USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 569 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 56 ASN : amide:sc= 0.236 K(o=0.35,f=-11!) USER MOD Set 1.2: A 57 THR OG1 : rot 30:sc= 0.118 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= -0.585 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 138:sc= 1.26 (180deg=0.321) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc=-0.00237 (180deg=-0.0449) USER MOD Single : A 3 GLN : amide:sc= -3.03 K(o=-3,f=-6!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.2) USER MOD Single : A 15 SER OG : rot 169:sc= 0.248 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 27:sc= 1.27 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.756 K(o=-0.76,f=-13!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -2.26! C(o=-5.1!,f=-2.3!) USER MOD Single : A 59 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.1!) USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= 0.503 (180deg=-0.351) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.610 4.575 -2.901 1.00 0.00 N ATOM 2 CA MET A 1 -9.847 5.218 -1.577 1.00 0.00 C ATOM 3 C MET A 1 -8.645 4.993 -0.656 1.00 0.00 C ATOM 4 O MET A 1 -8.797 4.732 0.523 1.00 0.00 O ATOM 5 CB MET A 1 -11.090 4.525 -1.017 1.00 0.00 C ATOM 6 CG MET A 1 -11.941 5.541 -0.253 1.00 0.00 C ATOM 7 SD MET A 1 -13.675 5.022 -0.287 1.00 0.00 S ATOM 8 CE MET A 1 -14.158 5.740 1.303 1.00 0.00 C ATOM 0 H1 MET A 1 -10.465 4.661 -3.487 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.814 5.045 -3.378 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.385 3.569 -2.763 1.00 0.00 H new ATOM 0 HA MET A 1 -9.984 6.296 -1.660 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.671 4.085 -1.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.798 3.709 -0.356 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.594 5.620 0.777 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.837 6.529 -0.701 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.212 5.536 1.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.557 5.299 2.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.996 6.818 1.280 1.00 0.00 H new ATOM 20 N VAL A 2 -7.453 5.100 -1.187 1.00 0.00 N ATOM 21 CA VAL A 2 -6.232 4.905 -0.344 1.00 0.00 C ATOM 22 C VAL A 2 -6.169 5.970 0.756 1.00 0.00 C ATOM 23 O VAL A 2 -6.044 7.149 0.483 1.00 0.00 O ATOM 24 CB VAL A 2 -5.044 5.043 -1.305 1.00 0.00 C ATOM 25 CG1 VAL A 2 -5.133 3.956 -2.380 1.00 0.00 C ATOM 26 CG2 VAL A 2 -5.067 6.424 -1.974 1.00 0.00 C ATOM 0 H VAL A 2 -7.272 5.314 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.232 3.936 0.155 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.116 4.933 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.290 4.051 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.107 2.974 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.065 4.068 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.220 6.513 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.995 6.542 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.002 7.199 -1.211 1.00 0.00 H new ATOM 36 N GLN A 3 -6.231 5.557 1.996 1.00 0.00 N ATOM 37 CA GLN A 3 -6.147 6.534 3.123 1.00 0.00 C ATOM 38 C GLN A 3 -5.223 5.998 4.220 1.00 0.00 C ATOM 39 O GLN A 3 -4.645 4.936 4.090 1.00 0.00 O ATOM 40 CB GLN A 3 -7.580 6.662 3.645 1.00 0.00 C ATOM 41 CG GLN A 3 -8.250 7.883 3.009 1.00 0.00 C ATOM 42 CD GLN A 3 -9.053 7.446 1.782 1.00 0.00 C ATOM 43 OE1 GLN A 3 -10.121 6.881 1.909 1.00 0.00 O ATOM 44 NE2 GLN A 3 -8.580 7.686 0.589 1.00 0.00 N ATOM 0 H GLN A 3 -6.337 4.582 2.277 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.741 7.495 2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.146 5.760 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.575 6.761 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.906 8.368 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.496 8.615 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.683 8.160 0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.107 7.399 -0.236 1.00 0.00 H new ATOM 53 N ARG A 4 -5.125 6.702 5.319 1.00 0.00 N ATOM 54 CA ARG A 4 -4.290 6.210 6.458 1.00 0.00 C ATOM 55 C ARG A 4 -4.986 5.037 7.154 1.00 0.00 C ATOM 56 O ARG A 4 -6.005 5.202 7.797 1.00 0.00 O ATOM 57 CB ARG A 4 -4.168 7.401 7.410 1.00 0.00 C ATOM 58 CG ARG A 4 -2.909 8.201 7.069 1.00 0.00 C ATOM 59 CD ARG A 4 -1.742 7.712 7.930 1.00 0.00 C ATOM 60 NE ARG A 4 -1.916 8.405 9.244 1.00 0.00 N ATOM 61 CZ ARG A 4 -1.614 9.679 9.393 1.00 0.00 C ATOM 62 NH1 ARG A 4 -1.189 10.410 8.387 1.00 0.00 N ATOM 63 NH2 ARG A 4 -1.741 10.230 10.570 1.00 0.00 N ATOM 0 H ARG A 4 -5.587 7.597 5.477 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.314 5.853 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.049 8.037 7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.122 7.052 8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.668 8.086 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.082 9.263 7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.765 6.629 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.784 7.962 7.475 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.276 7.881 10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.086 9.993 7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.963 11.394 8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.070 9.675 11.360 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.511 11.215 10.699 1.00 0.00 H new ATOM 77 N GLY A 5 -4.444 3.853 7.020 1.00 0.00 N ATOM 78 CA GLY A 5 -5.071 2.659 7.661 1.00 0.00 C ATOM 79 C GLY A 5 -5.644 1.739 6.580 1.00 0.00 C ATOM 80 O GLY A 5 -5.687 0.534 6.741 1.00 0.00 O ATOM 0 H GLY A 5 -3.592 3.662 6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.332 2.122 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.862 2.972 8.343 1.00 0.00 H new ATOM 84 N SER A 6 -6.067 2.299 5.475 1.00 0.00 N ATOM 85 CA SER A 6 -6.621 1.459 4.368 1.00 0.00 C ATOM 86 C SER A 6 -5.549 0.498 3.848 1.00 0.00 C ATOM 87 O SER A 6 -4.447 0.901 3.524 1.00 0.00 O ATOM 88 CB SER A 6 -7.030 2.448 3.275 1.00 0.00 C ATOM 89 OG SER A 6 -8.238 2.006 2.671 1.00 0.00 O ATOM 0 H SER A 6 -6.053 3.302 5.291 1.00 0.00 H new ATOM 0 HA SER A 6 -7.463 0.851 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.165 3.443 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.242 2.526 2.526 1.00 0.00 H new ATOM 0 HG SER A 6 -8.504 2.638 1.971 1.00 0.00 H new ATOM 95 N LYS A 7 -5.879 -0.763 3.731 1.00 0.00 N ATOM 96 CA LYS A 7 -4.898 -1.752 3.190 1.00 0.00 C ATOM 97 C LYS A 7 -5.074 -1.896 1.675 1.00 0.00 C ATOM 98 O LYS A 7 -6.163 -2.135 1.189 1.00 0.00 O ATOM 99 CB LYS A 7 -5.232 -3.067 3.896 1.00 0.00 C ATOM 100 CG LYS A 7 -4.551 -3.099 5.266 1.00 0.00 C ATOM 101 CD LYS A 7 -5.519 -2.576 6.329 1.00 0.00 C ATOM 102 CE LYS A 7 -6.552 -3.657 6.658 1.00 0.00 C ATOM 103 NZ LYS A 7 -5.859 -4.574 7.606 1.00 0.00 N ATOM 0 H LYS A 7 -6.787 -1.151 3.987 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.866 -1.447 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.311 -3.166 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.898 -3.911 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.244 -4.117 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.648 -2.489 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.971 -2.296 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.020 -1.677 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.446 -3.225 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.871 -4.185 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.054 -5.560 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.834 -4.401 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.205 -4.401 8.572 1.00 0.00 H new ATOM 117 N VAL A 8 -4.006 -1.757 0.931 1.00 0.00 N ATOM 118 CA VAL A 8 -4.100 -1.889 -0.555 1.00 0.00 C ATOM 119 C VAL A 8 -3.235 -3.059 -1.040 1.00 0.00 C ATOM 120 O VAL A 8 -2.329 -3.496 -0.356 1.00 0.00 O ATOM 121 CB VAL A 8 -3.580 -0.560 -1.113 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.474 0.582 -0.627 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.143 -0.316 -0.634 1.00 0.00 C ATOM 0 H VAL A 8 -3.072 -1.558 1.289 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.119 -2.092 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.594 -0.602 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.104 1.528 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.495 0.418 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.461 0.616 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.781 0.631 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.124 -0.279 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.501 -1.126 -0.981 1.00 0.00 H new ATOM 133 N ARG A 9 -3.475 -3.525 -2.239 1.00 0.00 N ATOM 134 CA ARG A 9 -2.630 -4.621 -2.806 1.00 0.00 C ATOM 135 C ARG A 9 -1.304 -4.054 -3.317 1.00 0.00 C ATOM 136 O ARG A 9 -1.224 -2.908 -3.720 1.00 0.00 O ATOM 137 CB ARG A 9 -3.449 -5.197 -3.962 1.00 0.00 C ATOM 138 CG ARG A 9 -4.336 -6.331 -3.447 1.00 0.00 C ATOM 139 CD ARG A 9 -3.620 -7.670 -3.637 1.00 0.00 C ATOM 140 NE ARG A 9 -4.681 -8.613 -4.104 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.624 -9.045 -3.289 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.699 -8.635 -2.044 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.504 -9.902 -3.731 1.00 0.00 N ATOM 0 H ARG A 9 -4.221 -3.194 -2.851 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.386 -5.380 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.063 -4.416 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.785 -5.567 -4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.566 -6.176 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.285 -6.336 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.816 -7.587 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.170 -8.013 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.676 -8.929 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.018 -7.966 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.439 -8.985 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.457 -10.229 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.238 -10.244 -3.111 1.00 0.00 H new ATOM 157 N ILE A 10 -0.268 -4.854 -3.317 1.00 0.00 N ATOM 158 CA ILE A 10 1.056 -4.375 -3.818 1.00 0.00 C ATOM 159 C ILE A 10 1.267 -4.833 -5.264 1.00 0.00 C ATOM 160 O ILE A 10 1.098 -5.994 -5.586 1.00 0.00 O ATOM 161 CB ILE A 10 2.094 -5.020 -2.889 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.831 -4.597 -1.433 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.503 -4.584 -3.304 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.924 -3.071 -1.294 1.00 0.00 C ATOM 0 H ILE A 10 -0.282 -5.820 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 10 1.131 -3.288 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 10 2.014 -6.104 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.844 -4.937 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.555 -5.074 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.236 -5.044 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.694 -4.898 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.583 -3.499 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.736 -2.788 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.921 -2.739 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.182 -2.601 -1.939 1.00 0.00 H new ATOM 176 N LEU A 11 1.702 -3.942 -6.120 1.00 0.00 N ATOM 177 CA LEU A 11 2.007 -4.334 -7.528 1.00 0.00 C ATOM 178 C LEU A 11 3.493 -4.117 -7.825 1.00 0.00 C ATOM 179 O LEU A 11 3.861 -3.666 -8.893 1.00 0.00 O ATOM 180 CB LEU A 11 1.144 -3.407 -8.394 1.00 0.00 C ATOM 181 CG LEU A 11 -0.272 -3.982 -8.558 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.206 -5.346 -9.251 1.00 0.00 C ATOM 183 CD2 LEU A 11 -0.933 -4.140 -7.183 1.00 0.00 C ATOM 0 H LEU A 11 1.859 -2.958 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 11 1.794 -5.386 -7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.090 -2.419 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.606 -3.280 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.862 -3.297 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.214 -5.746 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.251 -5.233 -10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.392 -6.031 -8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.936 -4.548 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.339 -4.817 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.994 -3.167 -6.695 1.00 0.00 H new ATOM 195 N ARG A 12 4.347 -4.464 -6.896 1.00 0.00 N ATOM 196 CA ARG A 12 5.815 -4.313 -7.125 1.00 0.00 C ATOM 197 C ARG A 12 6.493 -5.694 -7.146 1.00 0.00 C ATOM 198 O ARG A 12 6.971 -6.154 -6.128 1.00 0.00 O ATOM 199 CB ARG A 12 6.317 -3.487 -5.940 1.00 0.00 C ATOM 200 CG ARG A 12 7.618 -2.779 -6.323 1.00 0.00 C ATOM 201 CD ARG A 12 7.933 -1.692 -5.291 1.00 0.00 C ATOM 202 NE ARG A 12 9.408 -1.789 -5.061 1.00 0.00 N ATOM 203 CZ ARG A 12 10.094 -0.781 -4.559 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.508 0.337 -4.198 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.386 -0.898 -4.416 1.00 0.00 N ATOM 0 H ARG A 12 4.090 -4.847 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 12 6.038 -3.835 -8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.564 -2.754 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.483 -4.133 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.435 -3.498 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.525 -2.337 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.656 -0.705 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.378 -1.853 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 12 9.894 -2.654 -5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.499 0.441 -4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.062 1.102 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.853 -1.762 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.928 -0.126 -4.029 1.00 0.00 H new ATOM 219 N PRO A 13 6.517 -6.319 -8.308 1.00 0.00 N ATOM 220 CA PRO A 13 7.150 -7.663 -8.437 1.00 0.00 C ATOM 221 C PRO A 13 8.583 -7.654 -7.886 1.00 0.00 C ATOM 222 O PRO A 13 9.083 -8.661 -7.421 1.00 0.00 O ATOM 223 CB PRO A 13 7.160 -7.912 -9.944 1.00 0.00 C ATOM 224 CG PRO A 13 6.053 -7.066 -10.481 1.00 0.00 C ATOM 225 CD PRO A 13 5.966 -5.855 -9.593 1.00 0.00 C ATOM 0 HA PRO A 13 6.617 -8.432 -7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.118 -7.635 -10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.998 -8.966 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.253 -6.776 -11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.111 -7.615 -10.481 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.541 -5.021 -9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.937 -5.511 -9.486 1.00 0.00 H new ATOM 233 N GLU A 14 9.224 -6.513 -7.895 1.00 0.00 N ATOM 234 CA GLU A 14 10.604 -6.417 -7.329 1.00 0.00 C ATOM 235 C GLU A 14 10.554 -6.454 -5.799 1.00 0.00 C ATOM 236 O GLU A 14 11.492 -6.879 -5.150 1.00 0.00 O ATOM 237 CB GLU A 14 11.145 -5.071 -7.816 1.00 0.00 C ATOM 238 CG GLU A 14 11.831 -5.256 -9.171 1.00 0.00 C ATOM 239 CD GLU A 14 13.319 -5.533 -8.956 1.00 0.00 C ATOM 240 OE1 GLU A 14 13.940 -4.788 -8.215 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.815 -6.485 -9.536 1.00 0.00 O ATOM 0 H GLU A 14 8.850 -5.642 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 14 11.236 -7.247 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.332 -4.351 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.852 -4.667 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.371 -6.082 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.701 -4.362 -9.781 1.00 0.00 H new ATOM 248 N SER A 15 9.466 -6.010 -5.221 1.00 0.00 N ATOM 249 CA SER A 15 9.350 -6.012 -3.731 1.00 0.00 C ATOM 250 C SER A 15 9.008 -7.418 -3.229 1.00 0.00 C ATOM 251 O SER A 15 8.173 -8.101 -3.791 1.00 0.00 O ATOM 252 CB SER A 15 8.211 -5.040 -3.418 1.00 0.00 C ATOM 253 OG SER A 15 8.287 -4.655 -2.051 1.00 0.00 O ATOM 0 H SER A 15 8.653 -5.646 -5.717 1.00 0.00 H new ATOM 0 HA SER A 15 10.281 -5.718 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.280 -4.162 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.249 -5.510 -3.623 1.00 0.00 H new ATOM 0 HG SER A 15 7.682 -3.901 -1.889 1.00 0.00 H new ATOM 259 N TYR A 16 9.601 -7.823 -2.134 1.00 0.00 N ATOM 260 CA TYR A 16 9.261 -9.156 -1.539 1.00 0.00 C ATOM 261 C TYR A 16 7.769 -9.224 -1.191 1.00 0.00 C ATOM 262 O TYR A 16 7.201 -10.295 -1.085 1.00 0.00 O ATOM 263 CB TYR A 16 10.111 -9.259 -0.270 1.00 0.00 C ATOM 264 CG TYR A 16 9.923 -10.621 0.355 1.00 0.00 C ATOM 265 CD1 TYR A 16 8.797 -10.878 1.148 1.00 0.00 C ATOM 266 CD2 TYR A 16 10.872 -11.628 0.140 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.623 -12.140 1.728 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.698 -12.890 0.721 1.00 0.00 C ATOM 269 CZ TYR A 16 9.572 -13.146 1.514 1.00 0.00 C ATOM 270 OH TYR A 16 9.400 -14.391 2.085 1.00 0.00 O ATOM 0 H TYR A 16 10.306 -7.290 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 16 9.462 -9.973 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.162 -9.100 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.824 -8.480 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.063 -10.103 1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.738 -11.431 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.756 -12.337 2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.432 -13.666 0.558 1.00 0.00 H new ATOM 0 HH TYR A 16 10.149 -14.972 1.835 1.00 0.00 H new ATOM 280 N TRP A 17 7.141 -8.093 -0.984 1.00 0.00 N ATOM 281 CA TRP A 17 5.695 -8.092 -0.607 1.00 0.00 C ATOM 282 C TRP A 17 4.821 -7.907 -1.851 1.00 0.00 C ATOM 283 O TRP A 17 3.785 -7.270 -1.800 1.00 0.00 O ATOM 284 CB TRP A 17 5.531 -6.902 0.340 1.00 0.00 C ATOM 285 CG TRP A 17 6.354 -7.122 1.570 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.354 -8.252 2.314 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.292 -6.209 2.211 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.233 -8.091 3.370 1.00 0.00 N ATOM 289 CE2 TRP A 17 7.835 -6.848 3.350 1.00 0.00 C ATOM 290 CE3 TRP A 17 7.719 -4.902 1.917 1.00 0.00 C ATOM 291 CZ2 TRP A 17 8.770 -6.213 4.169 1.00 0.00 C ATOM 292 CZ3 TRP A 17 8.660 -4.258 2.739 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.184 -4.913 3.861 1.00 0.00 C ATOM 0 H TRP A 17 7.568 -7.170 -1.060 1.00 0.00 H new ATOM 0 HA TRP A 17 5.392 -9.030 -0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.841 -5.983 -0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.482 -6.780 0.609 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.764 -9.135 2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.414 -8.803 4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.321 -4.389 1.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.171 -6.721 5.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.980 -3.254 2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.908 -4.414 4.488 1.00 0.00 H new ATOM 304 N PHE A 18 5.198 -8.512 -2.950 1.00 0.00 N ATOM 305 CA PHE A 18 4.353 -8.433 -4.181 1.00 0.00 C ATOM 306 C PHE A 18 3.049 -9.208 -3.978 1.00 0.00 C ATOM 307 O PHE A 18 2.997 -10.168 -3.232 1.00 0.00 O ATOM 308 CB PHE A 18 5.191 -9.074 -5.289 1.00 0.00 C ATOM 309 CG PHE A 18 4.482 -8.916 -6.612 1.00 0.00 C ATOM 310 CD1 PHE A 18 4.117 -7.640 -7.063 1.00 0.00 C ATOM 311 CD2 PHE A 18 4.187 -10.042 -7.390 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.459 -7.493 -8.290 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.528 -9.894 -8.616 1.00 0.00 C ATOM 314 CZ PHE A 18 3.165 -8.619 -9.066 1.00 0.00 C ATOM 0 H PHE A 18 6.055 -9.057 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 18 4.079 -7.406 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.174 -8.606 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.351 -10.131 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.343 -6.770 -6.464 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.468 -11.026 -7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.178 -6.510 -8.638 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.300 -10.763 -9.215 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.658 -8.505 -10.013 1.00 0.00 H new ATOM 324 N GLN A 19 1.992 -8.796 -4.638 1.00 0.00 N ATOM 325 CA GLN A 19 0.672 -9.497 -4.494 1.00 0.00 C ATOM 326 C GLN A 19 0.279 -9.621 -3.016 1.00 0.00 C ATOM 327 O GLN A 19 -0.447 -10.519 -2.632 1.00 0.00 O ATOM 328 CB GLN A 19 0.877 -10.883 -5.113 1.00 0.00 C ATOM 329 CG GLN A 19 -0.401 -11.315 -5.834 1.00 0.00 C ATOM 330 CD GLN A 19 -0.165 -12.655 -6.535 1.00 0.00 C ATOM 331 OE1 GLN A 19 -0.360 -13.702 -5.949 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.250 -12.666 -7.772 1.00 0.00 N ATOM 0 H GLN A 19 1.986 -7.999 -5.275 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.131 -8.947 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.712 -10.860 -5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.131 -11.605 -4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.220 -11.405 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.694 -10.558 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.413 -11.787 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.411 -13.554 -8.248 1.00 0.00 H new ATOM 341 N ASP A 20 0.748 -8.717 -2.193 1.00 0.00 N ATOM 342 CA ASP A 20 0.398 -8.766 -0.741 1.00 0.00 C ATOM 343 C ASP A 20 -0.533 -7.605 -0.382 1.00 0.00 C ATOM 344 O ASP A 20 -0.751 -6.707 -1.175 1.00 0.00 O ATOM 345 CB ASP A 20 1.733 -8.629 -0.008 1.00 0.00 C ATOM 346 CG ASP A 20 1.733 -9.530 1.229 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.980 -9.243 2.146 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.483 -10.491 1.237 1.00 0.00 O ATOM 0 H ASP A 20 1.359 -7.947 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.123 -9.685 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.553 -8.904 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.894 -7.592 0.285 1.00 0.00 H new ATOM 353 N VAL A 21 -1.033 -7.588 0.827 1.00 0.00 N ATOM 354 CA VAL A 21 -1.896 -6.451 1.271 1.00 0.00 C ATOM 355 C VAL A 21 -1.243 -5.730 2.454 1.00 0.00 C ATOM 356 O VAL A 21 -1.279 -6.202 3.576 1.00 0.00 O ATOM 357 CB VAL A 21 -3.222 -7.096 1.692 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.197 -6.013 2.163 1.00 0.00 C ATOM 359 CG2 VAL A 21 -3.833 -7.839 0.500 1.00 0.00 C ATOM 0 H VAL A 21 -0.881 -8.314 1.527 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.041 -5.708 0.487 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.036 -7.797 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.138 -6.475 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.768 -5.482 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.380 -5.310 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.775 -8.297 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.014 -7.136 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.145 -8.614 0.163 1.00 0.00 H new ATOM 369 N GLY A 22 -0.629 -4.601 2.205 1.00 0.00 N ATOM 370 CA GLY A 22 0.052 -3.854 3.305 1.00 0.00 C ATOM 371 C GLY A 22 -0.861 -2.733 3.803 1.00 0.00 C ATOM 372 O GLY A 22 -1.867 -2.424 3.193 1.00 0.00 O ATOM 0 H GLY A 22 -0.570 -4.164 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.293 -4.532 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.994 -3.438 2.947 1.00 0.00 H new ATOM 376 N THR A 23 -0.497 -2.101 4.890 1.00 0.00 N ATOM 377 CA THR A 23 -1.317 -0.970 5.417 1.00 0.00 C ATOM 378 C THR A 23 -0.664 0.368 5.058 1.00 0.00 C ATOM 379 O THR A 23 0.546 0.478 4.996 1.00 0.00 O ATOM 380 CB THR A 23 -1.338 -1.168 6.933 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.609 -2.531 7.226 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.425 -0.286 7.549 1.00 0.00 C ATOM 0 H THR A 23 0.336 -2.321 5.436 1.00 0.00 H new ATOM 0 HA THR A 23 -2.322 -0.956 4.995 1.00 0.00 H new ATOM 0 HB THR A 23 -0.370 -0.892 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.621 -2.661 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.439 -0.428 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.217 0.760 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.395 -0.561 7.134 1.00 0.00 H new ATOM 390 N VAL A 24 -1.457 1.389 4.856 1.00 0.00 N ATOM 391 CA VAL A 24 -0.890 2.735 4.539 1.00 0.00 C ATOM 392 C VAL A 24 -0.383 3.403 5.821 1.00 0.00 C ATOM 393 O VAL A 24 -1.140 3.656 6.739 1.00 0.00 O ATOM 394 CB VAL A 24 -2.053 3.529 3.933 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.583 4.943 3.574 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.550 2.828 2.664 1.00 0.00 C ATOM 0 H VAL A 24 -2.475 1.349 4.897 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.044 2.679 3.854 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.862 3.587 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.413 5.504 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.231 5.449 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.771 4.883 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.377 3.395 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.738 2.767 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.890 1.823 2.913 1.00 0.00 H new ATOM 406 N ALA A 25 0.889 3.709 5.878 1.00 0.00 N ATOM 407 CA ALA A 25 1.450 4.383 7.086 1.00 0.00 C ATOM 408 C ALA A 25 1.299 5.901 6.962 1.00 0.00 C ATOM 409 O ALA A 25 0.888 6.570 7.892 1.00 0.00 O ATOM 410 CB ALA A 25 2.928 3.990 7.108 1.00 0.00 C ATOM 0 H ALA A 25 1.564 3.520 5.137 1.00 0.00 H new ATOM 0 HA ALA A 25 0.936 4.087 8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.413 4.448 7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.015 2.906 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.410 4.336 6.194 1.00 0.00 H new ATOM 416 N SER A 26 1.607 6.444 5.812 1.00 0.00 N ATOM 417 CA SER A 26 1.460 7.916 5.608 1.00 0.00 C ATOM 418 C SER A 26 1.584 8.260 4.120 1.00 0.00 C ATOM 419 O SER A 26 2.124 7.496 3.342 1.00 0.00 O ATOM 420 CB SER A 26 2.606 8.542 6.400 1.00 0.00 C ATOM 421 OG SER A 26 2.166 8.819 7.723 1.00 0.00 O ATOM 0 H SER A 26 1.955 5.929 5.003 1.00 0.00 H new ATOM 0 HA SER A 26 0.488 8.283 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.460 7.865 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.939 9.460 5.916 1.00 0.00 H new ATOM 0 HG SER A 26 1.450 8.196 7.967 1.00 0.00 H new ATOM 427 N VAL A 27 1.121 9.421 3.731 1.00 0.00 N ATOM 428 CA VAL A 27 1.246 9.843 2.303 1.00 0.00 C ATOM 429 C VAL A 27 1.988 11.181 2.219 1.00 0.00 C ATOM 430 O VAL A 27 1.545 12.181 2.751 1.00 0.00 O ATOM 431 CB VAL A 27 -0.196 9.988 1.801 1.00 0.00 C ATOM 432 CG1 VAL A 27 -0.191 10.434 0.336 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.917 8.640 1.913 1.00 0.00 C ATOM 0 H VAL A 27 0.661 10.096 4.342 1.00 0.00 H new ATOM 0 HA VAL A 27 1.809 9.127 1.704 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.712 10.732 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.217 10.536 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.319 11.393 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.329 9.691 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.942 8.745 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.396 7.897 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.927 8.318 2.954 1.00 0.00 H new ATOM 443 N ASP A 28 3.108 11.205 1.542 1.00 0.00 N ATOM 444 CA ASP A 28 3.879 12.477 1.403 1.00 0.00 C ATOM 445 C ASP A 28 4.125 12.789 -0.076 1.00 0.00 C ATOM 446 O ASP A 28 5.175 12.495 -0.614 1.00 0.00 O ATOM 447 CB ASP A 28 5.203 12.218 2.122 1.00 0.00 C ATOM 448 CG ASP A 28 5.749 13.534 2.677 1.00 0.00 C ATOM 449 OD1 ASP A 28 5.860 14.477 1.910 1.00 0.00 O ATOM 450 OD2 ASP A 28 6.047 13.578 3.859 1.00 0.00 O ATOM 0 H ASP A 28 3.522 10.396 1.079 1.00 0.00 H new ATOM 0 HA ASP A 28 3.346 13.330 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.055 11.503 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.922 11.775 1.433 1.00 0.00 H new ATOM 455 N GLN A 29 3.174 13.415 -0.724 1.00 0.00 N ATOM 456 CA GLN A 29 3.359 13.789 -2.158 1.00 0.00 C ATOM 457 C GLN A 29 4.117 15.115 -2.265 1.00 0.00 C ATOM 458 O GLN A 29 3.530 16.159 -2.477 1.00 0.00 O ATOM 459 CB GLN A 29 1.941 13.934 -2.714 1.00 0.00 C ATOM 460 CG GLN A 29 1.955 13.673 -4.222 1.00 0.00 C ATOM 461 CD GLN A 29 0.648 14.173 -4.838 1.00 0.00 C ATOM 462 OE1 GLN A 29 -0.418 13.934 -4.307 1.00 0.00 O ATOM 463 NE2 GLN A 29 0.685 14.862 -5.945 1.00 0.00 N ATOM 0 H GLN A 29 2.277 13.683 -0.320 1.00 0.00 H new ATOM 0 HA GLN A 29 3.939 13.048 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.271 13.231 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.560 14.935 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.803 14.180 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.077 12.607 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.580 15.063 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.181 15.200 -6.365 1.00 0.00 H new ATOM 472 N SER A 30 5.419 15.074 -2.136 1.00 0.00 N ATOM 473 CA SER A 30 6.228 16.324 -2.247 1.00 0.00 C ATOM 474 C SER A 30 7.278 16.179 -3.352 1.00 0.00 C ATOM 475 O SER A 30 7.381 17.010 -4.233 1.00 0.00 O ATOM 476 CB SER A 30 6.902 16.482 -0.884 1.00 0.00 C ATOM 477 OG SER A 30 7.885 17.506 -0.963 1.00 0.00 O ATOM 0 H SER A 30 5.957 14.226 -1.958 1.00 0.00 H new ATOM 0 HA SER A 30 5.617 17.190 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.160 16.731 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.363 15.542 -0.582 1.00 0.00 H new ATOM 0 HG SER A 30 8.318 17.611 -0.090 1.00 0.00 H new ATOM 483 N GLY A 31 8.038 15.113 -3.323 1.00 0.00 N ATOM 484 CA GLY A 31 9.062 14.888 -4.383 1.00 0.00 C ATOM 485 C GLY A 31 9.893 13.650 -4.039 1.00 0.00 C ATOM 486 O GLY A 31 11.108 13.698 -4.007 1.00 0.00 O ATOM 0 H GLY A 31 7.991 14.388 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.576 14.755 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.709 15.761 -4.469 1.00 0.00 H new ATOM 490 N ILE A 32 9.245 12.535 -3.820 1.00 0.00 N ATOM 491 CA ILE A 32 9.992 11.274 -3.522 1.00 0.00 C ATOM 492 C ILE A 32 9.652 10.198 -4.560 1.00 0.00 C ATOM 493 O ILE A 32 8.696 10.322 -5.302 1.00 0.00 O ATOM 494 CB ILE A 32 9.526 10.848 -2.124 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.006 10.647 -2.115 1.00 0.00 C ATOM 496 CG2 ILE A 32 9.898 11.934 -1.112 1.00 0.00 C ATOM 497 CD1 ILE A 32 7.576 10.067 -0.767 1.00 0.00 C ATOM 0 H ILE A 32 8.229 12.442 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 32 11.072 11.418 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 32 10.013 9.910 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.502 11.597 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.713 9.976 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.568 11.633 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.979 12.073 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.413 12.870 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.495 9.924 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.070 9.108 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.856 10.755 0.031 1.00 0.00 H new ATOM 509 N LYS A 33 10.459 9.171 -4.646 1.00 0.00 N ATOM 510 CA LYS A 33 10.223 8.109 -5.674 1.00 0.00 C ATOM 511 C LYS A 33 8.849 7.459 -5.468 1.00 0.00 C ATOM 512 O LYS A 33 8.243 6.963 -6.399 1.00 0.00 O ATOM 513 CB LYS A 33 11.345 7.082 -5.470 1.00 0.00 C ATOM 514 CG LYS A 33 11.297 6.527 -4.042 1.00 0.00 C ATOM 515 CD LYS A 33 12.234 5.323 -3.931 1.00 0.00 C ATOM 516 CE LYS A 33 12.321 4.878 -2.470 1.00 0.00 C ATOM 517 NZ LYS A 33 13.104 3.610 -2.501 1.00 0.00 N ATOM 0 H LYS A 33 11.272 9.021 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 33 10.230 8.515 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.240 6.269 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.313 7.548 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.593 7.298 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.278 6.233 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.867 4.505 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.225 5.584 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.814 5.632 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.330 4.720 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.207 3.242 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.607 2.909 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.045 3.793 -2.904 1.00 0.00 H new ATOM 531 N TYR A 34 8.353 7.466 -4.255 1.00 0.00 N ATOM 532 CA TYR A 34 7.016 6.860 -3.982 1.00 0.00 C ATOM 533 C TYR A 34 6.237 7.720 -2.974 1.00 0.00 C ATOM 534 O TYR A 34 6.438 7.596 -1.783 1.00 0.00 O ATOM 535 CB TYR A 34 7.322 5.482 -3.390 1.00 0.00 C ATOM 536 CG TYR A 34 7.801 4.553 -4.482 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.037 4.378 -5.644 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.010 3.864 -4.331 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.483 3.517 -6.653 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.456 3.001 -5.339 1.00 0.00 C ATOM 541 CZ TYR A 34 8.693 2.828 -6.500 1.00 0.00 C ATOM 542 OH TYR A 34 9.133 1.978 -7.495 1.00 0.00 O ATOM 0 H TYR A 34 8.819 7.867 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 34 6.401 6.792 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.083 5.570 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.430 5.073 -2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.103 4.908 -5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.599 3.998 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.895 3.384 -7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.388 2.469 -5.221 1.00 0.00 H new ATOM 0 HH TYR A 34 9.989 1.581 -7.231 1.00 0.00 H new ATOM 552 N PRO A 35 5.366 8.574 -3.480 1.00 0.00 N ATOM 553 CA PRO A 35 4.558 9.457 -2.589 1.00 0.00 C ATOM 554 C PRO A 35 3.833 8.641 -1.510 1.00 0.00 C ATOM 555 O PRO A 35 3.488 9.154 -0.462 1.00 0.00 O ATOM 556 CB PRO A 35 3.552 10.102 -3.538 1.00 0.00 C ATOM 557 CG PRO A 35 4.200 10.046 -4.883 1.00 0.00 C ATOM 558 CD PRO A 35 5.049 8.805 -4.901 1.00 0.00 C ATOM 0 HA PRO A 35 5.170 10.183 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.604 9.564 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.337 11.130 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.450 10.013 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.808 10.934 -5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.513 7.960 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.952 8.947 -5.494 1.00 0.00 H new ATOM 566 N VAL A 36 3.527 7.400 -1.796 1.00 0.00 N ATOM 567 CA VAL A 36 2.738 6.576 -0.828 1.00 0.00 C ATOM 568 C VAL A 36 3.655 5.572 -0.123 1.00 0.00 C ATOM 569 O VAL A 36 4.538 4.993 -0.728 1.00 0.00 O ATOM 570 CB VAL A 36 1.691 5.850 -1.679 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.809 4.978 -0.781 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.812 6.878 -2.399 1.00 0.00 C ATOM 0 H VAL A 36 3.789 6.922 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 36 2.274 7.182 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 36 2.199 5.223 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.066 4.464 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.428 4.243 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.304 5.606 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.068 6.360 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.309 7.505 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.433 7.501 -3.043 1.00 0.00 H new ATOM 582 N ILE A 37 3.424 5.335 1.144 1.00 0.00 N ATOM 583 CA ILE A 37 4.247 4.335 1.888 1.00 0.00 C ATOM 584 C ILE A 37 3.343 3.244 2.474 1.00 0.00 C ATOM 585 O ILE A 37 2.178 3.471 2.740 1.00 0.00 O ATOM 586 CB ILE A 37 4.931 5.131 3.006 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.798 6.235 2.393 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.818 4.199 3.836 1.00 0.00 C ATOM 589 CD1 ILE A 37 4.980 7.524 2.280 1.00 0.00 C ATOM 0 H ILE A 37 2.699 5.793 1.696 1.00 0.00 H new ATOM 0 HA ILE A 37 4.973 3.836 1.247 1.00 0.00 H new ATOM 0 HB ILE A 37 4.169 5.575 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.680 6.405 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.152 5.929 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.302 4.769 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.207 3.411 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.578 3.753 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.597 8.309 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.112 7.349 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.648 7.832 3.271 1.00 0.00 H new ATOM 601 N VAL A 38 3.876 2.065 2.674 1.00 0.00 N ATOM 602 CA VAL A 38 3.055 0.953 3.242 1.00 0.00 C ATOM 603 C VAL A 38 3.865 0.188 4.294 1.00 0.00 C ATOM 604 O VAL A 38 5.080 0.258 4.324 1.00 0.00 O ATOM 605 CB VAL A 38 2.725 0.048 2.048 1.00 0.00 C ATOM 606 CG1 VAL A 38 1.869 -1.132 2.516 1.00 0.00 C ATOM 607 CG2 VAL A 38 1.948 0.847 0.997 1.00 0.00 C ATOM 0 H VAL A 38 4.846 1.824 2.468 1.00 0.00 H new ATOM 0 HA VAL A 38 2.153 1.314 3.735 1.00 0.00 H new ATOM 0 HB VAL A 38 3.653 -0.324 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.636 -1.773 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.417 -1.706 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.943 -0.759 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.714 0.203 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.022 1.220 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.554 1.687 0.658 1.00 0.00 H new ATOM 617 N ARG A 39 3.202 -0.571 5.128 1.00 0.00 N ATOM 618 CA ARG A 39 3.926 -1.381 6.153 1.00 0.00 C ATOM 619 C ARG A 39 3.647 -2.873 5.941 1.00 0.00 C ATOM 620 O ARG A 39 2.670 -3.247 5.321 1.00 0.00 O ATOM 621 CB ARG A 39 3.365 -0.915 7.496 1.00 0.00 C ATOM 622 CG ARG A 39 4.100 -1.628 8.633 1.00 0.00 C ATOM 623 CD ARG A 39 4.226 -0.684 9.833 1.00 0.00 C ATOM 624 NE ARG A 39 3.071 -1.026 10.719 1.00 0.00 N ATOM 625 CZ ARG A 39 3.075 -0.718 12.002 1.00 0.00 C ATOM 626 NH1 ARG A 39 4.073 -0.061 12.550 1.00 0.00 N ATOM 627 NH2 ARG A 39 2.063 -1.076 12.745 1.00 0.00 N ATOM 0 H ARG A 39 2.186 -0.665 5.143 1.00 0.00 H new ATOM 0 HA ARG A 39 5.006 -1.249 6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.480 0.164 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.297 -1.128 7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.559 -2.529 8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.089 -1.943 8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.175 -0.827 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.188 0.359 9.520 1.00 0.00 H new ATOM 0 HE ARG A 39 2.263 -1.507 10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.870 0.224 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.050 0.164 13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.283 -1.587 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.053 -0.845 13.738 1.00 0.00 H new ATOM 641 N PHE A 40 4.503 -3.723 6.451 1.00 0.00 N ATOM 642 CA PHE A 40 4.299 -5.192 6.280 1.00 0.00 C ATOM 643 C PHE A 40 4.623 -5.927 7.583 1.00 0.00 C ATOM 644 O PHE A 40 5.053 -5.328 8.551 1.00 0.00 O ATOM 645 CB PHE A 40 5.276 -5.602 5.177 1.00 0.00 C ATOM 646 CG PHE A 40 4.912 -4.898 3.891 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.961 -5.458 3.030 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.526 -3.683 3.561 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.624 -4.803 1.839 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.189 -3.029 2.370 1.00 0.00 C ATOM 651 CZ PHE A 40 4.238 -3.589 1.509 1.00 0.00 C ATOM 0 H PHE A 40 5.335 -3.461 6.979 1.00 0.00 H new ATOM 0 HA PHE A 40 3.268 -5.438 6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.295 -5.347 5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.246 -6.682 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.487 -6.395 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.259 -3.251 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.890 -5.235 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.663 -2.092 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.978 -3.085 0.590 1.00 0.00 H new ATOM 661 N GLU A 41 4.446 -7.224 7.602 1.00 0.00 N ATOM 662 CA GLU A 41 4.772 -8.013 8.827 1.00 0.00 C ATOM 663 C GLU A 41 5.860 -9.046 8.518 1.00 0.00 C ATOM 664 O GLU A 41 6.740 -9.290 9.322 1.00 0.00 O ATOM 665 CB GLU A 41 3.465 -8.707 9.209 1.00 0.00 C ATOM 666 CG GLU A 41 2.592 -7.744 10.016 1.00 0.00 C ATOM 667 CD GLU A 41 1.120 -8.129 9.851 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.520 -7.699 8.879 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.618 -8.847 10.700 1.00 0.00 O ATOM 0 H GLU A 41 4.089 -7.771 6.819 1.00 0.00 H new ATOM 0 HA GLU A 41 5.152 -7.386 9.634 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.936 -9.029 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.674 -9.602 9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.872 -7.778 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.751 -6.721 9.677 1.00 0.00 H new ATOM 676 N LYS A 42 5.807 -9.646 7.356 1.00 0.00 N ATOM 677 CA LYS A 42 6.841 -10.657 6.980 1.00 0.00 C ATOM 678 C LYS A 42 8.114 -9.957 6.495 1.00 0.00 C ATOM 679 O LYS A 42 8.079 -9.156 5.578 1.00 0.00 O ATOM 680 CB LYS A 42 6.212 -11.468 5.847 1.00 0.00 C ATOM 681 CG LYS A 42 6.829 -12.868 5.815 1.00 0.00 C ATOM 682 CD LYS A 42 8.227 -12.796 5.201 1.00 0.00 C ATOM 683 CE LYS A 42 8.703 -14.207 4.848 1.00 0.00 C ATOM 684 NZ LYS A 42 10.159 -14.062 4.568 1.00 0.00 N ATOM 0 H LYS A 42 5.090 -9.479 6.650 1.00 0.00 H new ATOM 0 HA LYS A 42 7.126 -11.287 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.134 -11.538 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.374 -10.966 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.884 -13.276 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.199 -13.541 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.212 -12.172 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.920 -12.332 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.526 -14.901 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.171 -14.598 3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.676 -14.856 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.317 -14.062 3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.502 -13.167 4.971 1.00 0.00 H new ATOM 698 N VAL A 43 9.246 -10.323 7.040 1.00 0.00 N ATOM 699 CA VAL A 43 10.539 -9.759 6.543 1.00 0.00 C ATOM 700 C VAL A 43 10.807 -10.233 5.111 1.00 0.00 C ATOM 701 O VAL A 43 9.938 -10.780 4.458 1.00 0.00 O ATOM 702 CB VAL A 43 11.614 -10.288 7.501 1.00 0.00 C ATOM 703 CG1 VAL A 43 11.339 -9.765 8.912 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.599 -11.822 7.517 1.00 0.00 C ATOM 0 H VAL A 43 9.332 -10.988 7.808 1.00 0.00 H new ATOM 0 HA VAL A 43 10.527 -8.669 6.520 1.00 0.00 H new ATOM 0 HB VAL A 43 12.591 -9.944 7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.102 -10.140 9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.361 -8.675 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.358 -10.107 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.366 -12.186 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.622 -12.173 7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.799 -12.198 6.514 1.00 0.00 H new ATOM 714 N ASN A 44 12.018 -10.072 4.640 1.00 0.00 N ATOM 715 CA ASN A 44 12.368 -10.562 3.272 1.00 0.00 C ATOM 716 C ASN A 44 13.883 -10.760 3.151 1.00 0.00 C ATOM 717 O ASN A 44 14.579 -10.890 4.141 1.00 0.00 O ATOM 718 CB ASN A 44 11.878 -9.468 2.315 1.00 0.00 C ATOM 719 CG ASN A 44 12.563 -8.137 2.645 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.728 -7.952 2.355 1.00 0.00 O ATOM 721 ND2 ASN A 44 11.882 -7.197 3.241 1.00 0.00 N ATOM 0 H ASN A 44 12.781 -9.621 5.145 1.00 0.00 H new ATOM 0 HA ASN A 44 11.909 -11.525 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.093 -9.752 1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.796 -9.360 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.328 -6.307 3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.904 -7.352 3.485 1.00 0.00 H new ATOM 728 N TYR A 45 14.383 -10.861 1.945 1.00 0.00 N ATOM 729 CA TYR A 45 15.841 -11.144 1.751 1.00 0.00 C ATOM 730 C TYR A 45 16.687 -10.045 2.401 1.00 0.00 C ATOM 731 O TYR A 45 17.789 -10.286 2.857 1.00 0.00 O ATOM 732 CB TYR A 45 16.053 -11.156 0.236 1.00 0.00 C ATOM 733 CG TYR A 45 15.227 -12.259 -0.381 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.379 -13.579 0.059 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.308 -11.962 -1.395 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.612 -14.601 -0.513 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.542 -12.984 -1.967 1.00 0.00 C ATOM 738 CZ TYR A 45 13.693 -14.303 -1.526 1.00 0.00 C ATOM 739 OH TYR A 45 12.937 -15.311 -2.090 1.00 0.00 O ATOM 0 H TYR A 45 13.845 -10.760 1.084 1.00 0.00 H new ATOM 0 HA TYR A 45 16.138 -12.087 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.769 -10.193 -0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.108 -11.306 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.088 -13.809 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.190 -10.944 -1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.729 -15.619 -0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.834 -12.754 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 45 12.349 -14.933 -2.777 1.00 0.00 H new ATOM 749 N SER A 46 16.159 -8.849 2.485 1.00 0.00 N ATOM 750 CA SER A 46 16.903 -7.739 3.151 1.00 0.00 C ATOM 751 C SER A 46 16.451 -7.598 4.607 1.00 0.00 C ATOM 752 O SER A 46 17.227 -7.239 5.473 1.00 0.00 O ATOM 753 CB SER A 46 16.543 -6.487 2.353 1.00 0.00 C ATOM 754 OG SER A 46 17.208 -6.523 1.098 1.00 0.00 O ATOM 0 H SER A 46 15.242 -8.594 2.119 1.00 0.00 H new ATOM 0 HA SER A 46 17.979 -7.915 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.464 -6.434 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.833 -5.593 2.906 1.00 0.00 H new ATOM 0 HG SER A 46 16.978 -5.722 0.583 1.00 0.00 H new ATOM 760 N GLY A 47 15.211 -7.912 4.885 1.00 0.00 N ATOM 761 CA GLY A 47 14.711 -7.838 6.290 1.00 0.00 C ATOM 762 C GLY A 47 14.200 -6.424 6.577 1.00 0.00 C ATOM 763 O GLY A 47 14.792 -5.687 7.342 1.00 0.00 O ATOM 0 H GLY A 47 14.522 -8.217 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.911 -8.563 6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.510 -8.095 6.985 1.00 0.00 H new ATOM 767 N ILE A 55 13.082 -6.061 6.002 1.00 0.00 N ATOM 768 CA ILE A 55 12.497 -4.713 6.274 1.00 0.00 C ATOM 769 C ILE A 55 11.065 -4.864 6.800 1.00 0.00 C ATOM 770 O ILE A 55 10.461 -5.914 6.683 1.00 0.00 O ATOM 771 CB ILE A 55 12.503 -3.989 4.923 1.00 0.00 C ATOM 772 CG1 ILE A 55 13.942 -3.883 4.400 1.00 0.00 C ATOM 773 CG2 ILE A 55 11.922 -2.582 5.087 1.00 0.00 C ATOM 774 CD1 ILE A 55 13.945 -4.042 2.878 1.00 0.00 C ATOM 0 H ILE A 55 12.548 -6.641 5.355 1.00 0.00 H new ATOM 0 HA ILE A 55 13.060 -4.161 7.027 1.00 0.00 H new ATOM 0 HB ILE A 55 11.897 -4.553 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.371 -2.920 4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.564 -4.652 4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.928 -2.071 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.898 -2.652 5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.525 -2.020 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.967 -3.967 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.533 -5.016 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.337 -3.257 2.429 1.00 0.00 H new ATOM 786 N ASN A 56 10.504 -3.806 7.330 1.00 0.00 N ATOM 787 CA ASN A 56 9.091 -3.864 7.812 1.00 0.00 C ATOM 788 C ASN A 56 8.211 -2.903 7.003 1.00 0.00 C ATOM 789 O ASN A 56 7.056 -3.182 6.739 1.00 0.00 O ATOM 790 CB ASN A 56 9.150 -3.445 9.287 1.00 0.00 C ATOM 791 CG ASN A 56 9.702 -2.019 9.417 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.440 -1.556 8.571 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.368 -1.298 10.453 1.00 0.00 N ATOM 0 H ASN A 56 10.965 -2.904 7.450 1.00 0.00 H new ATOM 0 HA ASN A 56 8.657 -4.857 7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.154 -3.498 9.727 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.781 -4.138 9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.727 -0.348 10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.748 -1.685 11.165 1.00 0.00 H new ATOM 800 N THR A 57 8.747 -1.773 6.618 1.00 0.00 N ATOM 801 CA THR A 57 7.946 -0.785 5.835 1.00 0.00 C ATOM 802 C THR A 57 8.739 -0.305 4.616 1.00 0.00 C ATOM 803 O THR A 57 9.887 0.080 4.726 1.00 0.00 O ATOM 804 CB THR A 57 7.694 0.375 6.801 1.00 0.00 C ATOM 805 OG1 THR A 57 8.924 0.772 7.391 1.00 0.00 O ATOM 806 CG2 THR A 57 6.722 -0.071 7.894 1.00 0.00 C ATOM 0 H THR A 57 9.708 -1.492 6.813 1.00 0.00 H new ATOM 0 HA THR A 57 7.017 -1.213 5.459 1.00 0.00 H new ATOM 0 HB THR A 57 7.263 1.215 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.659 0.592 6.768 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.543 0.756 8.581 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.779 -0.376 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.150 -0.911 8.441 1.00 0.00 H new ATOM 814 N ASN A 58 8.105 -0.252 3.471 1.00 0.00 N ATOM 815 CA ASN A 58 8.785 0.293 2.258 1.00 0.00 C ATOM 816 C ASN A 58 7.978 1.459 1.680 1.00 0.00 C ATOM 817 O ASN A 58 7.024 1.920 2.280 1.00 0.00 O ATOM 818 CB ASN A 58 8.824 -0.875 1.267 1.00 0.00 C ATOM 819 CG ASN A 58 10.226 -1.490 1.248 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.810 -1.786 2.377 1.00 0.00 O flip ATOM 821 ND2 ASN A 58 10.795 -1.701 0.197 1.00 0.00 N flip ATOM 0 H ASN A 58 7.145 -0.563 3.325 1.00 0.00 H new ATOM 0 HA ASN A 58 9.782 0.674 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.090 -1.629 1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.556 -0.527 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.339 -1.470 -0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.730 -2.110 0.196 1.00 0.00 H new ATOM 828 N ASN A 59 8.343 1.923 0.513 1.00 0.00 N ATOM 829 CA ASN A 59 7.588 3.045 -0.123 1.00 0.00 C ATOM 830 C ASN A 59 7.096 2.632 -1.513 1.00 0.00 C ATOM 831 O ASN A 59 7.826 2.040 -2.287 1.00 0.00 O ATOM 832 CB ASN A 59 8.596 4.191 -0.229 1.00 0.00 C ATOM 833 CG ASN A 59 9.053 4.602 1.171 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.673 3.827 1.872 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.771 5.797 1.611 1.00 0.00 N ATOM 0 H ASN A 59 9.133 1.573 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 59 6.707 3.329 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.453 3.881 -0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.143 5.041 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.071 6.081 2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.251 6.448 1.022 1.00 0.00 H new ATOM 842 N PHE A 60 5.848 2.891 -1.811 1.00 0.00 N ATOM 843 CA PHE A 60 5.281 2.464 -3.125 1.00 0.00 C ATOM 844 C PHE A 60 4.577 3.640 -3.808 1.00 0.00 C ATOM 845 O PHE A 60 4.206 4.606 -3.167 1.00 0.00 O ATOM 846 CB PHE A 60 4.274 1.364 -2.785 1.00 0.00 C ATOM 847 CG PHE A 60 4.994 0.195 -2.154 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.396 0.261 -0.815 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.260 -0.953 -2.910 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.062 -0.821 -0.230 1.00 0.00 C ATOM 851 CE2 PHE A 60 5.927 -2.036 -2.324 1.00 0.00 C ATOM 852 CZ PHE A 60 6.328 -1.970 -0.984 1.00 0.00 C ATOM 0 H PHE A 60 5.196 3.381 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 60 6.053 2.114 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.516 1.749 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.755 1.040 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.192 1.148 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.951 -1.003 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.371 -0.770 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.132 -2.922 -2.906 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.842 -2.805 -0.532 1.00 0.00 H new ATOM 862 N ALA A 61 4.332 3.532 -5.089 1.00 0.00 N ATOM 863 CA ALA A 61 3.577 4.603 -5.805 1.00 0.00 C ATOM 864 C ALA A 61 2.072 4.338 -5.718 1.00 0.00 C ATOM 865 O ALA A 61 1.634 3.203 -5.712 1.00 0.00 O ATOM 866 CB ALA A 61 4.053 4.519 -7.256 1.00 0.00 C ATOM 0 H ALA A 61 4.623 2.746 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 61 3.751 5.589 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.543 5.277 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.129 4.689 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.827 3.531 -7.656 1.00 0.00 H new ATOM 872 N GLU A 62 1.282 5.378 -5.627 1.00 0.00 N ATOM 873 CA GLU A 62 -0.200 5.194 -5.512 1.00 0.00 C ATOM 874 C GLU A 62 -0.740 4.438 -6.732 1.00 0.00 C ATOM 875 O GLU A 62 -1.707 3.706 -6.639 1.00 0.00 O ATOM 876 CB GLU A 62 -0.786 6.611 -5.445 1.00 0.00 C ATOM 877 CG GLU A 62 -0.402 7.401 -6.702 1.00 0.00 C ATOM 878 CD GLU A 62 -1.188 8.712 -6.739 1.00 0.00 C ATOM 879 OE1 GLU A 62 -2.405 8.654 -6.655 1.00 0.00 O ATOM 880 OE2 GLU A 62 -0.562 9.752 -6.851 1.00 0.00 O ATOM 0 H GLU A 62 1.598 6.348 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.471 4.608 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.871 6.560 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.417 7.124 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.669 7.606 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.614 6.812 -7.594 1.00 0.00 H new ATOM 887 N ASP A 63 -0.080 4.559 -7.856 1.00 0.00 N ATOM 888 CA ASP A 63 -0.504 3.790 -9.067 1.00 0.00 C ATOM 889 C ASP A 63 -0.196 2.298 -8.892 1.00 0.00 C ATOM 890 O ASP A 63 -0.811 1.454 -9.517 1.00 0.00 O ATOM 891 CB ASP A 63 0.306 4.380 -10.230 1.00 0.00 C ATOM 892 CG ASP A 63 1.806 4.237 -9.952 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.361 5.128 -9.332 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.371 3.239 -10.366 1.00 0.00 O ATOM 0 H ASP A 63 0.735 5.158 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.577 3.869 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.050 3.869 -11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.052 5.431 -10.364 1.00 0.00 H new ATOM 899 N GLU A 64 0.752 1.968 -8.047 1.00 0.00 N ATOM 900 CA GLU A 64 1.102 0.532 -7.830 1.00 0.00 C ATOM 901 C GLU A 64 0.373 -0.016 -6.599 1.00 0.00 C ATOM 902 O GLU A 64 0.817 -0.962 -5.977 1.00 0.00 O ATOM 903 CB GLU A 64 2.614 0.523 -7.602 1.00 0.00 C ATOM 904 CG GLU A 64 3.336 0.539 -8.951 1.00 0.00 C ATOM 905 CD GLU A 64 4.743 1.113 -8.771 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.900 1.999 -7.947 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.640 0.656 -9.461 1.00 0.00 O ATOM 0 H GLU A 64 1.298 2.633 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 64 0.811 -0.093 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.908 1.390 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.901 -0.362 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.393 -0.471 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.776 1.139 -9.668 1.00 0.00 H new ATOM 914 N LEU A 65 -0.767 0.541 -6.275 1.00 0.00 N ATOM 915 CA LEU A 65 -1.557 0.022 -5.118 1.00 0.00 C ATOM 916 C LEU A 65 -3.048 -0.008 -5.466 1.00 0.00 C ATOM 917 O LEU A 65 -3.607 0.974 -5.919 1.00 0.00 O ATOM 918 CB LEU A 65 -1.294 1.010 -3.981 1.00 0.00 C ATOM 919 CG LEU A 65 0.158 0.880 -3.515 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.458 1.959 -2.474 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.371 -0.501 -2.889 1.00 0.00 C ATOM 0 H LEU A 65 -1.185 1.334 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.272 -0.995 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.489 2.028 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.972 0.814 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 65 0.825 1.001 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.492 1.867 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.305 2.944 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.209 1.837 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.405 -0.594 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.296 -0.621 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.156 -1.273 -3.628 1.00 0.00 H new ATOM 933 N VAL A 66 -3.712 -1.097 -5.170 1.00 0.00 N ATOM 934 CA VAL A 66 -5.189 -1.163 -5.383 1.00 0.00 C ATOM 935 C VAL A 66 -5.905 -1.284 -4.033 1.00 0.00 C ATOM 936 O VAL A 66 -5.352 -1.783 -3.071 1.00 0.00 O ATOM 937 CB VAL A 66 -5.418 -2.417 -6.234 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.913 -2.577 -6.523 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.661 -2.284 -7.558 1.00 0.00 C ATOM 0 H VAL A 66 -3.293 -1.945 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.579 -0.271 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.055 -3.290 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.073 -3.469 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.457 -2.673 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.275 -1.702 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.825 -3.176 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.023 -1.409 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.595 -2.172 -7.358 1.00 0.00 H new ATOM 949 N GLU A 67 -7.127 -0.821 -3.957 1.00 0.00 N ATOM 950 CA GLU A 67 -7.883 -0.894 -2.670 1.00 0.00 C ATOM 951 C GLU A 67 -8.503 -2.285 -2.499 1.00 0.00 C ATOM 952 O GLU A 67 -9.276 -2.733 -3.324 1.00 0.00 O ATOM 953 CB GLU A 67 -8.976 0.169 -2.789 1.00 0.00 C ATOM 954 CG GLU A 67 -9.244 0.782 -1.414 1.00 0.00 C ATOM 955 CD GLU A 67 -10.706 1.222 -1.327 1.00 0.00 C ATOM 956 OE1 GLU A 67 -11.189 1.800 -2.288 1.00 0.00 O ATOM 957 OE2 GLU A 67 -11.321 0.974 -0.302 1.00 0.00 O ATOM 0 H GLU A 67 -7.635 -0.395 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.242 -0.723 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.669 0.944 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.889 -0.276 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.025 0.056 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.586 1.635 -1.250 1.00 0.00 H new ATOM 964 N VAL A 68 -8.200 -2.947 -1.412 1.00 0.00 N ATOM 965 CA VAL A 68 -8.805 -4.289 -1.152 1.00 0.00 C ATOM 966 C VAL A 68 -9.151 -4.438 0.333 1.00 0.00 C ATOM 967 O VAL A 68 -8.822 -5.428 0.959 1.00 0.00 O ATOM 968 CB VAL A 68 -7.730 -5.304 -1.565 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.425 -5.143 -3.055 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.449 -5.069 -0.757 1.00 0.00 C ATOM 0 H VAL A 68 -7.558 -2.616 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.732 -4.436 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.097 -6.312 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.662 -5.863 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.332 -5.318 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.063 -4.132 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.692 -5.794 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.080 -4.060 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.662 -5.186 0.306 1.00 0.00 H new ATOM 980 N GLU A 69 -9.828 -3.468 0.891 1.00 0.00 N ATOM 981 CA GLU A 69 -10.222 -3.552 2.330 1.00 0.00 C ATOM 982 C GLU A 69 -11.732 -3.773 2.454 1.00 0.00 C ATOM 983 O GLU A 69 -12.201 -4.390 3.392 1.00 0.00 O ATOM 984 CB GLU A 69 -9.827 -2.201 2.928 1.00 0.00 C ATOM 985 CG GLU A 69 -9.916 -2.273 4.454 1.00 0.00 C ATOM 986 CD GLU A 69 -10.302 -0.899 5.008 1.00 0.00 C ATOM 987 OE1 GLU A 69 -9.405 -0.119 5.278 1.00 0.00 O ATOM 988 OE2 GLU A 69 -11.489 -0.653 5.152 1.00 0.00 O ATOM 0 H GLU A 69 -10.126 -2.619 0.411 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.737 -4.383 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.814 -1.939 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.485 -1.418 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.655 -3.017 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.960 -2.589 4.870 1.00 0.00 H new ATOM 995 N ALA A 70 -12.489 -3.296 1.500 1.00 0.00 N ATOM 996 CA ALA A 70 -13.971 -3.498 1.542 1.00 0.00 C ATOM 997 C ALA A 70 -14.304 -4.997 1.483 1.00 0.00 C ATOM 998 O ALA A 70 -13.422 -5.811 1.291 1.00 0.00 O ATOM 999 CB ALA A 70 -14.513 -2.782 0.301 1.00 0.00 C ATOM 0 H ALA A 70 -12.146 -2.775 0.693 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.411 -3.107 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.597 -2.888 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.253 -1.725 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.075 -3.224 -0.594 1.00 0.00 H new ATOM 1005 N PRO A 71 -15.571 -5.326 1.651 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.002 -6.753 1.614 1.00 0.00 C ATOM 1007 C PRO A 71 -15.513 -7.440 0.331 1.00 0.00 C ATOM 1008 O PRO A 71 -14.912 -6.819 -0.525 1.00 0.00 O ATOM 1009 CB PRO A 71 -17.526 -6.670 1.629 1.00 0.00 C ATOM 1010 CG PRO A 71 -17.833 -5.355 2.266 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.711 -4.424 1.894 1.00 0.00 C ATOM 0 HA PRO A 71 -15.598 -7.336 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.935 -6.725 0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.961 -7.494 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -18.790 -4.968 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.909 -5.457 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.954 -3.839 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.497 -3.716 2.694 1.00 0.00 H new ATOM 1019 N LYS A 72 -15.793 -8.711 0.186 1.00 0.00 N ATOM 1020 CA LYS A 72 -15.377 -9.440 -1.049 1.00 0.00 C ATOM 1021 C LYS A 72 -16.562 -10.216 -1.631 1.00 0.00 C ATOM 1022 O LYS A 72 -16.435 -11.365 -2.007 1.00 0.00 O ATOM 1023 CB LYS A 72 -14.279 -10.400 -0.591 1.00 0.00 C ATOM 1024 CG LYS A 72 -13.334 -10.691 -1.759 1.00 0.00 C ATOM 1025 CD LYS A 72 -12.826 -12.132 -1.661 1.00 0.00 C ATOM 1026 CE LYS A 72 -13.698 -13.043 -2.529 1.00 0.00 C ATOM 1027 NZ LYS A 72 -14.684 -13.644 -1.587 1.00 0.00 N ATOM 0 H LYS A 72 -16.293 -9.276 0.872 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.028 -8.764 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.724 -9.964 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.721 -11.328 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.853 -10.541 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.494 -9.997 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.788 -12.186 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.851 -12.468 -0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.198 -12.478 -3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.100 -13.812 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.046 -14.534 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.221 -13.835 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.474 -12.983 -1.443 1.00 0.00 H new ATOM 1041 N ALA A 73 -17.706 -9.586 -1.722 1.00 0.00 N ATOM 1042 CA ALA A 73 -18.900 -10.272 -2.299 1.00 0.00 C ATOM 1043 C ALA A 73 -18.928 -10.097 -3.820 1.00 0.00 C ATOM 1044 O ALA A 73 -18.247 -9.249 -4.367 1.00 0.00 O ATOM 1045 CB ALA A 73 -20.103 -9.580 -1.658 1.00 0.00 C ATOM 0 H ALA A 73 -17.864 -8.624 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 73 -18.894 -11.344 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -21.023 -10.029 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -20.056 -9.698 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -20.089 -8.519 -1.909 1.00 0.00 H new ATOM 1051 N LYS A 74 -19.731 -10.874 -4.500 1.00 0.00 N ATOM 1052 CA LYS A 74 -19.835 -10.740 -5.984 1.00 0.00 C ATOM 1053 C LYS A 74 -21.156 -10.051 -6.364 1.00 0.00 C ATOM 1054 O LYS A 74 -22.140 -10.190 -5.664 1.00 0.00 O ATOM 1055 CB LYS A 74 -19.806 -12.173 -6.515 1.00 0.00 C ATOM 1056 CG LYS A 74 -19.126 -12.198 -7.885 1.00 0.00 C ATOM 1057 CD LYS A 74 -18.477 -13.565 -8.108 1.00 0.00 C ATOM 1058 CE LYS A 74 -18.250 -13.785 -9.606 1.00 0.00 C ATOM 1059 NZ LYS A 74 -18.465 -15.244 -9.816 1.00 0.00 N ATOM 0 H LYS A 74 -20.321 -11.598 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 74 -19.030 -10.135 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.270 -12.819 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.821 -12.563 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.856 -11.998 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.373 -11.412 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.529 -13.620 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.115 -14.352 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.945 -13.193 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.244 -13.487 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.327 -15.474 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.785 -15.781 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.433 -15.497 -9.533 1.00 0.00 H new ATOM 1073 N PRO A 75 -21.144 -9.325 -7.466 1.00 0.00 N ATOM 1074 CA PRO A 75 -22.372 -8.615 -7.925 1.00 0.00 C ATOM 1075 C PRO A 75 -23.562 -9.580 -8.021 1.00 0.00 C ATOM 1076 O PRO A 75 -23.399 -10.753 -8.296 1.00 0.00 O ATOM 1077 CB PRO A 75 -21.992 -8.095 -9.310 1.00 0.00 C ATOM 1078 CG PRO A 75 -20.502 -7.995 -9.287 1.00 0.00 C ATOM 1079 CD PRO A 75 -20.010 -9.089 -8.378 1.00 0.00 C ATOM 0 HA PRO A 75 -22.680 -7.824 -7.241 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -22.330 -8.773 -10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -22.450 -7.126 -9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -20.091 -8.111 -10.290 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -20.185 -7.018 -8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.753 -9.988 -8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -19.116 -8.785 -7.834 1.00 0.00 H new ATOM 1087 N LYS A 76 -24.760 -9.084 -7.818 1.00 0.00 N ATOM 1088 CA LYS A 76 -25.980 -9.953 -7.917 1.00 0.00 C ATOM 1089 C LYS A 76 -25.836 -11.197 -7.030 1.00 0.00 C ATOM 1090 O LYS A 76 -25.320 -12.214 -7.455 1.00 0.00 O ATOM 1091 CB LYS A 76 -26.077 -10.354 -9.392 1.00 0.00 C ATOM 1092 CG LYS A 76 -27.549 -10.497 -9.787 1.00 0.00 C ATOM 1093 CD LYS A 76 -27.694 -10.298 -11.298 1.00 0.00 C ATOM 1094 CE LYS A 76 -28.862 -11.139 -11.814 1.00 0.00 C ATOM 1095 NZ LYS A 76 -28.862 -10.932 -13.289 1.00 0.00 N ATOM 0 H LYS A 76 -24.947 -8.108 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 76 -26.874 -9.430 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -25.593 -9.603 -10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -25.552 -11.294 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -27.919 -11.482 -9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -28.153 -9.763 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -27.864 -9.245 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -26.773 -10.587 -11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -28.732 -12.192 -11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -29.805 -10.820 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -29.637 -11.478 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -28.994 -9.922 -13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -27.955 -11.251 -13.684 1.00 0.00 H new ATOM 1109 N LYS A 77 -26.313 -11.127 -5.814 1.00 0.00 N ATOM 1110 CA LYS A 77 -26.236 -12.308 -4.902 1.00 0.00 C ATOM 1111 C LYS A 77 -27.188 -12.126 -3.718 1.00 0.00 C ATOM 1112 O LYS A 77 -28.077 -11.296 -3.820 1.00 0.00 O ATOM 1113 CB LYS A 77 -24.784 -12.342 -4.424 1.00 0.00 C ATOM 1114 CG LYS A 77 -24.400 -13.777 -4.059 1.00 0.00 C ATOM 1115 CD LYS A 77 -22.897 -13.973 -4.266 1.00 0.00 C ATOM 1116 CE LYS A 77 -22.583 -15.468 -4.357 1.00 0.00 C ATOM 1117 NZ LYS A 77 -21.107 -15.540 -4.542 1.00 0.00 N ATOM 1118 OXT LYS A 77 -27.013 -12.820 -2.730 1.00 0.00 O ATOM 0 H LYS A 77 -26.754 -10.300 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 77 -26.524 -13.234 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -24.124 -11.965 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -24.659 -11.690 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -24.665 -13.983 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -24.958 -14.482 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.576 -13.467 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -22.344 -13.524 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.894 -15.992 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.109 -15.932 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.814 -16.535 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.841 -15.038 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.633 -15.097 -3.729 1.00 0.00 H new TER 1132 LYS A 77