.316 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.068 -1.329 11.027 1.00 0.00 N ATOM 0 H ASN A 46 16.402 -5.552 9.774 1.00 0.00 H new ATOM 0 HA ASN A 46 18.137 -4.251 11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.308 -3.328 9.464 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.663 -3.397 10.065 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.200 -0.390 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.874 -1.872 10.716 1.00 0.00 H new ATOM 746 N GLY A 47 15.330 -5.231 12.859 1.00 0.00 N ATOM 747 CA GLY A 47 14.399 -5.265 14.001 1.00 0.00 C ATOM 748 C GLY A 47 13.075 -4.530 13.753 1.00 0.00 C ATOM 749 O GLY A 47 12.205 -4.527 14.621 1.00 0.00 O ATOM 0 H GLY A 47 15.179 -6.001 12.207 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.184 -6.304 14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.890 -4.824 14.869 1.00 0.00 H new ATOM 753 N SER A 48 12.903 -3.923 12.578 1.00 0.00 N ATOM 754 CA SER A 48 11.633 -3.365 12.100 1.00 0.00 C ATOM 755 C SER A 48 10.719 -4.455 11.503 1.00 0.00 C ATOM 756 O SER A 48 11.123 -5.610 11.327 1.00 0.00 O ATOM 757 CB SER A 48 11.936 -2.269 11.067 1.00 0.00 C ATOM 758 OG SER A 48 12.584 -2.803 9.914 1.00 0.00 O ATOM 0 H SER A 48 13.665 -3.801 11.911 1.00 0.00 H new ATOM 0 HA SER A 48 11.092 -2.936 12.943 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.008 -1.780 10.771 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.568 -1.505 11.520 1.00 0.00 H new ATOM 0 HG SER A 48 13.041 -2.082 9.433 1.00 0.00 H new ATOM 764 N LYS A 49 9.485 -4.091 11.152 1.00 0.00 N ATOM 765 CA LYS A 49 8.491 -4.979 10.538 1.00 0.00 C ATOM 766 C LYS A 49 7.635 -4.225 9.503 1.00 0.00 C ATOM 767 O LYS A 49 7.458 -3.008 9.594 1.00 0.00 O ATOM 768 CB LYS A 49 7.634 -5.612 11.658 1.00 0.00 C ATOM 769 CG LYS A 49 6.856 -6.879 11.270 1.00 0.00 C ATOM 770 CD LYS A 49 5.854 -7.333 12.341 1.00 0.00 C ATOM 771 CE LYS A 49 6.532 -7.594 13.692 1.00 0.00 C ATOM 772 NZ LYS A 49 5.568 -8.082 14.713 1.00 0.00 N ATOM 0 H LYS A 49 9.137 -3.142 11.290 1.00 0.00 H new ATOM 0 HA LYS A 49 8.994 -5.776 9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.287 -5.852 12.497 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.923 -4.865 12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.322 -6.697 10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.563 -7.686 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.085 -6.571 12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.353 -8.241 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.327 -8.329 13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.001 -6.676 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.067 -8.246 15.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.823 -7.370 14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.139 -8.972 14.388 1.00 0.00 H new ATOM 786 N ASP A 50 7.107 -4.951 8.517 1.00 0.00 N ATOM 787 CA ASP A 50 6.094 -4.442 7.582 1.00 0.00 C ATOM 788 C ASP A 50 4.687 -4.579 8.172 1.00 0.00 C ATOM 789 O ASP A 50 4.412 -5.526 8.907 1.00 0.00 O ATOM 790 CB ASP A 50 6.207 -5.135 6.199 1.00 0.00 C ATOM 791 CG ASP A 50 5.028 -6.052 5.796 1.00 0.00 C ATOM 792 OD1 ASP A 50 3.906 -5.557 5.559 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.236 -7.267 5.611 1.00 0.00 O ATOM 0 H ASP A 50 7.371 -5.920 8.340 1.00 0.00 H new ATOM 0 HA ASP A 50 6.282 -3.380 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.317 -4.363 5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.122 -5.728 6.186 1.00 0.00 H new ATOM 798 N TYR A 51 3.802 -3.654 7.803 1.00 0.00 N ATOM 799 CA TYR A 51 2.388 -3.648 8.174 1.00 0.00 C ATOM 800 C TYR A 51 1.491 -3.141 7.033 1.00 0.00 C ATOM 801 O TYR A 51 1.793 -2.150 6.359 1.00 0.00 O ATOM 802 CB TYR A 51 2.186 -2.759 9.410 1.00 0.00 C ATOM 803 CG TYR A 51 3.013 -3.131 10.622 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.325 -2.639 10.742 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.466 -3.924 11.646 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.100 -2.951 11.868 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.227 -4.221 12.794 1.00 0.00 C ATOM 808 CZ TYR A 51 4.549 -3.732 12.910 1.00 0.00 C ATOM 809 OH TYR A 51 5.284 -4.026 14.020 1.00 0.00 O ATOM 0 H TYR A 51 4.059 -2.860 7.217 1.00 0.00 H new ATOM 0 HA TYR A 51 2.101 -4.677 8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.416 -1.729 9.137 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.132 -2.787 9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.738 -2.017 9.962 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.460 -4.306 11.552 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.117 -2.595 11.939 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.801 -4.821 13.584 1.00 0.00 H new ATOM 0 HH TYR A 51 4.747 -4.571 14.633 1.00 0.00 H new ATOM 819 N GLY A 52 0.343 -3.795 6.847 1.00 0.00 N ATOM 820 CA GLY A 52 -0.734 -3.320 5.977 1.00 0.00 C ATOM 821 C GLY A 52 -0.568 -3.615 4.493 1.00 0.00 C ATOM 822 O GLY A 52 0.336 -4.333 4.071 1.00 0.00 O ATOM 0 H GLY A 52 0.132 -4.683 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.670 -3.765 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.830 -2.242 6.105 1.00 0.00 H new ATOM 826 N LEU A 53 -1.469 -3.046 3.689 1.00 0.00 N ATOM 827 CA LEU A 53 -1.626 -3.384 2.268 1.00 0.00 C ATOM 828 C LEU A 53 -0.489 -2.913 1.346 1.00 0.00 C ATOM 829 O LEU A 53 -0.339 -3.430 0.238 1.00 0.00 O ATOM 830 CB LEU A 53 -2.967 -2.797 1.782 1.00 0.00 C ATOM 831 CG LEU A 53 -3.654 -3.729 0.773 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.551 -4.716 1.507 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.526 -2.963 -0.207 1.00 0.00 C ATOM 0 H LEU A 53 -2.119 -2.328 4.008 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.599 -4.472 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.625 -2.634 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.795 -1.824 1.322 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.862 -4.241 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.035 -5.374 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.951 -5.311 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.310 -4.170 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.992 -3.661 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.300 -2.424 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.912 -2.254 -0.762 1.00 0.00 H new ATOM 845 N PHE A 54 0.294 -1.940 1.814 1.00 0.00 N ATOM 846 CA PHE A 54 1.417 -1.321 1.104 1.00 0.00 C ATOM 847 C PHE A 54 2.758 -1.609 1.806 1.00 0.00 C ATOM 848 O PHE A 54 3.753 -0.942 1.534 1.00 0.00 O ATOM 849 CB PHE A 54 1.147 0.188 0.968 1.00 0.00 C ATOM 850 CG PHE A 54 -0.123 0.550 0.219 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.351 0.603 0.904 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.079 0.862 -1.153 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.531 0.949 0.226 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.257 1.232 -1.826 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.484 1.273 -1.140 1.00 0.00 C ATOM 0 H PHE A 54 0.157 -1.542 2.743 1.00 0.00 H new ATOM 0 HA PHE A 54 1.500 -1.755 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.099 0.624 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.994 0.649 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.386 0.376 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.858 0.817 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.473 0.966 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.219 1.486 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.387 1.553 -1.662 1.00 0.00 H new ATOM 865 N GLN A 55 2.774 -2.578 2.728 1.00 0.00 N ATOM 866 CA GLN A 55 3.956 -3.110 3.415 1.00 0.00 C ATOM 867 C GLN A 55 4.745 -1.992 4.128 1.00 0.00 C ATOM 868 O GLN A 55 5.955 -1.820 3.959 1.00 0.00 O ATOM 869 CB GLN A 55 4.819 -3.958 2.434 1.00 0.00 C ATOM 870 CG GLN A 55 4.407 -5.430 2.304 1.00 0.00 C ATOM 871 CD GLN A 55 2.899 -5.591 2.305 1.00 0.00 C ATOM 872 OE1 GLN A 55 2.207 -5.084 1.439 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.334 -6.171 3.337 1.00 0.00 N ATOM 0 H GLN A 55 1.915 -3.037 3.031 1.00 0.00 H new ATOM 0 HA GLN A 55 3.633 -3.786 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.776 -3.497 1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.858 -3.916 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.817 -5.843 1.382 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.835 -6.002 3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.911 -6.596 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.317 -6.197 3.414 1.00 0.00 H new ATOM 882 N ILE A 56 4.029 -1.169 4.893 1.00 0.00 N ATOM 883 CA ILE A 56 4.538 0.080 5.468 1.00 0.00 C ATOM 884 C ILE A 56 5.367 -0.216 6.722 1.00 0.00 C ATOM 885 O ILE A 56 4.958 -1.010 7.565 1.00 0.00 O ATOM 886 CB ILE A 56 3.376 1.067 5.744 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.403 1.119 4.538 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.963 2.455 6.000 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.316 2.196 4.577 1.00 0.00 C ATOM 0 H ILE A 56 3.056 -1.355 5.137 1.00 0.00 H new ATOM 0 HA ILE A 56 5.199 0.565 4.750 1.00 0.00 H new ATOM 0 HB ILE A 56 2.816 0.730 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.992 1.263 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.916 0.148 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.156 3.161 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.628 2.415 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.524 2.780 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.703 2.127 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.689 2.048 5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.781 3.181 4.624 1.00 0.00 H new ATOM 901 N ASN A 57 6.538 0.414 6.843 1.00 0.00 N ATOM 902 CA ASN A 57 7.518 0.098 7.881 1.00 0.00 C ATOM 903 C ASN A 57 7.487 1.103 9.047 1.00 0.00 C ATOM 904 O ASN A 57 7.448 2.323 8.849 1.00 0.00 O ATOM 905 CB ASN A 57 8.901 0.028 7.227 1.00 0.00 C ATOM 906 CG ASN A 57 9.964 -0.531 8.163 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.389 0.124 9.101 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.431 -1.743 7.929 1.00 0.00 N ATOM 0 H ASN A 57 6.834 1.164 6.218 1.00 0.00 H new ATOM 0 HA ASN A 57 7.269 -0.866 8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.845 -0.594 6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.196 1.026 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.151 -2.138 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.072 -2.285 7.143 1.00 0.00 H new ATOM 915 N ASP A 58 7.549 0.567 10.266 1.00 0.00 N ATOM 916 CA ASP A 58 7.467 1.301 11.537 1.00 0.00 C ATOM 917 C ASP A 58 8.618 2.289 11.826 1.00 0.00 C ATOM 918 O ASP A 58 8.530 3.104 12.747 1.00 0.00 O ATOM 919 CB ASP A 58 7.354 0.299 12.690 1.00 0.00 C ATOM 920 CG ASP A 58 8.658 -0.472 12.958 1.00 0.00 C ATOM 921 OD1 ASP A 58 8.853 -1.535 12.327 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.470 -0.024 13.799 1.00 0.00 O ATOM 0 H ASP A 58 7.663 -0.437 10.405 1.00 0.00 H new ATOM 0 HA ASP A 58 6.580 1.928 11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.062 0.830 13.596 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.559 -0.413 12.467 1.00 0.00 H new ATOM 927 N ARG A 59 9.701 2.219 11.046 1.00 0.00 N ATOM 928 CA ARG A 59 10.883 3.073 11.188 1.00 0.00 C ATOM 929 C ARG A 59 10.708 4.447 10.524 1.00 0.00 C ATOM 930 O ARG A 59 11.411 5.396 10.879 1.00 0.00 O ATOM 931 CB ARG A 59 12.085 2.307 10.610 1.00 0.00 C ATOM 932 CG ARG A 59 13.428 2.902 11.044 1.00 0.00 C ATOM 933 CD ARG A 59 14.573 1.951 10.691 1.00 0.00 C ATOM 934 NE ARG A 59 15.807 2.362 11.377 1.00 0.00 N ATOM 935 CZ ARG A 59 16.886 2.928 10.846 1.00 0.00 C ATOM 936 NH1 ARG A 59 16.985 3.202 9.562 1.00 0.00 N ATOM 937 NH2 ARG A 59 17.903 3.234 11.623 1.00 0.00 N ATOM 0 H ARG A 59 9.781 1.550 10.280 1.00 0.00 H new ATOM 0 HA ARG A 59 11.045 3.290 12.244 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.034 1.266 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.025 2.312 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.582 3.864 10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.420 3.089 12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.311 0.933 10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.732 1.947 9.613 1.00 0.00 H new ATOM 0 HE ARG A 59 15.839 2.192 12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.214 2.979 8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.832 3.637 9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.859 3.037 12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.736 3.669 11.226 1.00 0.00 H new ATOM 951 N TYR A 60 9.743 4.597 9.608 1.00 0.00 N ATOM 952 CA TYR A 60 9.642 5.767 8.721 1.00 0.00 C ATOM 953 C TYR A 60 8.250 6.413 8.657 1.00 0.00 C ATOM 954 O TYR A 60 8.100 7.588 9.000 1.00 0.00 O ATOM 955 CB TYR A 60 10.084 5.325 7.311 1.00 0.00 C ATOM 956 CG TYR A 60 11.454 4.667 7.236 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.597 5.325 7.735 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.579 3.370 6.698 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.853 4.691 7.705 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.832 2.731 6.659 1.00 0.00 C ATOM 961 CZ TYR A 60 13.975 3.390 7.166 1.00 0.00 C ATOM 962 OH TYR A 60 15.190 2.773 7.148 1.00 0.00 O ATOM 0 H TYR A 60 9.006 3.908 9.459 1.00 0.00 H new ATOM 0 HA TYR A 60 10.288 6.542 9.135 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.343 4.629 6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.082 6.197 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.508 6.321 8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.707 2.863 6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.724 5.198 8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.920 1.739 6.242 1.00 0.00 H new ATOM 0 HH TYR A 60 15.100 1.884 6.745 1.00 0.00 H new ATOM 972 N TRP A 61 7.235 5.652 8.243 1.00 0.00 N ATOM 973 CA TRP A 61 5.923 6.182 7.856 1.00 0.00 C ATOM 974 C TRP A 61 4.850 5.988 8.938 1.00 0.00 C ATOM 975 O TRP A 61 4.209 6.959 9.345 1.00 0.00 O ATOM 976 CB TRP A 61 5.542 5.501 6.533 1.00 0.00 C ATOM 977 CG TRP A 61 6.597 5.477 5.466 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.229 4.364 5.028 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.139 6.579 4.671 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.151 4.702 4.056 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.116 6.051 3.774 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.872 7.963 4.578 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.792 6.851 2.838 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.524 8.770 3.625 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.487 8.220 2.761 1.00 0.00 C ATOM 0 H TRP A 61 7.300 4.637 8.166 1.00 0.00 H new ATOM 0 HA TRP A 61 5.984 7.263 7.732 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.252 4.473 6.749 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.662 6.003 6.132 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.041 3.362 5.384 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.779 4.037 3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.155 8.411 5.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.537 6.419 2.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.282 9.820 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.990 8.848 2.041 1.00 0.00 H new ATOM 996 N CYS A 62 4.689 4.756 9.434 1.00 0.00 N ATOM 997 CA CYS A 62 3.824 4.406 10.568 1.00 0.00 C ATOM 998 C CYS A 62 4.605 4.222 11.884 1.00 0.00 C ATOM 999 O CYS A 62 5.827 4.151 11.883 1.00 0.00 O ATOM 1000 CB CYS A 62 3.016 3.149 10.216 1.00 0.00 C ATOM 1001 SG CYS A 62 3.967 1.790 9.481 1.00 0.00 S ATOM 0 H CYS A 62 5.173 3.947 9.044 1.00 0.00 H new ATOM 0 HA CYS A 62 3.145 5.240 10.744 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.533 2.783 11.122 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.223 3.430 9.523 1.00 0.00 H new ATOM 0 HG CYS A 62 3.228 0.722 9.427 1.00 0.00 H new ATOM 1006 N SER A 63 3.893 4.153 13.011 1.00 0.00 N ATOM 1007 CA SER A 63 4.444 4.006 14.371 1.00 0.00 C ATOM 1008 C SER A 63 4.049 2.670 15.013 1.00 0.00 C ATOM 1009 O SER A 63 2.870 2.309 15.024 1.00 0.00 O ATOM 1010 CB SER A 63 3.903 5.132 15.260 1.00 0.00 C ATOM 1011 OG SER A 63 4.480 5.078 16.555 1.00 0.00 O ATOM 0 H SER A 63 2.874 4.199 13.007 1.00 0.00 H new ATOM 0 HA SER A 63 5.530 4.047 14.287 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.118 6.097 14.802 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.819 5.050 15.337 1.00 0.00 H new ATOM 0 HG SER A 63 3.811 5.338 17.222 1.00 0.00 H new ATOM 1017 N LYS A 64 5.015 1.942 15.579 1.00 0.00 N ATOM 1018 CA LYS A 64 4.788 0.663 16.282 1.00 0.00 C ATOM 1019 C LYS A 64 4.384 0.803 17.764 1.00 0.00 C ATOM 1020 O LYS A 64 4.037 -0.196 18.402 1.00 0.00 O ATOM 1021 CB LYS A 64 6.042 -0.221 16.170 1.00 0.00 C ATOM 1022 CG LYS A 64 7.315 0.487 16.665 1.00 0.00 C ATOM 1023 CD LYS A 64 8.407 -0.525 17.006 1.00 0.00 C ATOM 1024 CE LYS A 64 9.731 0.215 17.211 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.849 -0.720 17.494 1.00 0.00 N ATOM 0 H LYS A 64 5.995 2.224 15.565 1.00 0.00 H new ATOM 0 HA LYS A 64 3.935 0.202 15.785 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.891 -1.133 16.747 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.179 -0.520 15.131 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.676 1.172 15.898 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.083 1.087 17.545 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.141 -1.076 17.908 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.505 -1.256 16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.962 0.799 16.320 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.629 0.920 18.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.728 -0.180 17.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.640 -1.259 18.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.963 -1.376 16.695 1.00 0.00 H new ATOM 1039 N GLY A 65 4.481 2.012 18.328 1.00 0.00 N ATOM 1040 CA GLY A 65 4.321 2.273 19.764 1.00 0.00 C ATOM 1041 C GLY A 65 2.859 2.342 20.209 1.00 0.00 C ATOM 1042 O GLY A 65 1.963 1.838 19.530 1.00 0.00 O ATOM 0 H GLY A 65 4.677 2.855 17.788 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.828 1.489 20.327 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.813 3.213 20.012 1.00 0.00 H new ATOM 1046 N ALA A 66 2.609 2.969 21.361 1.00 0.00 N ATOM 1047 CA ALA A 66 1.268 3.115 21.945 1.00 0.00 C ATOM 1048 C ALA A 66 0.400 4.200 21.268 1.00 0.00 C ATOM 1049 O ALA A 66 -0.763 4.381 21.629 1.00 0.00 O ATOM 1050 CB ALA A 66 1.437 3.372 23.450 1.00 0.00 C ATOM 0 H ALA A 66 3.343 3.397 21.925 1.00 0.00 H new ATOM 0 HA ALA A 66 0.715 2.192 21.772 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.456 3.485 23.912 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.959 2.531 23.906 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.016 4.283 23.601 1.00 0.00 H new ATOM 1056 N SER A 67 0.939 4.917 20.280 1.00 0.00 N ATOM 1057 CA SER A 67 0.312 6.079 19.637 1.00 0.00 C ATOM 1058 C SER A 67 0.894 6.350 18.230 1.00 0.00 C ATOM 1059 O SER A 67 2.047 5.978 17.962 1.00 0.00 O ATOM 1060 CB SER A 67 0.475 7.312 20.547 1.00 0.00 C ATOM 1061 OG SER A 67 1.840 7.617 20.814 1.00 0.00 O ATOM 0 H SER A 67 1.856 4.699 19.890 1.00 0.00 H new ATOM 0 HA SER A 67 -0.748 5.864 19.499 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.001 8.172 20.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.045 7.136 21.488 1.00 0.00 H new ATOM 0 HG SER A 67 1.892 8.406 21.393 1.00 0.00 H new ATOM 1067 N PRO A 68 0.123 6.982 17.317 1.00 0.00 N ATOM 1068 CA PRO A 68 0.621 7.442 16.022 1.00 0.00 C ATOM 1069 C PRO A 68 1.579 8.629 16.212 1.00 0.00 C ATOM 1070 O PRO A 68 1.407 9.430 17.135 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.629 7.829 15.228 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.606 8.288 16.305 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.281 7.355 17.470 1.00 0.00 C ATOM 0 HA PRO A 68 1.194 6.679 15.495 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.419 8.623 14.511 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.023 6.985 14.662 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.455 9.335 16.570 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.642 8.187 15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.449 7.852 18.425 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.922 6.473 17.453 1.00 0.00 H new ATOM 1081 N GLY A 69 2.598 8.746 15.349 1.00 0.00 N ATOM 1082 CA GLY A 69 3.675 9.732 15.561 1.00 0.00 C ATOM 1083 C GLY A 69 4.894 9.650 14.639 1.00 0.00 C ATOM 1084 O GLY A 69 5.994 10.017 15.052 1.00 0.00 O ATOM 0 H GLY A 69 2.702 8.180 14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.244 10.728 15.463 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.023 9.635 16.589 1.00 0.00 H new ATOM 1088 N LYS A 70 4.710 9.187 13.400 1.00 0.00 N ATOM 1089 CA LYS A 70 5.743 9.132 12.345 1.00 0.00 C ATOM 1090 C LYS A 70 5.326 9.983 11.125 1.00 0.00 C ATOM 1091 O LYS A 70 4.368 10.755 11.217 1.00 0.00 O ATOM 1092 CB LYS A 70 6.039 7.651 12.040 1.00 0.00 C ATOM 1093 CG LYS A 70 6.903 7.008 13.144 1.00 0.00 C ATOM 1094 CD LYS A 70 8.361 6.738 12.744 1.00 0.00 C ATOM 1095 CE LYS A 70 9.144 8.017 12.412 1.00 0.00 C ATOM 1096 NZ LYS A 70 10.609 7.766 12.342 1.00 0.00 N ATOM 0 H LYS A 70 3.809 8.826 13.086 1.00 0.00 H new ATOM 0 HA LYS A 70 6.680 9.582 12.675 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.101 7.104 11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.553 7.571 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.895 7.660 14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.443 6.067 13.444 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.863 6.213 13.557 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.377 6.075 11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.798 8.418 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.941 8.774 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.079 8.577 11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.986 7.638 13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.788 6.907 11.783 1.00 0.00 H new ATOM 1110 N ASP A 71 6.023 9.878 9.988 1.00 0.00 N ATOM 1111 CA ASP A 71 5.867 10.804 8.846 1.00 0.00 C ATOM 1112 C ASP A 71 4.443 10.877 8.253 1.00 0.00 C ATOM 1113 O ASP A 71 4.049 11.915 7.720 1.00 0.00 O ATOM 1114 CB ASP A 71 6.888 10.441 7.759 1.00 0.00 C ATOM 1115 CG ASP A 71 6.887 11.469 6.617 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.501 12.550 6.779 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.251 11.208 5.572 1.00 0.00 O ATOM 0 H ASP A 71 6.716 9.147 9.827 1.00 0.00 H new ATOM 0 HA ASP A 71 6.053 11.804 9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.884 10.385 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.660 9.453 7.360 1.00 0.00 H new ATOM 1122 N CYS A 72 3.651 9.809 8.401 1.00 0.00 N ATOM 1123 CA CYS A 72 2.261 9.727 7.929 1.00 0.00 C ATOM 1124 C CYS A 72 1.214 9.786 9.056 1.00 0.00 C ATOM 1125 O CYS A 72 0.025 9.614 8.791 1.00 0.00 O ATOM 1126 CB CYS A 72 2.128 8.476 7.060 1.00 0.00 C ATOM 1127 SG CYS A 72 3.273 8.466 5.651 1.00 0.00 S ATOM 0 H CYS A 72 3.965 8.956 8.864 1.00 0.00 H new ATOM 0 HA CYS A 72 2.042 10.614 7.335 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.308 7.593 7.674 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.105 8.404 6.690 1.00 0.00 H new ATOM 0 HG CYS A 72 4.456 8.109 6.056 1.00 0.00 H new ATOM 1132 N ASN A 73 1.637 10.023 10.307 1.00 0.00 N ATOM 1133 CA ASN A 73 0.780 10.265 11.476 1.00 0.00 C ATOM 1134 C ASN A 73 -0.266 9.146 11.693 1.00 0.00 C ATOM 1135 O ASN A 73 -1.466 9.392 11.822 1.00 0.00 O ATOM 1136 CB ASN A 73 0.180 11.684 11.395 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.500 12.122 12.692 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.161 11.682 13.787 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.478 13.008 12.610 1.00 0.00 N ATOM 0 H ASN A 73 2.629 10.052 10.541 1.00 0.00 H new ATOM 0 HA ASN A 73 1.393 10.225 12.376 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.971 12.393 11.149 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.545 11.720 10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.951 13.326 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.760 13.374 11.701 1.00 0.00 H new ATOM 1146 N VAL A 74 0.207 7.894 11.690 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.616 6.676 11.711 1.00 0.00 C ATOM 1148 C VAL A 74 0.131 5.539 12.415 1.00 0.00 C ATOM 1149 O VAL A 74 1.351 5.427 12.320 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.061 6.301 10.274 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.112 5.890 9.365 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.118 5.191 10.287 1.00 0.00 C ATOM 0 H VAL A 74 1.207 7.693 11.672 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.523 6.862 12.286 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.496 7.209 9.856 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.266 5.640 8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.818 6.717 9.286 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.616 5.022 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.408 4.952 9.264 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.706 4.302 10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.993 5.528 10.843 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.599 4.714 13.159 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.068 3.582 13.926 1.00 0.00 C ATOM 1164 C LYS A 75 -0.107 2.280 13.098 1.00 0.00 C ATOM 1165 O LYS A 75 -1.119 1.969 12.472 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.884 3.496 15.229 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.115 2.857 16.393 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.856 2.962 17.738 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.994 1.951 17.949 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.326 2.459 17.525 1.00 0.00 N ATOM 0 H LYS A 75 -1.610 4.815 13.251 1.00 0.00 H new ATOM 0 HA LYS A 75 0.984 3.728 14.170 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.198 4.499 15.519 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.790 2.920 15.043 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.067 1.806 16.167 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.859 3.337 16.484 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.131 2.839 18.543 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.266 3.968 17.829 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.768 1.041 17.394 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.037 1.679 19.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.073 1.891 17.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.427 3.453 17.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.411 2.389 16.491 1.00 0.00 H new ATOM 1184 N CYS A 76 0.978 1.501 13.107 1.00 0.00 N ATOM 1185 CA CYS A 76 1.131 0.211 12.408 1.00 0.00 C ATOM 1186 C CYS A 76 -0.038 -0.768 12.629 1.00 0.00 C ATOM 1187 O CYS A 76 -0.438 -1.469 11.706 1.00 0.00 O ATOM 1188 CB CYS A 76 2.428 -0.437 12.907 1.00 0.00 C ATOM 1189 SG CYS A 76 3.929 0.497 12.564 1.00 0.00 S ATOM 0 H CYS A 76 1.817 1.760 13.625 1.00 0.00 H new ATOM 0 HA CYS A 76 1.150 0.419 11.338 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.350 -0.587 13.984 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.521 -1.424 12.453 1.00 0.00 H new ATOM 0 HG CYS A 76 3.918 0.897 11.327 1.00 0.00 H new ATOM 1194 N SER A 77 -0.623 -0.792 13.829 1.00 0.00 N ATOM 1195 CA SER A 77 -1.764 -1.668 14.153 1.00 0.00 C ATOM 1196 C SER A 77 -3.061 -1.263 13.421 1.00 0.00 C ATOM 1197 O SER A 77 -3.825 -2.131 12.991 1.00 0.00 O ATOM 1198 CB SER A 77 -1.973 -1.684 15.675 1.00 0.00 C ATOM 1199 OG SER A 77 -2.858 -2.722 16.069 1.00 0.00 O ATOM 0 H SER A 77 -0.322 -0.206 14.608 1.00 0.00 H new ATOM 0 HA SER A 77 -1.524 -2.671 13.801 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.013 -1.815 16.174 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.372 -0.722 15.998 1.00 0.00 H new ATOM 0 HG SER A 77 -2.968 -2.706 17.043 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.289 0.036 13.173 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.424 0.526 12.383 1.00 0.00 C ATOM 1207 C ASP A 78 -4.260 0.243 10.879 1.00 0.00 C ATOM 1208 O ASP A 78 -5.223 0.377 10.129 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.640 2.025 12.643 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.150 2.291 14.064 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.379 2.199 14.290 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.318 2.599 14.949 1.00 0.00 O ATOM 0 H ASP A 78 -2.684 0.781 13.519 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.309 -0.022 12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.703 2.559 12.488 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.355 2.419 11.921 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.082 -0.207 10.430 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.871 -0.678 9.057 1.00 0.00 C ATOM 1219 C LEU A 79 -3.338 -2.130 8.856 1.00 0.00 C ATOM 1220 O LEU A 79 -3.513 -2.555 7.714 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.395 -0.515 8.649 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.753 0.856 8.944 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.640 0.879 8.312 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.571 2.026 8.392 1.00 0.00 C ATOM 0 H LEU A 79 -2.245 -0.255 11.012 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.486 -0.056 8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.812 -1.283 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.312 -0.709 7.580 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.708 0.979 10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.113 1.841 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.247 0.082 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.554 0.730 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.070 2.964 8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.662 1.928 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.564 2.020 8.842 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.577 -2.873 9.947 1.00 0.00 N ATOM 1237 CA LEU A 80 -3.997 -4.282 9.939 1.00 0.00 C ATOM 1238 C LEU A 80 -5.526 -4.459 10.063 1.00 0.00 C ATOM 1239 O LEU A 80 -5.997 -5.574 10.308 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.250 -5.058 11.044 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.710 -4.959 11.026 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.156 -5.822 12.170 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.085 -5.401 9.697 1.00 0.00 C ATOM 0 H LEU A 80 -3.480 -2.497 10.890 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.730 -4.695 8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.605 -4.702 12.011 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.526 -6.110 10.970 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.446 -3.909 11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.067 -5.765 12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.542 -5.456 13.121 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.465 -6.858 12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.001 -5.305 9.755 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.348 -6.440 9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.462 -4.772 8.891 1.00 0.00 H new ATOM 1255 N THR A 81 -6.299 -3.373 9.937 1.00 0.00 N ATOM 1256 CA THR A 81 -7.764 -3.335 10.103 1.00 0.00 C ATOM 1257 C THR A 81 -8.504 -3.704 8.810 1.00 0.00 C ATOM 1258 O THR A 81 -7.887 -4.079 7.813 1.00 0.00 O ATOM 1259 CB THR A 81 -8.154 -1.982 10.717 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.461 -2.073 11.236 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.075 -0.809 9.739 1.00 0.00 C ATOM 0 H THR A 81 -5.909 -2.459 9.708 1.00 0.00 H new ATOM 0 HA THR A 81 -8.087 -4.107 10.801 1.00 0.00 H new ATOM 0 HB THR A 81 -7.427 -1.773 11.502 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.717 -1.213 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.365 0.110 10.249 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.054 -0.712 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.749 -0.988 8.901 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.835 -3.670 8.832 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.715 -4.159 7.753 1.00 0.00 C ATOM 1271 C ASP A 82 -11.021 -3.138 6.641 1.00 0.00 C ATOM 1272 O ASP A 82 -11.610 -3.489 5.618 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.009 -4.716 8.363 1.00 0.00 C ATOM 1274 CG ASP A 82 -12.964 -3.627 8.884 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.717 -3.089 9.990 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -13.981 -3.342 8.208 1.00 0.00 O ATOM 0 H ASP A 82 -10.355 -3.291 9.623 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.159 -4.947 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.527 -5.313 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.754 -5.387 9.183 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.585 -1.893 6.821 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.572 -0.845 5.793 1.00 0.00 C ATOM 1283 C ASP A 83 -9.123 -0.414 5.528 1.00 0.00 C ATOM 1284 O ASP A 83 -8.378 -0.050 6.440 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.461 0.346 6.193 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.736 1.316 5.022 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.830 1.543 4.184 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.867 1.854 4.956 1.00 0.00 O ATOM 0 H ASP A 83 -10.218 -1.571 7.716 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.991 -1.245 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.410 -0.029 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.982 0.893 7.005 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.725 -0.455 4.255 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.362 -0.167 3.797 1.00 0.00 C ATOM 1295 C ILE A 84 -6.963 1.311 3.961 1.00 0.00 C ATOM 1296 O ILE A 84 -5.779 1.617 3.835 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.180 -0.648 2.333 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.879 0.304 1.344 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.715 -2.080 2.139 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.640 -0.004 -0.133 1.00 0.00 C ATOM 0 H ILE A 84 -9.358 -0.696 3.492 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.682 -0.724 4.442 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.109 -0.646 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.952 0.278 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.544 1.322 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.571 -2.385 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.175 -2.762 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.777 -2.107 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.174 0.721 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.573 0.053 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.002 -1.007 -0.359 1.00 0.00 H new ATOM 1312 N THR A 85 -7.919 2.222 4.210 1.00 0.00 N ATOM 1313 CA THR A 85 -7.748 3.692 4.182 1.00 0.00 C ATOM 1314 C THR A 85 -6.586 4.209 5.022 1.00 0.00 C ATOM 1315 O THR A 85 -5.853 5.092 4.579 1.00 0.00 O ATOM 1316 CB THR A 85 -9.067 4.382 4.541 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.944 5.772 4.355 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.533 4.126 5.973 1.00 0.00 C ATOM 0 H THR A 85 -8.872 1.947 4.446 1.00 0.00 H new ATOM 0 HA THR A 85 -7.475 3.951 3.159 1.00 0.00 H new ATOM 0 HB THR A 85 -9.816 3.952 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.791 6.209 4.584 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.473 4.649 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.679 3.056 6.122 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.780 4.490 6.671 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.337 3.609 6.188 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.219 3.982 7.063 1.00 0.00 C ATOM 1328 C LYS A 86 -3.851 3.729 6.397 1.00 0.00 C ATOM 1329 O LYS A 86 -2.906 4.495 6.600 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.346 3.211 8.390 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.689 3.381 9.125 1.00 0.00 C ATOM 1332 CD LYS A 86 -6.990 4.832 9.524 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.287 4.883 10.343 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.625 6.270 10.762 1.00 0.00 N ATOM 0 H LYS A 86 -6.907 2.847 6.555 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.269 5.053 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.191 2.151 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.544 3.531 9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.492 3.014 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.685 2.760 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.164 5.238 10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.086 5.452 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.106 4.473 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.184 4.252 11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.507 6.261 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.855 6.653 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.749 6.867 9.919 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.760 2.695 5.555 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.585 2.372 4.748 1.00 0.00 C ATOM 1350 C ALA A 87 -2.594 3.128 3.411 1.00 0.00 C ATOM 1351 O ALA A 87 -1.555 3.631 2.993 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.541 0.847 4.560 1.00 0.00 C ATOM 0 H ALA A 87 -4.529 2.040 5.414 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.678 2.696 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.671 0.579 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.473 0.362 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.448 0.517 4.053 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.759 3.275 2.777 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.915 3.926 1.479 1.00 0.00 C ATOM 1360 C ALA A 88 -3.605 5.430 1.514 1.00 0.00 C ATOM 1361 O ALA A 88 -2.884 5.928 0.655 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.333 3.644 0.976 1.00 0.00 C ATOM 0 H ALA A 88 -4.640 2.936 3.163 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.182 3.512 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.476 4.120 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.477 2.568 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.057 4.043 1.686 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.065 6.164 2.529 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.740 7.590 2.688 1.00 0.00 C ATOM 1370 C LYS A 89 -2.262 7.820 3.056 1.00 0.00 C ATOM 1371 O LYS A 89 -1.645 8.789 2.609 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.679 8.196 3.738 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.123 8.293 3.218 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.059 8.866 4.290 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.505 8.988 3.788 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.676 10.063 2.774 1.00 0.00 N ATOM 0 H LYS A 89 -4.670 5.793 3.262 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.888 8.089 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.657 7.586 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.324 9.189 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.151 8.925 2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.472 7.305 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.035 8.226 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.699 9.847 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.817 8.036 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.163 9.186 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.670 10.100 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.406 10.978 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.071 9.864 1.952 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.665 6.885 3.799 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.223 6.847 4.070 1.00 0.00 C ATOM 1392 C CYS A 90 0.578 6.535 2.791 1.00 0.00 C ATOM 1393 O CYS A 90 1.597 7.173 2.527 1.00 0.00 O ATOM 1394 CB CYS A 90 0.004 5.849 5.212 1.00 0.00 C ATOM 1395 SG CYS A 90 1.719 5.500 5.655 1.00 0.00 S ATOM 0 H CYS A 90 -2.177 6.120 4.237 1.00 0.00 H new ATOM 0 HA CYS A 90 0.148 7.822 4.388 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.507 6.225 6.099 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.476 4.908 4.942 1.00 0.00 H new ATOM 0 HG CYS A 90 2.452 6.545 5.410 1.00 0.00 H new ATOM 1400 N ALA A 91 0.059 5.667 1.920 1.00 0.00 N ATOM 1401 CA ALA A 91 0.606 5.414 0.591 1.00 0.00 C ATOM 1402 C ALA A 91 0.576 6.661 -0.311 1.00 0.00 C ATOM 1403 O ALA A 91 1.565 6.906 -0.997 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.126 4.220 -0.025 1.00 0.00 C ATOM 0 H ALA A 91 -0.770 5.110 2.126 1.00 0.00 H new ATOM 0 HA ALA A 91 1.664 5.168 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.274 4.021 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.015 3.342 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.190 4.445 -0.101 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.458 7.518 -0.257 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.419 8.818 -0.951 1.00 0.00 C ATOM 1412 C LYS A 92 0.679 9.746 -0.395 1.00 0.00 C ATOM 1413 O LYS A 92 1.403 10.374 -1.166 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.777 9.541 -0.905 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.025 8.726 -1.269 1.00 0.00 C ATOM 1416 CD LYS A 92 -2.978 7.919 -2.575 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.575 8.713 -3.830 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.530 9.808 -4.152 1.00 0.00 N ATOM 0 H LYS A 92 -1.322 7.338 0.254 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.182 8.589 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.914 9.935 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.726 10.397 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.228 8.034 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.871 9.410 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.277 7.095 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.960 7.478 -2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.581 9.136 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.510 8.033 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.166 10.361 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.453 9.401 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.639 10.428 -3.324 1.00 0.00 H new ATOM 1432 N LYS A 93 0.854 9.801 0.933 1.00 0.00 N ATOM 1433 CA LYS A 93 1.919 10.582 1.590 1.00 0.00 C ATOM 1434 C LYS A 93 3.334 10.082 1.231 1.00 0.00 C ATOM 1435 O LYS A 93 4.273 10.875 1.189 1.00 0.00 O ATOM 1436 CB LYS A 93 1.652 10.605 3.108 1.00 0.00 C ATOM 1437 CG LYS A 93 2.647 11.422 3.957 1.00 0.00 C ATOM 1438 CD LYS A 93 2.714 12.908 3.579 1.00 0.00 C ATOM 1439 CE LYS A 93 3.503 13.731 4.611 1.00 0.00 C ATOM 1440 NZ LYS A 93 4.962 13.450 4.578 1.00 0.00 N ATOM 0 H LYS A 93 0.256 9.301 1.590 1.00 0.00 H new ATOM 0 HA LYS A 93 1.892 11.605 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.651 11.002 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.652 9.578 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.369 11.337 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.641 10.986 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.181 13.012 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.703 13.306 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.338 14.792 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.119 13.518 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.471 14.194 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.148 12.528 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.290 13.431 3.591 1.00 0.00 H new ATOM 1454 N ILE A 94 3.479 8.798 0.889 1.00 0.00 N ATOM 1455 CA ILE A 94 4.710 8.242 0.302 1.00 0.00 C ATOM 1456 C ILE A 94 4.840 8.633 -1.177 1.00 0.00 C ATOM 1457 O ILE A 94 5.883 9.140 -1.583 1.00 0.00 O ATOM 1458 CB ILE A 94 4.761 6.710 0.493 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.849 6.334 1.989 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.983 6.167 -0.263 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.555 4.858 2.286 1.00 0.00 C ATOM 0 H ILE A 94 2.740 8.106 1.012 1.00 0.00 H new ATOM 0 HA ILE A 94 5.564 8.670 0.827 1.00 0.00 H new ATOM 0 HB ILE A 94 3.845 6.269 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.848 6.574 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.147 6.952 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.036 5.085 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.892 6.407 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.889 6.622 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.638 4.679 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.546 4.614 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.272 4.231 1.757 1.00 0.00 H new ATOM 1473 N TYR A 95 3.791 8.447 -1.983 1.00 0.00 N ATOM 1474 CA TYR A 95 3.774 8.744 -3.425 1.00 0.00 C ATOM 1475 C TYR A 95 4.116 10.212 -3.755 1.00 0.00 C ATOM 1476 O TYR A 95 4.722 10.497 -4.789 1.00 0.00 O ATOM 1477 CB TYR A 95 2.429 8.269 -4.016 1.00 0.00 C ATOM 1478 CG TYR A 95 1.819 9.082 -5.147 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.163 10.298 -4.865 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.840 8.593 -6.468 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.562 11.039 -5.901 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.242 9.328 -7.508 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.603 10.556 -7.230 1.00 0.00 C ATOM 1484 OH TYR A 95 0.020 11.263 -8.239 1.00 0.00 O ATOM 0 H TYR A 95 2.903 8.075 -1.645 1.00 0.00 H new ATOM 0 HA TYR A 95 4.578 8.187 -3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.563 7.248 -4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.703 8.229 -3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.121 10.663 -3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.318 7.649 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.070 11.975 -5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.272 8.952 -8.520 1.00 0.00 H new ATOM 0 HH TYR A 95 0.144 10.786 -9.086 1.00 0.00 H new ATOM 1494 N LYS A 96 3.830 11.130 -2.827 1.00 0.00 N ATOM 1495 CA LYS A 96 4.262 12.535 -2.840 1.00 0.00 C ATOM 1496 C LYS A 96 5.791 12.746 -2.899 1.00 0.00 C ATOM 1497 O LYS A 96 6.243 13.818 -3.316 1.00 0.00 O ATOM 1498 CB LYS A 96 3.687 13.192 -1.575 1.00 0.00 C ATOM 1499 CG LYS A 96 2.237 13.654 -1.793 1.00 0.00 C ATOM 1500 CD LYS A 96 1.683 14.392 -0.567 1.00 0.00 C ATOM 1501 CE LYS A 96 0.246 14.856 -0.847 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.317 15.640 0.285 1.00 0.00 N ATOM 0 H LYS A 96 3.265 10.906 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 96 3.889 12.988 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.724 12.485 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.304 14.045 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.191 14.309 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.609 12.790 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.700 13.736 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.313 15.250 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.231 15.464 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.385 13.988 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.288 15.934 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.327 15.052 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.270 16.483 0.449 1.00 0.00 H new ATOM 1516 N ARG A 97 6.589 11.752 -2.488 1.00 0.00 N ATOM 1517 CA ARG A 97 8.060 11.750 -2.559 1.00 0.00 C ATOM 1518 C ARG A 97 8.596 10.660 -3.500 1.00 0.00 C ATOM 1519 O ARG A 97 9.566 10.890 -4.221 1.00 0.00 O ATOM 1520 CB ARG A 97 8.663 11.564 -1.154 1.00 0.00 C ATOM 1521 CG ARG A 97 8.190 12.555 -0.071 1.00 0.00 C ATOM 1522 CD ARG A 97 8.227 14.045 -0.446 1.00 0.00 C ATOM 1523 NE ARG A 97 9.541 14.475 -0.960 1.00 0.00 N ATOM 1524 CZ ARG A 97 9.793 15.087 -2.115 1.00 0.00 C ATOM 1525 NH1 ARG A 97 8.862 15.320 -3.020 1.00 0.00 N ATOM 1526 NH2 ARG A 97 11.020 15.480 -2.381 1.00 0.00 N ATOM 0 H ARG A 97 6.216 10.894 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 97 8.361 12.716 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.436 10.553 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.748 11.637 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.167 12.297 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.806 12.411 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.465 14.244 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.972 14.641 0.430 1.00 0.00 H new ATOM 0 HE ARG A 97 10.346 14.282 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.900 15.027 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.104 15.793 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.766 15.315 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.225 15.950 -3.263 1.00 0.00 H new ATOM 1540 N HIS A 98 7.939 9.498 -3.528 1.00 0.00 N ATOM 1541 CA HIS A 98 8.352 8.288 -4.250 1.00 0.00 C ATOM 1542 C HIS A 98 7.128 7.581 -4.874 1.00 0.00 C ATOM 1543 O HIS A 98 6.604 6.618 -4.311 1.00 0.00 O ATOM 1544 CB HIS A 98 9.112 7.372 -3.271 1.00 0.00 C ATOM 1545 CG HIS A 98 10.345 7.986 -2.663 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.535 8.257 -3.340 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.476 8.370 -1.360 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.354 8.804 -2.425 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.746 8.885 -1.227 1.00 0.00 N ATOM 0 H HIS A 98 7.062 9.367 -3.024 1.00 0.00 H new ATOM 0 HA HIS A 98 9.015 8.548 -5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.435 7.080 -2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.398 6.460 -3.795 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.729 8.286 -0.584 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.363 9.134 -2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.154 9.262 -0.371 1.00 0.00 H new ATOM 1557 N ARG A 99 6.667 8.066 -6.041 1.00 0.00 N ATOM 1558 CA ARG A 99 5.387 7.673 -6.669 1.00 0.00 C ATOM 1559 C ARG A 99 5.137 6.157 -6.760 1.00 0.00 C ATOM 1560 O ARG A 99 4.048 5.704 -6.418 1.00 0.00 O ATOM 1561 CB ARG A 99 5.171 8.384 -8.021 1.00 0.00 C ATOM 1562 CG ARG A 99 6.011 7.931 -9.229 1.00 0.00 C ATOM 1563 CD ARG A 99 7.501 8.287 -9.144 1.00 0.00 C ATOM 1564 NE ARG A 99 8.203 7.913 -10.385 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.497 8.069 -10.642 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.325 8.618 -9.776 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.984 7.666 -11.795 1.00 0.00 N ATOM 0 H ARG A 99 7.182 8.756 -6.587 1.00 0.00 H new ATOM 0 HA ARG A 99 4.623 8.024 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.120 8.276 -8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.354 9.448 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.915 6.851 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.595 8.379 -10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.614 9.356 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.954 7.773 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 99 7.637 7.491 -11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.978 8.940 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.313 8.721 -10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.369 7.236 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.977 7.783 -11.998 1.00 0.00 H new ATOM 1581 N PHE A 100 6.169 5.386 -7.123 1.00 0.00 N ATOM 1582 CA PHE A 100 6.191 3.919 -7.059 1.00 0.00 C ATOM 1583 C PHE A 100 7.543 3.355 -6.567 1.00 0.00 C ATOM 1584 O PHE A 100 7.655 2.159 -6.309 1.00 0.00 O ATOM 1585 CB PHE A 100 5.834 3.332 -8.435 1.00 0.00 C ATOM 1586 CG PHE A 100 4.491 3.736 -9.017 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.301 3.382 -8.354 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.424 4.447 -10.231 1.00 0.00 C ATOM 1589 CE1 PHE A 100 2.055 3.746 -8.889 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.176 4.818 -10.764 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.992 4.467 -10.092 1.00 0.00 C ATOM 0 H PHE A 100 7.040 5.778 -7.481 1.00 0.00 H new ATOM 0 HA PHE A 100 5.445 3.619 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.612 3.621 -9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.860 2.245 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.347 2.827 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.332 4.708 -10.754 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.145 3.471 -8.375 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.127 5.373 -11.690 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.034 4.752 -10.501 1.00 0.00 H new ATOM 1601 N ASP A 101 8.571 4.202 -6.410 1.00 0.00 N ATOM 1602 CA ASP A 101 9.953 3.795 -6.094 1.00 0.00 C ATOM 1603 C ASP A 101 10.149 3.317 -4.640 1.00 0.00 C ATOM 1604 O ASP A 101 11.148 2.665 -4.333 1.00 0.00 O ATOM 1605 CB ASP A 101 10.893 4.965 -6.435 1.00 0.00 C ATOM 1606 CG ASP A 101 12.383 4.631 -6.229 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.858 3.619 -6.795 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.078 5.388 -5.514 1.00 0.00 O ATOM 0 H ASP A 101 8.465 5.212 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 101 10.192 2.923 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.734 5.259 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.632 5.824 -5.817 1.00 0.00 H new ATOM 1613 N ALA A 102 9.183 3.573 -3.752 1.00 0.00 N ATOM 1614 CA ALA A 102 9.177 3.036 -2.388 1.00 0.00 C ATOM 1615 C ALA A 102 8.823 1.532 -2.319 1.00 0.00 C ATOM 1616 O ALA A 102 8.953 0.925 -1.253 1.00 0.00 O ATOM 1617 CB ALA A 102 8.226 3.888 -1.541 1.00 0.00 C ATOM 0 H ALA A 102 8.378 4.163 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 102 10.190 3.096 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.206 3.506 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.572 4.922 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.223 3.844 -1.965 1.00 0.00 H new ATOM 1623 N TRP A 103 8.411 0.927 -3.441 1.00 0.00 N ATOM 1624 CA TRP A 103 7.924 -0.453 -3.519 1.00 0.00 C ATOM 1625 C TRP A 103 8.662 -1.278 -4.577 1.00 0.00 C ATOM 1626 O TRP A 103 8.451 -1.142 -5.783 1.00 0.00 O ATOM 1627 CB TRP A 103 6.414 -0.422 -3.769 1.00 0.00 C ATOM 1628 CG TRP A 103 5.620 0.227 -2.678 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.273 -0.359 -1.514 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.077 1.583 -2.615 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.530 0.519 -0.756 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.343 1.723 -1.399 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.125 2.705 -3.466 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.642 2.895 -1.075 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.434 3.888 -3.152 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.675 3.978 -1.971 1.00 0.00 C ATOM 0 H TRP A 103 8.408 1.400 -4.345 1.00 0.00 H new ATOM 0 HA TRP A 103 8.127 -0.953 -2.572 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.223 0.106 -4.704 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.059 -1.444 -3.902 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.538 -1.364 -1.221 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.162 0.303 0.171 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.704 2.655 -4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.086 2.964 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.486 4.734 -3.822 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.119 4.878 -1.753 1.00 0.00 H new ATOM 1647 N TYR A 104 9.500 -2.195 -4.095 1.00 0.00 N ATOM 1648 CA TYR A 104 10.161 -3.249 -4.871 1.00 0.00 C ATOM 1649 C TYR A 104 9.177 -4.083 -5.716 1.00 0.00 C ATOM 1650 O TYR A 104 9.484 -4.439 -6.858 1.00 0.00 O ATOM 1651 CB TYR A 104 10.900 -4.126 -3.854 1.00 0.00 C ATOM 1652 CG TYR A 104 11.379 -5.456 -4.389 1.00 0.00 C ATOM 1653 CD1 TYR A 104 12.562 -5.536 -5.145 1.00 0.00 C ATOM 1654 CD2 TYR A 104 10.616 -6.611 -4.138 1.00 0.00 C ATOM 1655 CE1 TYR A 104 13.000 -6.783 -5.633 1.00 0.00 C ATOM 1656 CE2 TYR A 104 11.041 -7.857 -4.632 1.00 0.00 C ATOM 1657 CZ TYR A 104 12.236 -7.947 -5.381 1.00 0.00 C ATOM 1658 OH TYR A 104 12.632 -9.152 -5.878 1.00 0.00 O ATOM 0 H TYR A 104 9.750 -2.227 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 104 10.843 -2.806 -5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.759 -3.572 -3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.240 -4.309 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.134 -4.643 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.703 -6.541 -3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.918 -6.850 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.455 -8.744 -4.439 1.00 0.00 H new ATOM 0 HH TYR A 104 12.130 -9.869 -5.437 1.00 0.00 H new ATOM 1668 N GLY A 105 7.966 -4.317 -5.198 1.00 0.00 N ATOM 1669 CA GLY A 105 6.872 -5.012 -5.885 1.00 0.00 C ATOM 1670 C GLY A 105 6.370 -4.298 -7.143 1.00 0.00 C ATOM 1671 O GLY A 105 5.678 -4.919 -7.944 1.00 0.00 O ATOM 0 H GLY A 105 7.712 -4.017 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.206 -6.013 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.040 -5.132 -5.191 1.00 0.00 H new ATOM 1675 N TRP A 106 6.736 -3.028 -7.354 1.00 0.00 N ATOM 1676 CA TRP A 106 6.519 -2.328 -8.619 1.00 0.00 C ATOM 1677 C TRP A 106 7.763 -2.348 -9.520 1.00 0.00 C ATOM 1678 O TRP A 106 7.693 -2.838 -10.651 1.00 0.00 O ATOM 1679 CB TRP A 106 5.993 -0.914 -8.366 1.00 0.00 C ATOM 1680 CG TRP A 106 5.706 -0.155 -9.624 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.553 -0.184 -10.329 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.608 0.711 -10.376 1.00 0.00 C ATOM 1683 NE1 TRP A 106 4.690 0.579 -11.474 1.00 0.00 N ATOM 1684 CE2 TRP A 106 5.940 1.155 -11.553 1.00 0.00 C ATOM 1685 CE3 TRP A 106 7.927 1.167 -10.170 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.564 1.984 -12.498 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.565 1.995 -11.110 1.00 0.00 C ATOM 1688 CH2 TRP A 106 7.888 2.401 -12.275 1.00 0.00 C ATOM 0 H TRP A 106 7.194 -2.456 -6.645 1.00 0.00 H new ATOM 0 HA TRP A 106 5.752 -2.868 -9.174 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.082 -0.974 -7.770 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.724 -0.362 -7.776 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.661 -0.721 -10.042 1.00 0.00 H new ATOM 0 HE1 TRP A 106 3.957 0.701 -12.173 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.456 0.875 -9.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.034 2.298 -13.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.580 2.321 -10.937 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.385 3.032 -12.997 1.00 0.00 H new ATOM 1699 N LYS A 107 8.913 -1.855 -9.046 1.00 0.00 N ATOM 1700 CA LYS A 107 10.112 -1.683 -9.892 1.00 0.00 C ATOM 1701 C LYS A 107 10.803 -2.990 -10.328 1.00 0.00 C ATOM 1702 O LYS A 107 11.551 -2.972 -11.305 1.00 0.00 O ATOM 1703 CB LYS A 107 11.102 -0.675 -9.278 1.00 0.00 C ATOM 1704 CG LYS A 107 11.354 -0.809 -7.772 1.00 0.00 C ATOM 1705 CD LYS A 107 12.466 0.156 -7.350 1.00 0.00 C ATOM 1706 CE LYS A 107 12.616 0.192 -5.826 1.00 0.00 C ATOM 1707 NZ LYS A 107 13.588 1.237 -5.418 1.00 0.00 N ATOM 0 H LYS A 107 9.044 -1.565 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 107 9.734 -1.263 -10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.056 -0.773 -9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.734 0.332 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.440 -0.591 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.636 -1.834 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.409 -0.150 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.243 1.157 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.648 0.389 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.949 -0.781 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.539 1.374 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.549 0.939 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.358 2.131 -5.897 1.00 0.00 H new ATOM 1721 N ASN A 108 10.513 -4.122 -9.678 1.00 0.00 N ATOM 1722 CA ASN A 108 11.037 -5.442 -10.057 1.00 0.00 C ATOM 1723 C ASN A 108 9.968 -6.429 -10.576 1.00 0.00 C ATOM 1724 O ASN A 108 10.336 -7.481 -11.101 1.00 0.00 O ATOM 1725 CB ASN A 108 11.842 -6.020 -8.881 1.00 0.00 C ATOM 1726 CG ASN A 108 13.121 -5.224 -8.629 1.00 0.00 C ATOM 1727 OD1 ASN A 108 13.107 -4.124 -8.089 1.00 0.00 O ATOM 1728 ND2 ASN A 108 14.269 -5.750 -9.020 1.00 0.00 N ATOM 0 H ASN A 108 9.900 -4.149 -8.863 1.00 0.00 H new ATOM 0 HA ASN A 108 11.693 -5.296 -10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.227 -6.015 -7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.095 -7.060 -9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.140 -5.240 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 108 14.284 -6.665 -9.470 1.00 0.00 H new ATOM 1735 N HIS A 109 8.664 -6.109 -10.476 1.00 0.00 N ATOM 1736 CA HIS A 109 7.572 -7.066 -10.766 1.00 0.00 C ATOM 1737 C HIS A 109 6.346 -6.503 -11.533 1.00 0.00 C ATOM 1738 O HIS A 109 5.523 -7.288 -12.012 1.00 0.00 O ATOM 1739 CB HIS A 109 7.161 -7.761 -9.455 1.00 0.00 C ATOM 1740 CG HIS A 109 8.257 -8.562 -8.804 1.00 0.00 C ATOM 1741 ND1 HIS A 109 8.618 -9.865 -9.157 1.00 0.00 N ATOM 1742 CD2 HIS A 109 9.072 -8.131 -7.799 1.00 0.00 C ATOM 1743 CE1 HIS A 109 9.651 -10.181 -8.358 1.00 0.00 C ATOM 1744 NE2 HIS A 109 9.947 -9.161 -7.535 1.00 0.00 N ATOM 0 H HIS A 109 8.336 -5.185 -10.194 1.00 0.00 H new ATOM 0 HA HIS A 109 7.983 -7.783 -11.477 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.813 -7.005 -8.751 1.00 0.00 H new ATOM 0 HB3 HIS A 109 6.317 -8.420 -9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.038 -7.170 -7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 109 10.173 -11.127 -8.375 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.690 -9.151 -6.836 1.00 0.00 H new ATOM 1752 N CYS A 110 6.246 -5.182 -11.746 1.00 0.00 N ATOM 1753 CA CYS A 110 5.216 -4.547 -12.602 1.00 0.00 C ATOM 1754 C CYS A 110 5.740 -4.096 -13.981 1.00 0.00 C ATOM 1755 O CYS A 110 4.993 -3.503 -14.761 1.00 0.00 O ATOM 1756 CB CYS A 110 4.595 -3.355 -11.859 1.00 0.00 C ATOM 1757 SG CYS A 110 3.642 -3.784 -10.384 1.00 0.00 S ATOM 0 H CYS A 110 6.886 -4.509 -11.324 1.00 0.00 H new ATOM 0 HA CYS A 110 4.464 -5.311 -12.802 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.393 -2.671 -11.571 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.945 -2.815 -12.548 1.00 0.00 H new ATOM 0 HG CYS A 110 2.713 -4.636 -10.700 1.00 0.00 H new ATOM 1762 N GLN A 111 7.019 -4.339 -14.289 1.00 0.00 N ATOM 1763 CA GLN A 111 7.689 -3.778 -15.471 1.00 0.00 C ATOM 1764 C GLN A 111 7.495 -4.619 -16.747 1.00 0.00 C ATOM 1765 O GLN A 111 7.629 -4.086 -17.851 1.00 0.00 O ATOM 1766 CB GLN A 111 9.191 -3.593 -15.180 1.00 0.00 C ATOM 1767 CG GLN A 111 9.507 -2.754 -13.927 1.00 0.00 C ATOM 1768 CD GLN A 111 8.867 -1.362 -13.942 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.081 -0.557 -14.839 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.054 -1.027 -12.961 1.00 0.00 N ATOM 0 H GLN A 111 7.623 -4.934 -13.722 1.00 0.00 H new ATOM 0 HA GLN A 111 7.220 -2.814 -15.668 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.649 -4.576 -15.067 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.659 -3.121 -16.044 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.164 -3.293 -13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.588 -2.647 -13.835 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.866 -1.687 -12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.613 -0.107 -12.956 1.00 0.00 H new ATOM 1779 N GLY A 112 7.162 -5.913 -16.620 1.00 0.00 N ATOM 1780 CA GLY A 112 6.953 -6.820 -17.760 1.00 0.00 C ATOM 1781 C GLY A 112 5.535 -6.759 -18.335 1.00 0.00 C ATOM 1782 O GLY A 112 5.359 -6.852 -19.549 1.00 0.00 O ATOM 0 H GLY A 112 7.029 -6.364 -15.715 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.667 -6.573 -18.546 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.166 -7.842 -17.445 1.00 0.00 H new ATOM 1786 N SER A 113 4.529 -6.587 -17.476 1.00 0.00 N ATOM 1787 CA SER A 113 3.097 -6.523 -17.812 1.00 0.00 C ATOM 1788 C SER A 113 2.263 -6.117 -16.580 1.00 0.00 C ATOM 1789 O SER A 113 2.677 -6.354 -15.439 1.00 0.00 O ATOM 1790 CB SER A 113 2.606 -7.879 -18.354 1.00 0.00 C ATOM 1791 OG SER A 113 1.302 -7.764 -18.906 1.00 0.00 O ATOM 0 H SER A 113 4.694 -6.483 -16.475 1.00 0.00 H new ATOM 0 HA SER A 113 2.967 -5.766 -18.586 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.296 -8.242 -19.115 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.601 -8.616 -17.551 1.00 0.00 H new ATOM 0 HG SER A 113 1.012 -8.637 -19.245 1.00 0.00 H new ATOM 1797 N LEU A 114 1.087 -5.512 -16.801 1.00 0.00 N ATOM 1798 CA LEU A 114 0.113 -5.136 -15.772 1.00 0.00 C ATOM 1799 C LEU A 114 -1.231 -5.874 -15.964 1.00 0.00 C ATOM 1800 O LEU A 114 -1.606 -6.159 -17.108 1.00 0.00 O ATOM 1801 CB LEU A 114 -0.110 -3.618 -15.848 1.00 0.00 C ATOM 1802 CG LEU A 114 1.101 -2.766 -15.421 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.825 -1.310 -15.799 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.367 -2.865 -13.913 1.00 0.00 C ATOM 0 H LEU A 114 0.778 -5.262 -17.740 1.00 0.00 H new ATOM 0 HA LEU A 114 0.504 -5.420 -14.795 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.379 -3.355 -16.871 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.960 -3.358 -15.218 1.00 0.00 H new ATOM 0 HG LEU A 114 1.987 -3.140 -15.933 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.672 -0.691 -15.504 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.678 -1.235 -16.877 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.073 -0.965 -15.286 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.229 -2.250 -13.654 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.493 -2.513 -13.365 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.569 -3.902 -13.647 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.995 -6.126 -14.882 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.329 -6.707 -14.951 1.00 0.00 C ATOM 1818 C PRO A 115 -4.324 -5.709 -15.549 1.00 0.00 C ATOM 1819 O PRO A 115 -4.166 -4.496 -15.411 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.695 -7.051 -13.507 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.950 -5.996 -12.693 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.670 -5.797 -13.502 1.00 0.00 C ATOM 0 HA PRO A 115 -3.357 -7.588 -15.592 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.771 -7.000 -13.342 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.379 -8.060 -13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.522 -5.072 -12.605 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.740 -6.339 -11.680 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.317 -4.769 -13.422 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.872 -6.438 -13.128 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.366 -6.224 -16.204 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.494 -5.424 -16.687 1.00 0.00 C ATOM 1832 C ASP A 116 -7.487 -5.091 -15.555 1.00 0.00 C ATOM 1833 O ASP A 116 -7.688 -5.857 -14.610 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.178 -6.152 -17.858 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.341 -5.361 -18.489 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.311 -4.105 -18.480 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.295 -6.004 -18.984 1.00 0.00 O ATOM 0 H ASP A 116 -5.452 -7.218 -16.416 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.115 -4.468 -17.048 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.435 -6.362 -18.627 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.553 -7.113 -17.507 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.123 -3.928 -15.689 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.117 -3.349 -14.767 1.00 0.00 C ATOM 1844 C ILE A 117 -10.406 -2.907 -15.483 1.00 0.00 C ATOM 1845 O ILE A 117 -11.320 -2.395 -14.848 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.496 -2.162 -13.997 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -8.065 -1.052 -14.987 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.339 -2.633 -13.095 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.702 0.256 -14.298 1.00 0.00 C ATOM 0 H ILE A 117 -7.952 -3.322 -16.492 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.400 -4.134 -14.066 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.248 -1.734 -13.335 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.209 -1.401 -15.564 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.874 -0.871 -15.694 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.920 -1.778 -12.565 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.713 -3.360 -12.374 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.565 -3.095 -13.708 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.409 0.992 -15.046 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.564 0.626 -13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.873 0.087 -13.611 1.00 0.00 H new ATOM 1861 N SER A 118 -10.493 -3.077 -16.802 1.00 0.00 N ATOM 1862 CA SER A 118 -11.611 -2.589 -17.633 1.00 0.00 C ATOM 1863 C SER A 118 -12.975 -3.232 -17.297 1.00 0.00 C ATOM 1864 O SER A 118 -14.024 -2.685 -17.641 1.00 0.00 O ATOM 1865 CB SER A 118 -11.301 -2.805 -19.124 1.00 0.00 C ATOM 1866 OG SER A 118 -10.054 -2.240 -19.510 1.00 0.00 O ATOM 0 H SER A 118 -9.778 -3.566 -17.340 1.00 0.00 H new ATOM 0 HA SER A 118 -11.702 -1.527 -17.407 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.294 -3.874 -19.339 1.00 0.00 H new ATOM 0 HB3 SER A 118 -12.097 -2.365 -19.724 1.00 0.00 H new ATOM 0 HG SER A 118 -9.323 -2.798 -19.171 1.00 0.00 H new ATOM 1872 N SER A 119 -12.984 -4.369 -16.596 1.00 0.00 N ATOM 1873 CA SER A 119 -14.189 -5.039 -16.085 1.00 0.00 C ATOM 1874 C SER A 119 -14.688 -4.481 -14.732 1.00 0.00 C ATOM 1875 O SER A 119 -15.757 -4.885 -14.262 1.00 0.00 O ATOM 1876 CB SER A 119 -13.901 -6.543 -15.932 1.00 0.00 C ATOM 1877 OG SER A 119 -13.404 -7.133 -17.131 1.00 0.00 O ATOM 0 H SER A 119 -12.126 -4.867 -16.359 1.00 0.00 H new ATOM 0 HA SER A 119 -14.981 -4.853 -16.811 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.176 -6.690 -15.132 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.815 -7.055 -15.632 1.00 0.00 H new ATOM 0 HG SER A 119 -13.236 -8.087 -16.981 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.931 -3.574 -14.095 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.195 -3.025 -12.761 1.00 0.00 C ATOM 1885 C CYS A 120 -14.941 -1.675 -12.824 1.00 0.00 C ATOM 1886 O CYS A 120 -14.441 -0.723 -13.469 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.860 -2.892 -12.011 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.827 -4.382 -11.968 1.00 0.00 S ATOM 1889 OXT CYS A 120 -16.000 -1.552 -12.171 1.00 0.00 O ATOM 0 H CYS A 120 -13.085 -3.189 -14.515 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.853 -3.708 -12.223 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.285 -2.088 -12.470 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.070 -2.588 -10.985 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.496 -5.358 -11.429 1.00 0.00 H new TER 1894 CYS A 120