USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 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 46 GLN : amide:sc= -4.17! C(o=-4!,f=-9.3!) USER MOD Set 1.2: A 55 THR OG1 : rot 135:sc= 0.192 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.814! X(o=-0.81!,f=-0.4) USER MOD Single : A 7 GLN : amide:sc= -3.58! C(o=-3.6!,f=-1.5!) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.145) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -179:sc= 0 (180deg=-0.00115) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -108:sc= -0.448! USER MOD Single : A 25 HIS : no HD1:sc= -6.07! C(o=-6.1!,f=-8.1!) USER MOD Single : A 33 MET CE :methyl -178:sc= -2.46! (180deg=-2.49!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -53:sc= 0.621! USER MOD Single : A 41 THR OG1 : rot 33:sc= 0.724 USER MOD Single : A 43 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.83!) USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.927) USER MOD Single : A 45 TYR OH : rot 15:sc= -8.91! USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 53 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.052) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0423 USER MOD Single : A 69 SER OG : rot 93:sc= 0.801 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.43! K(o=-2.4!,f=-0.016) USER MOD Single : A 78 LYS NZ :NH3+ 139:sc= 1.22 (180deg=0.141) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -10.6! C(o=-11!,f=-7.4!) USER MOD Single : A 92 ASN : amide:sc= -2.13! C(o=-2.1!,f=-8.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.526 20.107 26.898 1.00 0.00 N ATOM 2 CA MET A 1 -6.398 19.889 25.756 1.00 0.00 C ATOM 3 C MET A 1 -5.594 19.474 24.524 1.00 0.00 C ATOM 4 O MET A 1 -4.752 20.232 24.043 1.00 0.00 O ATOM 5 CB MET A 1 -7.173 21.174 25.452 1.00 0.00 C ATOM 6 CG MET A 1 -8.424 20.877 24.624 1.00 0.00 C ATOM 7 SD MET A 1 -9.821 21.765 25.288 1.00 0.00 S ATOM 8 CE MET A 1 -11.101 20.539 25.071 1.00 0.00 C ATOM 0 H1 MET A 1 -6.096 20.388 27.721 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.013 19.229 27.115 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.845 20.860 26.676 1.00 0.00 H new ATOM 0 HA MET A 1 -7.092 19.085 26.001 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.457 21.661 26.385 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.532 21.870 24.912 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.260 21.165 23.586 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.628 19.806 24.629 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.049 20.934 25.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.195 20.294 24.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.842 19.640 25.630 1.00 0.00 H new ATOM 18 N SER A 2 -5.880 18.272 24.046 1.00 0.00 N ATOM 19 CA SER A 2 -5.193 17.747 22.878 1.00 0.00 C ATOM 20 C SER A 2 -5.811 16.411 22.465 1.00 0.00 C ATOM 21 O SER A 2 -6.443 15.736 23.277 1.00 0.00 O ATOM 22 CB SER A 2 -3.696 17.577 23.149 1.00 0.00 C ATOM 23 OG SER A 2 -3.450 16.784 24.307 1.00 0.00 O ATOM 0 H SER A 2 -6.579 17.646 24.447 1.00 0.00 H new ATOM 0 HA SER A 2 -5.309 18.462 22.063 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.221 17.113 22.284 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.237 18.557 23.277 1.00 0.00 H new ATOM 0 HG SER A 2 -2.484 16.698 24.445 1.00 0.00 H new ATOM 29 N ARG A 3 -5.610 16.067 21.200 1.00 0.00 N ATOM 30 CA ARG A 3 -6.139 14.824 20.669 1.00 0.00 C ATOM 31 C ARG A 3 -5.223 13.656 21.037 1.00 0.00 C ATOM 32 O ARG A 3 -4.072 13.861 21.415 1.00 0.00 O ATOM 33 CB ARG A 3 -6.281 14.892 19.146 1.00 0.00 C ATOM 34 CG ARG A 3 -4.910 14.893 18.466 1.00 0.00 C ATOM 35 CD ARG A 3 -5.047 15.082 16.955 1.00 0.00 C ATOM 36 NE ARG A 3 -3.836 15.738 16.417 1.00 0.00 N ATOM 37 CZ ARG A 3 -3.489 17.006 16.674 1.00 0.00 C ATOM 38 NH1 ARG A 3 -4.259 17.764 17.466 1.00 0.00 N ATOM 39 NH2 ARG A 3 -2.371 17.518 16.142 1.00 0.00 N ATOM 0 H ARG A 3 -5.087 16.629 20.528 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.124 14.669 21.108 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.865 14.042 18.793 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.829 15.792 18.868 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.295 15.691 18.881 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.397 13.954 18.673 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.193 14.116 16.471 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.927 15.686 16.734 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.226 15.190 15.811 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.110 17.376 17.873 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.995 18.730 17.662 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.782 16.942 15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.108 18.484 16.339 1.00 0.00 H new ATOM 53 N SER A 4 -5.770 12.454 20.914 1.00 0.00 N ATOM 54 CA SER A 4 -5.016 11.253 21.229 1.00 0.00 C ATOM 55 C SER A 4 -4.553 10.574 19.940 1.00 0.00 C ATOM 56 O SER A 4 -5.180 10.725 18.893 1.00 0.00 O ATOM 57 CB SER A 4 -5.849 10.285 22.070 1.00 0.00 C ATOM 58 OG SER A 4 -6.707 9.481 21.265 1.00 0.00 O ATOM 0 H SER A 4 -6.726 12.287 20.601 1.00 0.00 H new ATOM 0 HA SER A 4 -4.143 11.540 21.814 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.185 9.641 22.646 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.447 10.849 22.786 1.00 0.00 H new ATOM 0 HG SER A 4 -7.221 8.875 21.839 1.00 0.00 H new ATOM 64 N ASN A 5 -3.459 9.836 20.057 1.00 0.00 N ATOM 65 CA ASN A 5 -2.904 9.132 18.914 1.00 0.00 C ATOM 66 C ASN A 5 -3.791 7.929 18.582 1.00 0.00 C ATOM 67 O ASN A 5 -4.433 7.365 19.466 1.00 0.00 O ATOM 68 CB ASN A 5 -1.497 8.611 19.217 1.00 0.00 C ATOM 69 CG ASN A 5 -1.546 7.428 20.185 1.00 0.00 C ATOM 70 OD1 ASN A 5 -1.389 7.570 21.386 1.00 0.00 O ATOM 71 ND2 ASN A 5 -1.773 6.257 19.596 1.00 0.00 N ATOM 0 H ASN A 5 -2.942 9.710 20.927 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.858 9.830 18.078 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.011 8.307 18.290 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.894 9.411 19.646 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.825 5.406 20.156 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.895 6.210 18.584 1.00 0.00 H new ATOM 78 N ARG A 6 -3.797 7.575 17.305 1.00 0.00 N ATOM 79 CA ARG A 6 -4.595 6.450 16.845 1.00 0.00 C ATOM 80 C ARG A 6 -3.717 5.206 16.691 1.00 0.00 C ATOM 81 O ARG A 6 -2.516 5.254 16.944 1.00 0.00 O ATOM 82 CB ARG A 6 -5.266 6.762 15.507 1.00 0.00 C ATOM 83 CG ARG A 6 -4.245 6.773 14.369 1.00 0.00 C ATOM 84 CD ARG A 6 -4.495 7.943 13.417 1.00 0.00 C ATOM 85 NE ARG A 6 -3.827 9.163 13.925 1.00 0.00 N ATOM 86 CZ ARG A 6 -3.479 10.203 13.158 1.00 0.00 C ATOM 87 NH1 ARG A 6 -3.733 10.181 11.842 1.00 0.00 N ATOM 88 NH2 ARG A 6 -2.876 11.268 13.705 1.00 0.00 N ATOM 0 H ARG A 6 -3.263 8.046 16.575 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.368 6.264 17.590 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.037 6.019 15.301 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.763 7.730 15.563 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.238 6.843 14.780 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.299 5.834 13.818 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.119 7.700 12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.566 8.120 13.318 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.619 9.214 14.922 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.192 9.371 11.425 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.468 10.974 11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.682 11.286 14.706 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.611 12.060 13.120 1.00 0.00 H new ATOM 102 N GLN A 7 -4.354 4.121 16.274 1.00 0.00 N ATOM 103 CA GLN A 7 -3.647 2.866 16.081 1.00 0.00 C ATOM 104 C GLN A 7 -3.353 2.645 14.597 1.00 0.00 C ATOM 105 O GLN A 7 -2.594 3.400 13.990 1.00 0.00 O ATOM 106 CB GLN A 7 -4.439 1.694 16.664 1.00 0.00 C ATOM 107 CG GLN A 7 -5.901 1.745 16.213 1.00 0.00 C ATOM 108 CD GLN A 7 -6.707 2.717 17.076 1.00 0.00 C ATOM 109 OE1 GLN A 7 -6.861 2.544 18.274 1.00 0.00 O ATOM 110 NE2 GLN A 7 -7.212 3.747 16.402 1.00 0.00 N ATOM 0 H GLN A 7 -5.352 4.085 16.065 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.698 2.921 16.615 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.989 0.753 16.348 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.389 1.721 17.752 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.953 2.052 15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.339 0.749 16.275 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.045 3.832 15.399 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.766 4.452 16.888 1.00 0.00 H new ATOM 119 N LYS A 8 -3.969 1.605 14.053 1.00 0.00 N ATOM 120 CA LYS A 8 -3.782 1.275 12.649 1.00 0.00 C ATOM 121 C LYS A 8 -4.715 2.138 11.798 1.00 0.00 C ATOM 122 O LYS A 8 -4.942 1.845 10.625 1.00 0.00 O ATOM 123 CB LYS A 8 -3.960 -0.228 12.425 1.00 0.00 C ATOM 124 CG LYS A 8 -5.225 -0.739 13.116 1.00 0.00 C ATOM 125 CD LYS A 8 -6.403 0.205 12.872 1.00 0.00 C ATOM 126 CE LYS A 8 -7.724 -0.448 13.283 1.00 0.00 C ATOM 127 NZ LYS A 8 -8.122 -1.479 12.297 1.00 0.00 N ATOM 0 H LYS A 8 -4.597 0.980 14.558 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.763 1.503 12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.016 -0.436 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.091 -0.762 12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.469 -1.734 12.745 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.046 -0.833 14.187 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.258 1.126 13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.441 0.479 11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.621 -0.900 14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.503 0.310 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.116 -1.743 12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.011 -1.100 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.519 -2.319 12.411 1.00 0.00 H new ATOM 141 N GLU A 9 -5.230 3.189 12.421 1.00 0.00 N ATOM 142 CA GLU A 9 -6.133 4.097 11.736 1.00 0.00 C ATOM 143 C GLU A 9 -5.486 4.621 10.452 1.00 0.00 C ATOM 144 O GLU A 9 -4.332 5.046 10.463 1.00 0.00 O ATOM 145 CB GLU A 9 -6.549 5.251 12.650 1.00 0.00 C ATOM 146 CG GLU A 9 -8.067 5.285 12.835 1.00 0.00 C ATOM 147 CD GLU A 9 -8.574 6.725 12.941 1.00 0.00 C ATOM 148 OE1 GLU A 9 -8.289 7.497 12.001 1.00 0.00 O ATOM 149 OE2 GLU A 9 -9.237 7.020 13.960 1.00 0.00 O ATOM 0 H GLU A 9 -5.038 3.431 13.393 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.035 3.547 11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.063 5.144 13.620 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.210 6.196 12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.551 4.786 11.995 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.340 4.732 13.734 1.00 0.00 H new ATOM 156 N TYR A 10 -6.257 4.572 9.376 1.00 0.00 N ATOM 157 CA TYR A 10 -5.773 5.037 8.087 1.00 0.00 C ATOM 158 C TYR A 10 -6.908 5.645 7.261 1.00 0.00 C ATOM 159 O TYR A 10 -8.082 5.424 7.556 1.00 0.00 O ATOM 160 CB TYR A 10 -5.239 3.798 7.365 1.00 0.00 C ATOM 161 CG TYR A 10 -6.175 2.589 7.434 1.00 0.00 C ATOM 162 CD1 TYR A 10 -7.437 2.659 6.878 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.757 1.426 8.049 1.00 0.00 C ATOM 164 CE1 TYR A 10 -8.317 1.522 6.942 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.636 0.288 8.112 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.873 0.392 7.556 1.00 0.00 C ATOM 167 OH TYR A 10 -8.704 -0.683 7.616 1.00 0.00 O ATOM 0 H TYR A 10 -7.213 4.218 9.370 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.011 5.805 8.218 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.060 4.048 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.276 3.525 7.796 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.764 3.568 6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.770 1.370 8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.307 1.565 6.513 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.321 -0.628 8.590 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.299 -0.681 6.837 1.00 0.00 H new ATOM 177 N LYS A 11 -6.520 6.397 6.243 1.00 0.00 N ATOM 178 CA LYS A 11 -7.490 7.039 5.374 1.00 0.00 C ATOM 179 C LYS A 11 -6.896 7.179 3.970 1.00 0.00 C ATOM 180 O LYS A 11 -5.689 7.033 3.785 1.00 0.00 O ATOM 181 CB LYS A 11 -7.958 8.365 5.978 1.00 0.00 C ATOM 182 CG LYS A 11 -9.318 8.206 6.660 1.00 0.00 C ATOM 183 CD LYS A 11 -10.444 8.730 5.766 1.00 0.00 C ATOM 184 CE LYS A 11 -11.039 7.605 4.917 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.788 8.162 3.769 1.00 0.00 N ATOM 0 H LYS A 11 -5.546 6.576 6.000 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.385 6.424 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.223 8.719 6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.025 9.121 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.492 7.155 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.319 8.746 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.224 9.177 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.061 9.517 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.243 6.953 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.702 6.992 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.185 7.385 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.560 8.766 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.146 8.728 3.177 1.00 0.00 H new ATOM 199 N CYS A 12 -7.773 7.457 3.016 1.00 0.00 N ATOM 200 CA CYS A 12 -7.352 7.617 1.635 1.00 0.00 C ATOM 201 C CYS A 12 -6.057 8.432 1.620 1.00 0.00 C ATOM 202 O CYS A 12 -6.032 9.575 2.074 1.00 0.00 O ATOM 203 CB CYS A 12 -8.444 8.267 0.782 1.00 0.00 C ATOM 204 SG CYS A 12 -8.117 7.958 -0.993 1.00 0.00 S ATOM 0 H CYS A 12 -8.774 7.575 3.173 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.171 6.638 1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.419 7.865 1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.476 9.340 0.973 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.050 8.512 -1.709 1.00 0.00 H new ATOM 210 N GLY A 13 -5.011 7.812 1.092 1.00 0.00 N ATOM 211 CA GLY A 13 -3.716 8.465 1.012 1.00 0.00 C ATOM 212 C GLY A 13 -2.705 7.793 1.943 1.00 0.00 C ATOM 213 O GLY A 13 -1.516 8.107 1.905 1.00 0.00 O ATOM 0 H GLY A 13 -5.035 6.864 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.350 8.430 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.818 9.517 1.279 1.00 0.00 H new ATOM 217 N ASP A 14 -3.213 6.879 2.756 1.00 0.00 N ATOM 218 CA ASP A 14 -2.369 6.159 3.695 1.00 0.00 C ATOM 219 C ASP A 14 -1.615 5.054 2.953 1.00 0.00 C ATOM 220 O ASP A 14 -2.230 4.191 2.328 1.00 0.00 O ATOM 221 CB ASP A 14 -3.204 5.506 4.797 1.00 0.00 C ATOM 222 CG ASP A 14 -2.429 4.569 5.726 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.622 5.099 6.522 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.661 3.345 5.622 1.00 0.00 O ATOM 0 H ASP A 14 -4.199 6.620 2.784 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.677 6.873 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.663 6.291 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.015 4.944 4.333 1.00 0.00 H new ATOM 229 N LEU A 15 -0.296 5.114 3.047 1.00 0.00 N ATOM 230 CA LEU A 15 0.547 4.130 2.393 1.00 0.00 C ATOM 231 C LEU A 15 0.996 3.087 3.418 1.00 0.00 C ATOM 232 O LEU A 15 1.277 3.421 4.568 1.00 0.00 O ATOM 233 CB LEU A 15 1.706 4.815 1.667 1.00 0.00 C ATOM 234 CG LEU A 15 1.743 4.641 0.147 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.765 3.160 -0.235 1.00 0.00 C ATOM 236 CD2 LEU A 15 0.585 5.386 -0.518 1.00 0.00 C ATOM 0 H LEU A 15 0.210 5.830 3.567 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.014 3.601 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.669 5.881 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.641 4.436 2.079 1.00 0.00 H new ATOM 0 HG LEU A 15 2.667 5.084 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.791 3.065 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.649 2.687 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.870 2.671 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.635 5.246 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.361 4.995 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.655 6.449 -0.286 1.00 0.00 H new ATOM 248 N VAL A 16 1.048 1.843 2.965 1.00 0.00 N ATOM 249 CA VAL A 16 1.457 0.748 3.828 1.00 0.00 C ATOM 250 C VAL A 16 1.805 -0.470 2.970 1.00 0.00 C ATOM 251 O VAL A 16 1.663 -0.435 1.749 1.00 0.00 O ATOM 252 CB VAL A 16 0.366 0.460 4.861 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.606 1.250 6.149 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.021 0.756 4.289 1.00 0.00 C ATOM 0 H VAL A 16 0.814 1.569 2.011 1.00 0.00 H new ATOM 0 HA VAL A 16 2.353 1.017 4.388 1.00 0.00 H new ATOM 0 HB VAL A 16 0.410 -0.601 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.184 1.026 6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.570 0.970 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.603 2.317 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.779 0.543 5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.080 1.806 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.195 0.130 3.414 1.00 0.00 H new ATOM 264 N PHE A 17 2.253 -1.520 3.645 1.00 0.00 N ATOM 265 CA PHE A 17 2.622 -2.747 2.959 1.00 0.00 C ATOM 266 C PHE A 17 1.444 -3.722 2.908 1.00 0.00 C ATOM 267 O PHE A 17 1.055 -4.286 3.930 1.00 0.00 O ATOM 268 CB PHE A 17 3.759 -3.382 3.760 1.00 0.00 C ATOM 269 CG PHE A 17 5.123 -3.314 3.068 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.368 -4.081 1.972 1.00 0.00 C ATOM 271 CD2 PHE A 17 6.088 -2.484 3.547 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.632 -4.017 1.329 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.351 -2.420 2.904 1.00 0.00 C ATOM 274 CZ PHE A 17 7.597 -3.189 1.809 1.00 0.00 C ATOM 0 H PHE A 17 2.368 -1.546 4.658 1.00 0.00 H new ATOM 0 HA PHE A 17 2.920 -2.525 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.829 -2.885 4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.514 -4.426 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.601 -4.739 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.893 -1.874 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.827 -4.626 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.117 -1.761 3.284 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.559 -3.141 1.321 1.00 0.00 H new ATOM 284 N ALA A 18 0.907 -3.891 1.708 1.00 0.00 N ATOM 285 CA ALA A 18 -0.219 -4.787 1.511 1.00 0.00 C ATOM 286 C ALA A 18 0.245 -6.018 0.730 1.00 0.00 C ATOM 287 O ALA A 18 0.870 -5.890 -0.322 1.00 0.00 O ATOM 288 CB ALA A 18 -1.349 -4.039 0.803 1.00 0.00 C ATOM 0 H ALA A 18 1.232 -3.422 0.862 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.607 -5.132 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.194 -4.712 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.662 -3.191 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.998 -3.680 -0.164 1.00 0.00 H new ATOM 294 N LYS A 19 -0.077 -7.182 1.274 1.00 0.00 N ATOM 295 CA LYS A 19 0.300 -8.434 0.641 1.00 0.00 C ATOM 296 C LYS A 19 -0.944 -9.091 0.038 1.00 0.00 C ATOM 297 O LYS A 19 -2.069 -8.753 0.406 1.00 0.00 O ATOM 298 CB LYS A 19 1.050 -9.330 1.629 1.00 0.00 C ATOM 299 CG LYS A 19 0.157 -10.470 2.123 1.00 0.00 C ATOM 300 CD LYS A 19 0.581 -10.934 3.517 1.00 0.00 C ATOM 301 CE LYS A 19 0.443 -12.451 3.657 1.00 0.00 C ATOM 302 NZ LYS A 19 0.445 -12.842 5.085 1.00 0.00 N ATOM 0 H LYS A 19 -0.595 -7.284 2.147 1.00 0.00 H new ATOM 0 HA LYS A 19 0.994 -8.252 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.939 -9.741 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.391 -8.736 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.881 -10.139 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.210 -11.306 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.614 -10.641 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.031 -10.439 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.481 -12.783 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.263 -12.946 3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.351 -13.875 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.338 -12.542 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.352 -12.384 5.571 1.00 0.00 H new ATOM 316 N MET A 20 -0.701 -10.016 -0.878 1.00 0.00 N ATOM 317 CA MET A 20 -1.787 -10.722 -1.535 1.00 0.00 C ATOM 318 C MET A 20 -1.536 -12.232 -1.541 1.00 0.00 C ATOM 319 O MET A 20 -0.409 -12.677 -1.332 1.00 0.00 O ATOM 320 CB MET A 20 -1.926 -10.221 -2.973 1.00 0.00 C ATOM 321 CG MET A 20 -3.326 -10.507 -3.522 1.00 0.00 C ATOM 322 SD MET A 20 -4.009 -9.030 -4.255 1.00 0.00 S ATOM 323 CE MET A 20 -5.039 -9.759 -5.518 1.00 0.00 C ATOM 0 H MET A 20 0.233 -10.293 -1.181 1.00 0.00 H new ATOM 0 HA MET A 20 -2.707 -10.528 -0.984 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.730 -9.149 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.179 -10.703 -3.603 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.278 -11.303 -4.265 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.975 -10.858 -2.720 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.530 -8.970 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.424 -10.360 -6.187 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.793 -10.393 -5.051 1.00 0.00 H new ATOM 333 N LYS A 21 -2.603 -12.976 -1.786 1.00 0.00 N ATOM 334 CA LYS A 21 -2.512 -14.426 -1.824 1.00 0.00 C ATOM 335 C LYS A 21 -1.496 -14.843 -2.888 1.00 0.00 C ATOM 336 O LYS A 21 -1.676 -14.555 -4.070 1.00 0.00 O ATOM 337 CB LYS A 21 -3.898 -15.045 -2.022 1.00 0.00 C ATOM 338 CG LYS A 21 -3.797 -16.555 -2.247 1.00 0.00 C ATOM 339 CD LYS A 21 -4.627 -17.321 -1.214 1.00 0.00 C ATOM 340 CE LYS A 21 -5.921 -17.849 -1.834 1.00 0.00 C ATOM 341 NZ LYS A 21 -6.959 -18.025 -0.794 1.00 0.00 N ATOM 0 H LYS A 21 -3.536 -12.603 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.150 -14.809 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.518 -14.845 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.390 -14.579 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.143 -16.800 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.754 -16.867 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.044 -18.152 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.862 -16.667 -0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.275 -17.155 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.731 -18.800 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.831 -18.384 -1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.624 -18.704 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.152 -17.111 -0.338 1.00 0.00 H new ATOM 355 N GLY A 22 -0.447 -15.511 -2.430 1.00 0.00 N ATOM 356 CA GLY A 22 0.599 -15.968 -3.329 1.00 0.00 C ATOM 357 C GLY A 22 1.648 -14.877 -3.551 1.00 0.00 C ATOM 358 O GLY A 22 2.744 -15.152 -4.038 1.00 0.00 O ATOM 0 H GLY A 22 -0.299 -15.746 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.076 -16.857 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.161 -16.256 -4.285 1.00 0.00 H new ATOM 362 N TYR A 23 1.276 -13.659 -3.181 1.00 0.00 N ATOM 363 CA TYR A 23 2.170 -12.525 -3.333 1.00 0.00 C ATOM 364 C TYR A 23 2.669 -12.032 -1.972 1.00 0.00 C ATOM 365 O TYR A 23 1.888 -11.907 -1.031 1.00 0.00 O ATOM 366 CB TYR A 23 1.342 -11.420 -3.991 1.00 0.00 C ATOM 367 CG TYR A 23 2.176 -10.382 -4.746 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.245 -10.787 -5.520 1.00 0.00 C ATOM 369 CD2 TYR A 23 1.861 -9.043 -4.653 1.00 0.00 C ATOM 370 CE1 TYR A 23 4.029 -9.811 -6.231 1.00 0.00 C ATOM 371 CE2 TYR A 23 2.645 -8.066 -5.364 1.00 0.00 C ATOM 372 CZ TYR A 23 3.691 -8.498 -6.118 1.00 0.00 C ATOM 373 OH TYR A 23 4.432 -7.578 -6.789 1.00 0.00 O ATOM 0 H TYR A 23 0.367 -13.434 -2.776 1.00 0.00 H new ATOM 0 HA TYR A 23 3.043 -12.802 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.633 -11.875 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.757 -10.913 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.493 -11.836 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.025 -8.726 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.867 -10.115 -6.841 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.408 -7.014 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 23 4.972 -7.065 -6.152 1.00 0.00 H new ATOM 383 N PRO A 24 4.000 -11.759 -1.912 1.00 0.00 N ATOM 384 CA PRO A 24 4.610 -11.282 -0.683 1.00 0.00 C ATOM 385 C PRO A 24 4.261 -9.814 -0.431 1.00 0.00 C ATOM 386 O PRO A 24 3.950 -9.077 -1.364 1.00 0.00 O ATOM 387 CB PRO A 24 6.100 -11.516 -0.868 1.00 0.00 C ATOM 388 CG PRO A 24 6.314 -11.679 -2.364 1.00 0.00 C ATOM 389 CD PRO A 24 4.954 -11.894 -3.008 1.00 0.00 C ATOM 0 HA PRO A 24 4.245 -11.807 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.678 -10.677 -0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.426 -12.405 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.798 -10.795 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.970 -12.526 -2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.765 -11.159 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.887 -12.878 -3.473 1.00 0.00 H new ATOM 397 N HIS A 25 4.324 -9.433 0.837 1.00 0.00 N ATOM 398 CA HIS A 25 4.019 -8.066 1.224 1.00 0.00 C ATOM 399 C HIS A 25 4.620 -7.099 0.204 1.00 0.00 C ATOM 400 O HIS A 25 5.837 -7.042 0.037 1.00 0.00 O ATOM 401 CB HIS A 25 4.490 -7.788 2.653 1.00 0.00 C ATOM 402 CG HIS A 25 3.367 -7.543 3.632 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.232 -6.820 3.307 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.215 -7.933 4.931 1.00 0.00 C ATOM 405 CE1 HIS A 25 1.441 -6.782 4.368 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.052 -7.471 5.374 1.00 0.00 N ATOM 0 H HIS A 25 4.582 -10.047 1.609 1.00 0.00 H new ATOM 0 HA HIS A 25 2.939 -7.916 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.083 -8.634 3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.148 -6.919 2.645 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.921 -8.518 5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.481 -6.292 4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.677 -7.609 6.313 1.00 0.00 H new ATOM 414 N TRP A 26 3.738 -6.358 -0.453 1.00 0.00 N ATOM 415 CA TRP A 26 4.166 -5.395 -1.453 1.00 0.00 C ATOM 416 C TRP A 26 3.665 -4.014 -1.024 1.00 0.00 C ATOM 417 O TRP A 26 2.705 -3.908 -0.263 1.00 0.00 O ATOM 418 CB TRP A 26 3.681 -5.799 -2.847 1.00 0.00 C ATOM 419 CG TRP A 26 4.800 -5.915 -3.885 1.00 0.00 C ATOM 420 CD1 TRP A 26 4.937 -5.232 -5.029 1.00 0.00 C ATOM 421 CD2 TRP A 26 5.940 -6.798 -3.826 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.077 -5.608 -5.710 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.706 -6.591 -4.955 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.311 -7.741 -2.852 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.891 -7.290 -5.216 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.497 -8.430 -3.127 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.281 -8.234 -4.258 1.00 0.00 C ATOM 0 H TRP A 26 2.729 -6.406 -0.312 1.00 0.00 H new ATOM 0 HA TRP A 26 5.254 -5.367 -1.520 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.163 -6.756 -2.777 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.952 -5.066 -3.194 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.242 -4.481 -5.375 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.399 -5.234 -6.603 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.727 -7.920 -1.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.473 -7.111 -6.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.827 -9.167 -2.409 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.186 -8.807 -4.397 1.00 0.00 H new ATOM 438 N PRO A 27 4.357 -2.964 -1.544 1.00 0.00 N ATOM 439 CA PRO A 27 3.992 -1.596 -1.223 1.00 0.00 C ATOM 440 C PRO A 27 2.725 -1.175 -1.970 1.00 0.00 C ATOM 441 O PRO A 27 2.771 -0.893 -3.166 1.00 0.00 O ATOM 442 CB PRO A 27 5.208 -0.766 -1.602 1.00 0.00 C ATOM 443 CG PRO A 27 6.025 -1.630 -2.548 1.00 0.00 C ATOM 444 CD PRO A 27 5.499 -3.054 -2.449 1.00 0.00 C ATOM 0 HA PRO A 27 3.747 -1.463 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.910 0.166 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.788 -0.498 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.941 -1.262 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.081 -1.594 -2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.201 -3.435 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.260 -3.731 -2.061 1.00 0.00 H new ATOM 452 N ALA A 28 1.624 -1.148 -1.232 1.00 0.00 N ATOM 453 CA ALA A 28 0.346 -0.767 -1.811 1.00 0.00 C ATOM 454 C ALA A 28 -0.239 0.404 -1.018 1.00 0.00 C ATOM 455 O ALA A 28 0.028 0.545 0.175 1.00 0.00 O ATOM 456 CB ALA A 28 -0.586 -1.980 -1.833 1.00 0.00 C ATOM 0 H ALA A 28 1.590 -1.383 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 28 0.474 -0.436 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.544 -1.695 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.138 -2.772 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.741 -2.338 -0.815 1.00 0.00 H new ATOM 462 N ARG A 29 -1.025 1.212 -1.713 1.00 0.00 N ATOM 463 CA ARG A 29 -1.649 2.366 -1.088 1.00 0.00 C ATOM 464 C ARG A 29 -3.133 2.091 -0.828 1.00 0.00 C ATOM 465 O ARG A 29 -3.763 1.330 -1.561 1.00 0.00 O ATOM 466 CB ARG A 29 -1.515 3.610 -1.969 1.00 0.00 C ATOM 467 CG ARG A 29 -2.107 3.364 -3.358 1.00 0.00 C ATOM 468 CD ARG A 29 -2.227 4.673 -4.142 1.00 0.00 C ATOM 469 NE ARG A 29 -1.941 4.433 -5.575 1.00 0.00 N ATOM 470 CZ ARG A 29 -2.111 5.349 -6.538 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.567 6.570 -6.228 1.00 0.00 N ATOM 472 NH2 ARG A 29 -1.826 5.042 -7.811 1.00 0.00 N ATOM 0 H ARG A 29 -1.244 1.091 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.138 2.548 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.023 4.451 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.464 3.884 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.478 2.664 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.090 2.902 -3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.230 5.085 -4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.531 5.411 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.593 3.513 -5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.785 6.802 -5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.696 7.267 -6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.480 4.112 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.955 5.739 -8.545 1.00 0.00 H new ATOM 486 N ILE A 30 -3.646 2.726 0.215 1.00 0.00 N ATOM 487 CA ILE A 30 -5.043 2.559 0.580 1.00 0.00 C ATOM 488 C ILE A 30 -5.921 3.287 -0.440 1.00 0.00 C ATOM 489 O ILE A 30 -5.520 4.309 -0.994 1.00 0.00 O ATOM 490 CB ILE A 30 -5.276 3.009 2.024 1.00 0.00 C ATOM 491 CG1 ILE A 30 -6.180 2.022 2.765 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.824 4.436 2.072 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.656 2.374 2.565 1.00 0.00 C ATOM 0 H ILE A 30 -3.120 3.357 0.819 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.323 1.506 0.549 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.316 3.016 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.992 1.010 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.941 2.032 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.981 4.731 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.111 5.115 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.772 4.480 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.277 1.657 3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.846 3.377 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.898 2.339 1.503 1.00 0.00 H new ATOM 505 N ASP A 31 -7.103 2.730 -0.658 1.00 0.00 N ATOM 506 CA ASP A 31 -8.043 3.312 -1.602 1.00 0.00 C ATOM 507 C ASP A 31 -9.447 2.777 -1.313 1.00 0.00 C ATOM 508 O ASP A 31 -9.604 1.638 -0.877 1.00 0.00 O ATOM 509 CB ASP A 31 -7.682 2.938 -3.040 1.00 0.00 C ATOM 510 CG ASP A 31 -6.740 3.917 -3.745 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.523 3.826 -3.476 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.258 4.731 -4.537 1.00 0.00 O ATOM 0 H ASP A 31 -7.432 1.882 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.005 4.396 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.220 1.951 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.601 2.859 -3.621 1.00 0.00 H new ATOM 517 N GLU A 32 -10.433 3.627 -1.566 1.00 0.00 N ATOM 518 CA GLU A 32 -11.818 3.254 -1.337 1.00 0.00 C ATOM 519 C GLU A 32 -12.511 2.948 -2.667 1.00 0.00 C ATOM 520 O GLU A 32 -11.943 3.176 -3.733 1.00 0.00 O ATOM 521 CB GLU A 32 -12.562 4.349 -0.571 1.00 0.00 C ATOM 522 CG GLU A 32 -12.704 5.614 -1.422 1.00 0.00 C ATOM 523 CD GLU A 32 -14.099 6.222 -1.271 1.00 0.00 C ATOM 524 OE1 GLU A 32 -14.987 5.806 -2.047 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.248 7.089 -0.383 1.00 0.00 O ATOM 0 H GLU A 32 -10.299 4.572 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.835 2.353 -0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.549 3.989 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.026 4.583 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.951 6.344 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.519 5.375 -2.469 1.00 0.00 H new ATOM 532 N MET A 33 -13.729 2.437 -2.559 1.00 0.00 N ATOM 533 CA MET A 33 -14.506 2.099 -3.739 1.00 0.00 C ATOM 534 C MET A 33 -15.018 3.358 -4.440 1.00 0.00 C ATOM 535 O MET A 33 -15.556 4.256 -3.794 1.00 0.00 O ATOM 536 CB MET A 33 -15.691 1.220 -3.336 1.00 0.00 C ATOM 537 CG MET A 33 -16.637 1.973 -2.399 1.00 0.00 C ATOM 538 SD MET A 33 -18.030 2.608 -3.317 1.00 0.00 S ATOM 539 CE MET A 33 -18.451 4.018 -2.307 1.00 0.00 C ATOM 0 H MET A 33 -14.197 2.249 -1.672 1.00 0.00 H new ATOM 0 HA MET A 33 -13.861 1.559 -4.432 1.00 0.00 H new ATOM 0 HB2 MET A 33 -16.232 0.902 -4.227 1.00 0.00 H new ATOM 0 HB3 MET A 33 -15.328 0.317 -2.844 1.00 0.00 H new ATOM 0 HG2 MET A 33 -16.985 1.308 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 33 -16.106 2.793 -1.915 1.00 0.00 H new ATOM 0 HE1 MET A 33 -19.330 4.512 -2.721 1.00 0.00 H new ATOM 0 HE2 MET A 33 -18.666 3.687 -1.291 1.00 0.00 H new ATOM 0 HE3 MET A 33 -17.615 4.717 -2.292 1.00 0.00 H new ATOM 549 N PRO A 34 -14.828 3.385 -5.786 1.00 0.00 N ATOM 550 CA PRO A 34 -15.266 4.520 -6.582 1.00 0.00 C ATOM 551 C PRO A 34 -16.784 4.512 -6.760 1.00 0.00 C ATOM 552 O PRO A 34 -17.456 3.563 -6.358 1.00 0.00 O ATOM 553 CB PRO A 34 -14.512 4.395 -7.895 1.00 0.00 C ATOM 554 CG PRO A 34 -14.039 2.952 -7.967 1.00 0.00 C ATOM 555 CD PRO A 34 -14.195 2.340 -6.584 1.00 0.00 C ATOM 0 HA PRO A 34 -15.051 5.476 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.156 4.638 -8.740 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.669 5.085 -7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.624 2.395 -8.699 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.999 2.907 -8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.809 1.440 -6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.230 2.053 -6.167 1.00 0.00 H new ATOM 563 N GLU A 35 -17.284 5.579 -7.364 1.00 0.00 N ATOM 564 CA GLU A 35 -18.711 5.708 -7.602 1.00 0.00 C ATOM 565 C GLU A 35 -18.968 6.553 -8.850 1.00 0.00 C ATOM 566 O GLU A 35 -20.055 7.102 -9.019 1.00 0.00 O ATOM 567 CB GLU A 35 -19.420 6.300 -6.383 1.00 0.00 C ATOM 568 CG GLU A 35 -18.952 7.734 -6.121 1.00 0.00 C ATOM 569 CD GLU A 35 -19.941 8.477 -5.220 1.00 0.00 C ATOM 570 OE1 GLU A 35 -20.982 8.913 -5.757 1.00 0.00 O ATOM 571 OE2 GLU A 35 -19.633 8.592 -4.013 1.00 0.00 O ATOM 0 H GLU A 35 -16.725 6.364 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.121 4.712 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.498 6.289 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.222 5.683 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -17.968 7.719 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -18.847 8.265 -7.067 1.00 0.00 H new ATOM 578 N ALA A 36 -17.949 6.631 -9.693 1.00 0.00 N ATOM 579 CA ALA A 36 -18.051 7.401 -10.920 1.00 0.00 C ATOM 580 C ALA A 36 -18.940 6.651 -11.915 1.00 0.00 C ATOM 581 O ALA A 36 -20.095 7.024 -12.123 1.00 0.00 O ATOM 582 CB ALA A 36 -16.650 7.665 -11.477 1.00 0.00 C ATOM 0 H ALA A 36 -17.049 6.173 -9.550 1.00 0.00 H new ATOM 0 HA ALA A 36 -18.513 8.369 -10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.728 8.243 -12.398 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.067 8.225 -10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.156 6.716 -11.685 1.00 0.00 H new ATOM 588 N ALA A 37 -18.370 5.611 -12.503 1.00 0.00 N ATOM 589 CA ALA A 37 -19.096 4.806 -13.470 1.00 0.00 C ATOM 590 C ALA A 37 -20.326 4.192 -12.796 1.00 0.00 C ATOM 591 O ALA A 37 -21.452 4.396 -13.246 1.00 0.00 O ATOM 592 CB ALA A 37 -18.162 3.746 -14.058 1.00 0.00 C ATOM 0 H ALA A 37 -17.412 5.306 -12.328 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.447 5.424 -14.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.708 3.142 -14.783 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.322 4.235 -14.551 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.790 3.105 -13.259 1.00 0.00 H new ATOM 598 N VAL A 38 -20.067 3.452 -11.728 1.00 0.00 N ATOM 599 CA VAL A 38 -21.138 2.808 -10.986 1.00 0.00 C ATOM 600 C VAL A 38 -20.898 2.991 -9.486 1.00 0.00 C ATOM 601 O VAL A 38 -19.753 3.062 -9.043 1.00 0.00 O ATOM 602 CB VAL A 38 -21.249 1.339 -11.400 1.00 0.00 C ATOM 603 CG1 VAL A 38 -21.493 1.208 -12.904 1.00 0.00 C ATOM 604 CG2 VAL A 38 -20.004 0.556 -10.976 1.00 0.00 C ATOM 0 H VAL A 38 -19.131 3.284 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 38 -22.097 3.272 -11.219 1.00 0.00 H new ATOM 0 HB VAL A 38 -22.108 0.910 -10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -21.568 0.154 -13.170 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -22.421 1.715 -13.168 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -20.664 1.662 -13.448 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -20.107 -0.485 -11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -19.123 0.988 -11.451 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -19.894 0.607 -9.893 1.00 0.00 H new ATOM 614 N LYS A 39 -21.995 3.063 -8.749 1.00 0.00 N ATOM 615 CA LYS A 39 -21.918 3.238 -7.308 1.00 0.00 C ATOM 616 C LYS A 39 -22.157 1.890 -6.622 1.00 0.00 C ATOM 617 O LYS A 39 -23.263 1.614 -6.159 1.00 0.00 O ATOM 618 CB LYS A 39 -22.874 4.340 -6.849 1.00 0.00 C ATOM 619 CG LYS A 39 -24.321 3.993 -7.206 1.00 0.00 C ATOM 620 CD LYS A 39 -24.979 5.129 -7.992 1.00 0.00 C ATOM 621 CE LYS A 39 -24.085 5.587 -9.146 1.00 0.00 C ATOM 622 NZ LYS A 39 -24.835 5.563 -10.423 1.00 0.00 N ATOM 0 H LYS A 39 -22.943 3.003 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 39 -20.922 3.572 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -22.785 4.479 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -22.597 5.285 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.344 3.077 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -24.888 3.800 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -25.941 4.796 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -25.178 5.969 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -23.718 6.595 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.212 4.938 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.214 5.877 -11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -25.164 4.595 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.654 6.200 -10.357 1.00 0.00 H new ATOM 636 N SER A 40 -21.103 1.089 -6.580 1.00 0.00 N ATOM 637 CA SER A 40 -21.185 -0.222 -5.959 1.00 0.00 C ATOM 638 C SER A 40 -20.280 -0.274 -4.725 1.00 0.00 C ATOM 639 O SER A 40 -19.083 -0.530 -4.839 1.00 0.00 O ATOM 640 CB SER A 40 -20.798 -1.325 -6.947 1.00 0.00 C ATOM 641 OG SER A 40 -19.986 -2.325 -6.339 1.00 0.00 O ATOM 0 H SER A 40 -20.188 1.322 -6.966 1.00 0.00 H new ATOM 0 HA SER A 40 -22.217 -0.391 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 40 -21.701 -1.786 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.263 -0.886 -7.789 1.00 0.00 H new ATOM 0 HG SER A 40 -19.218 -1.901 -5.901 1.00 0.00 H new ATOM 647 N THR A 41 -20.890 -0.027 -3.575 1.00 0.00 N ATOM 648 CA THR A 41 -20.154 -0.042 -2.321 1.00 0.00 C ATOM 649 C THR A 41 -19.913 -1.482 -1.862 1.00 0.00 C ATOM 650 O THR A 41 -20.860 -2.240 -1.659 1.00 0.00 O ATOM 651 CB THR A 41 -20.933 0.796 -1.306 1.00 0.00 C ATOM 652 OG1 THR A 41 -22.198 0.145 -1.215 1.00 0.00 O ATOM 653 CG2 THR A 41 -21.269 2.192 -1.834 1.00 0.00 C ATOM 0 H THR A 41 -21.884 0.184 -3.485 1.00 0.00 H new ATOM 0 HA THR A 41 -19.164 0.399 -2.438 1.00 0.00 H new ATOM 0 HB THR A 41 -20.352 0.885 -0.388 1.00 0.00 H new ATOM 0 HG1 THR A 41 -22.079 -0.820 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 41 -21.822 2.745 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 41 -20.347 2.723 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.878 2.104 -2.734 1.00 0.00 H new ATOM 661 N ALA A 42 -18.640 -1.817 -1.712 1.00 0.00 N ATOM 662 CA ALA A 42 -18.262 -3.151 -1.282 1.00 0.00 C ATOM 663 C ALA A 42 -17.825 -3.105 0.184 1.00 0.00 C ATOM 664 O ALA A 42 -17.334 -2.083 0.657 1.00 0.00 O ATOM 665 CB ALA A 42 -17.163 -3.692 -2.199 1.00 0.00 C ATOM 0 H ALA A 42 -17.857 -1.186 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.111 -3.831 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.880 -4.694 -1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.532 -3.732 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -16.294 -3.036 -2.152 1.00 0.00 H new ATOM 671 N ASN A 43 -18.024 -4.227 0.862 1.00 0.00 N ATOM 672 CA ASN A 43 -17.656 -4.327 2.264 1.00 0.00 C ATOM 673 C ASN A 43 -16.191 -4.748 2.375 1.00 0.00 C ATOM 674 O ASN A 43 -15.871 -5.729 3.045 1.00 0.00 O ATOM 675 CB ASN A 43 -18.506 -5.378 2.982 1.00 0.00 C ATOM 676 CG ASN A 43 -18.343 -6.753 2.328 1.00 0.00 C ATOM 677 OD1 ASN A 43 -17.489 -7.545 2.690 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.211 -6.991 1.347 1.00 0.00 N ATOM 0 H ASN A 43 -18.435 -5.073 0.467 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.819 -3.353 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -18.214 -5.433 4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.555 -5.082 2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.186 -7.881 0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.901 -6.284 1.094 1.00 0.00 H new ATOM 685 N LYS A 44 -15.337 -3.983 1.708 1.00 0.00 N ATOM 686 CA LYS A 44 -13.912 -4.265 1.723 1.00 0.00 C ATOM 687 C LYS A 44 -13.137 -2.969 1.473 1.00 0.00 C ATOM 688 O LYS A 44 -13.736 -1.915 1.266 1.00 0.00 O ATOM 689 CB LYS A 44 -13.576 -5.383 0.734 1.00 0.00 C ATOM 690 CG LYS A 44 -14.190 -5.102 -0.640 1.00 0.00 C ATOM 691 CD LYS A 44 -13.261 -4.230 -1.487 1.00 0.00 C ATOM 692 CE LYS A 44 -14.034 -3.539 -2.613 1.00 0.00 C ATOM 693 NZ LYS A 44 -13.165 -3.345 -3.795 1.00 0.00 N ATOM 0 H LYS A 44 -15.605 -3.169 1.155 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.608 -4.635 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.494 -5.478 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.948 -6.334 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.382 -6.043 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.152 -4.603 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.784 -3.481 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.466 -4.844 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.902 -4.138 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.408 -2.575 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.412 -2.450 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.170 -3.315 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.301 -4.133 -4.459 1.00 0.00 H new ATOM 707 N TYR A 45 -11.819 -3.091 1.500 1.00 0.00 N ATOM 708 CA TYR A 45 -10.957 -1.942 1.279 1.00 0.00 C ATOM 709 C TYR A 45 -10.238 -2.047 -0.067 1.00 0.00 C ATOM 710 O TYR A 45 -9.590 -3.053 -0.353 1.00 0.00 O ATOM 711 CB TYR A 45 -9.919 -1.971 2.403 1.00 0.00 C ATOM 712 CG TYR A 45 -8.475 -1.810 1.921 1.00 0.00 C ATOM 713 CD1 TYR A 45 -8.141 -0.769 1.078 1.00 0.00 C ATOM 714 CD2 TYR A 45 -7.509 -2.708 2.326 1.00 0.00 C ATOM 715 CE1 TYR A 45 -6.783 -0.618 0.624 1.00 0.00 C ATOM 716 CE2 TYR A 45 -6.150 -2.556 1.872 1.00 0.00 C ATOM 717 CZ TYR A 45 -5.855 -1.519 1.043 1.00 0.00 C ATOM 718 OH TYR A 45 -4.572 -1.376 0.615 1.00 0.00 O ATOM 0 H TYR A 45 -11.326 -3.967 1.671 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.539 -1.021 1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.145 -1.175 3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.008 -2.914 2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.898 -0.068 0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.771 -3.524 2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.508 0.193 -0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.383 -3.250 2.183 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.452 -0.481 0.235 1.00 0.00 H new ATOM 728 N GLN A 46 -10.376 -0.994 -0.859 1.00 0.00 N ATOM 729 CA GLN A 46 -9.747 -0.956 -2.168 1.00 0.00 C ATOM 730 C GLN A 46 -8.239 -0.741 -2.027 1.00 0.00 C ATOM 731 O GLN A 46 -7.793 0.352 -1.680 1.00 0.00 O ATOM 732 CB GLN A 46 -10.374 0.130 -3.047 1.00 0.00 C ATOM 733 CG GLN A 46 -10.956 -0.470 -4.328 1.00 0.00 C ATOM 734 CD GLN A 46 -10.006 -0.264 -5.509 1.00 0.00 C ATOM 735 OE1 GLN A 46 -9.683 -1.183 -6.246 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.580 0.987 -5.649 1.00 0.00 N ATOM 0 H GLN A 46 -10.914 -0.161 -0.620 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.914 -1.916 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.159 0.643 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.622 0.877 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.139 -1.535 -4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.919 -0.008 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.890 1.707 -4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.943 1.227 -6.409 1.00 0.00 H new ATOM 745 N VAL A 47 -7.495 -1.802 -2.304 1.00 0.00 N ATOM 746 CA VAL A 47 -6.045 -1.744 -2.212 1.00 0.00 C ATOM 747 C VAL A 47 -5.464 -1.419 -3.590 1.00 0.00 C ATOM 748 O VAL A 47 -5.941 -1.925 -4.604 1.00 0.00 O ATOM 749 CB VAL A 47 -5.506 -3.052 -1.628 1.00 0.00 C ATOM 750 CG1 VAL A 47 -5.760 -4.223 -2.580 1.00 0.00 C ATOM 751 CG2 VAL A 47 -4.018 -2.930 -1.295 1.00 0.00 C ATOM 0 H VAL A 47 -7.868 -2.706 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.736 -0.949 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.043 -3.252 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.367 -5.140 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.832 -4.330 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.262 -4.034 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.659 -3.873 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.460 -2.696 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.873 -2.135 -0.564 1.00 0.00 H new ATOM 761 N PHE A 48 -4.441 -0.576 -3.580 1.00 0.00 N ATOM 762 CA PHE A 48 -3.790 -0.177 -4.817 1.00 0.00 C ATOM 763 C PHE A 48 -2.301 -0.528 -4.789 1.00 0.00 C ATOM 764 O PHE A 48 -1.496 0.210 -4.224 1.00 0.00 O ATOM 765 CB PHE A 48 -3.943 1.340 -4.933 1.00 0.00 C ATOM 766 CG PHE A 48 -4.697 1.795 -6.185 1.00 0.00 C ATOM 767 CD1 PHE A 48 -4.039 1.919 -7.368 1.00 0.00 C ATOM 768 CD2 PHE A 48 -6.026 2.076 -6.113 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.739 2.342 -8.529 1.00 0.00 C ATOM 770 CE2 PHE A 48 -6.726 2.499 -7.273 1.00 0.00 C ATOM 771 CZ PHE A 48 -6.067 2.623 -8.458 1.00 0.00 C ATOM 0 H PHE A 48 -4.048 -0.159 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.243 -0.697 -5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.466 1.711 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.953 1.796 -4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.984 1.696 -7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.549 1.977 -5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.216 2.440 -9.469 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.781 2.722 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.599 2.944 -9.341 1.00 0.00 H new ATOM 781 N PHE A 49 -1.979 -1.655 -5.407 1.00 0.00 N ATOM 782 CA PHE A 49 -0.601 -2.113 -5.461 1.00 0.00 C ATOM 783 C PHE A 49 0.211 -1.289 -6.464 1.00 0.00 C ATOM 784 O PHE A 49 -0.174 -1.165 -7.625 1.00 0.00 O ATOM 785 CB PHE A 49 -0.631 -3.571 -5.922 1.00 0.00 C ATOM 786 CG PHE A 49 -0.676 -4.585 -4.778 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.804 -4.714 -4.029 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.411 -5.357 -4.510 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.846 -5.656 -2.967 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.369 -6.297 -3.447 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.758 -6.427 -2.698 1.00 0.00 C ATOM 0 H PHE A 49 -2.649 -2.265 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.135 -2.007 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.501 -3.721 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.251 -3.766 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.667 -4.101 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.306 -5.255 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.742 -5.760 -2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.233 -6.909 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.790 -7.142 -1.889 1.00 0.00 H new ATOM 801 N PHE A 50 1.318 -0.748 -5.977 1.00 0.00 N ATOM 802 CA PHE A 50 2.187 0.058 -6.815 1.00 0.00 C ATOM 803 C PHE A 50 3.214 -0.814 -7.542 1.00 0.00 C ATOM 804 O PHE A 50 3.315 -0.772 -8.766 1.00 0.00 O ATOM 805 CB PHE A 50 2.924 1.030 -5.893 1.00 0.00 C ATOM 806 CG PHE A 50 2.205 2.367 -5.695 1.00 0.00 C ATOM 807 CD1 PHE A 50 1.665 3.012 -6.763 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.107 2.909 -4.452 1.00 0.00 C ATOM 809 CE1 PHE A 50 0.998 4.253 -6.580 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.440 4.149 -4.268 1.00 0.00 C ATOM 811 CZ PHE A 50 0.899 4.795 -5.336 1.00 0.00 C ATOM 0 H PHE A 50 1.632 -0.853 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 50 1.596 0.580 -7.568 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.064 0.557 -4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.917 1.220 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.743 2.581 -7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.537 2.396 -3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.570 4.766 -7.428 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.362 4.579 -3.280 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.391 5.738 -5.196 1.00 0.00 H new ATOM 821 N GLY A 51 3.951 -1.584 -6.755 1.00 0.00 N ATOM 822 CA GLY A 51 4.966 -2.465 -7.305 1.00 0.00 C ATOM 823 C GLY A 51 4.483 -3.112 -8.606 1.00 0.00 C ATOM 824 O GLY A 51 5.167 -3.050 -9.625 1.00 0.00 O ATOM 0 H GLY A 51 3.865 -1.616 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.880 -1.901 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.213 -3.240 -6.579 1.00 0.00 H new ATOM 828 N THR A 52 3.307 -3.719 -8.526 1.00 0.00 N ATOM 829 CA THR A 52 2.725 -4.376 -9.683 1.00 0.00 C ATOM 830 C THR A 52 1.966 -3.365 -10.546 1.00 0.00 C ATOM 831 O THR A 52 1.819 -3.559 -11.751 1.00 0.00 O ATOM 832 CB THR A 52 1.849 -5.525 -9.182 1.00 0.00 C ATOM 833 OG1 THR A 52 0.939 -4.902 -8.279 1.00 0.00 O ATOM 834 CG2 THR A 52 2.623 -6.513 -8.307 1.00 0.00 C ATOM 0 H THR A 52 2.743 -3.769 -7.678 1.00 0.00 H new ATOM 0 HA THR A 52 3.496 -4.793 -10.330 1.00 0.00 H new ATOM 0 HB THR A 52 1.421 -6.052 -10.035 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.332 -5.577 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.955 -7.309 -7.978 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.443 -6.943 -8.882 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.023 -5.992 -7.437 1.00 0.00 H new ATOM 842 N HIS A 53 1.505 -2.307 -9.893 1.00 0.00 N ATOM 843 CA HIS A 53 0.764 -1.266 -10.586 1.00 0.00 C ATOM 844 C HIS A 53 -0.642 -1.770 -10.916 1.00 0.00 C ATOM 845 O HIS A 53 -1.175 -1.474 -11.984 1.00 0.00 O ATOM 846 CB HIS A 53 1.528 -0.787 -11.821 1.00 0.00 C ATOM 847 CG HIS A 53 1.365 0.686 -12.111 1.00 0.00 C ATOM 848 ND1 HIS A 53 2.167 1.368 -13.010 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.483 1.599 -11.613 1.00 0.00 C ATOM 850 CE1 HIS A 53 1.777 2.634 -13.044 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.734 2.775 -12.176 1.00 0.00 N ATOM 0 H HIS A 53 1.630 -2.149 -8.893 1.00 0.00 H new ATOM 0 HA HIS A 53 0.657 -0.397 -9.937 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.588 -1.005 -11.687 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.192 -1.357 -12.687 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.289 1.399 -10.884 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.208 3.416 -13.651 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.230 3.642 -11.990 1.00 0.00 H new ATOM 859 N GLU A 54 -1.203 -2.520 -9.979 1.00 0.00 N ATOM 860 CA GLU A 54 -2.537 -3.067 -10.158 1.00 0.00 C ATOM 861 C GLU A 54 -3.377 -2.839 -8.900 1.00 0.00 C ATOM 862 O GLU A 54 -2.838 -2.536 -7.836 1.00 0.00 O ATOM 863 CB GLU A 54 -2.477 -4.553 -10.516 1.00 0.00 C ATOM 864 CG GLU A 54 -1.978 -4.754 -11.948 1.00 0.00 C ATOM 865 CD GLU A 54 -3.109 -5.238 -12.859 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.518 -6.406 -12.683 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.537 -4.429 -13.709 1.00 0.00 O ATOM 0 H GLU A 54 -0.758 -2.762 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.014 -2.546 -10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.816 -5.071 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.466 -4.997 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.573 -3.817 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.164 -5.479 -11.955 1.00 0.00 H new ATOM 874 N THR A 55 -4.682 -2.994 -9.062 1.00 0.00 N ATOM 875 CA THR A 55 -5.602 -2.807 -7.953 1.00 0.00 C ATOM 876 C THR A 55 -6.119 -4.159 -7.457 1.00 0.00 C ATOM 877 O THR A 55 -6.038 -5.158 -8.169 1.00 0.00 O ATOM 878 CB THR A 55 -6.714 -1.863 -8.413 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.512 -0.684 -7.638 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.104 -2.348 -7.998 1.00 0.00 C ATOM 0 H THR A 55 -5.125 -3.247 -9.945 1.00 0.00 H new ATOM 0 HA THR A 55 -5.103 -2.350 -7.098 1.00 0.00 H new ATOM 0 HB THR A 55 -6.675 -1.759 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.582 0.104 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.856 -1.641 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.293 -3.328 -8.437 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.155 -2.421 -6.912 1.00 0.00 H new ATOM 888 N ALA A 56 -6.640 -4.146 -6.239 1.00 0.00 N ATOM 889 CA ALA A 56 -7.172 -5.359 -5.640 1.00 0.00 C ATOM 890 C ALA A 56 -8.066 -4.988 -4.455 1.00 0.00 C ATOM 891 O ALA A 56 -8.241 -3.810 -4.150 1.00 0.00 O ATOM 892 CB ALA A 56 -6.016 -6.276 -5.234 1.00 0.00 C ATOM 0 H ALA A 56 -6.705 -3.315 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.785 -5.905 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.414 -7.186 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.429 -6.533 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.381 -5.763 -4.512 1.00 0.00 H new ATOM 898 N PHE A 57 -8.607 -6.016 -3.819 1.00 0.00 N ATOM 899 CA PHE A 57 -9.480 -5.813 -2.674 1.00 0.00 C ATOM 900 C PHE A 57 -8.945 -6.547 -1.441 1.00 0.00 C ATOM 901 O PHE A 57 -9.073 -7.766 -1.338 1.00 0.00 O ATOM 902 CB PHE A 57 -10.847 -6.391 -3.046 1.00 0.00 C ATOM 903 CG PHE A 57 -10.777 -7.722 -3.796 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.441 -7.744 -5.113 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.050 -8.885 -3.145 1.00 0.00 C ATOM 906 CE1 PHE A 57 -10.376 -8.979 -5.811 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.985 -10.120 -3.842 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.650 -10.142 -5.160 1.00 0.00 C ATOM 0 H PHE A 57 -8.458 -6.992 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.540 -4.751 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.431 -6.529 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.381 -5.667 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.223 -6.821 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.316 -8.869 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.109 -8.995 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.202 -11.043 -3.325 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.601 -11.082 -5.690 1.00 0.00 H new ATOM 918 N LEU A 58 -8.360 -5.773 -0.540 1.00 0.00 N ATOM 919 CA LEU A 58 -7.807 -6.334 0.682 1.00 0.00 C ATOM 920 C LEU A 58 -8.382 -5.587 1.887 1.00 0.00 C ATOM 921 O LEU A 58 -9.158 -4.647 1.726 1.00 0.00 O ATOM 922 CB LEU A 58 -6.279 -6.333 0.628 1.00 0.00 C ATOM 923 CG LEU A 58 -5.638 -7.377 -0.290 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.141 -7.115 -0.456 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.920 -8.794 0.215 1.00 0.00 C ATOM 0 H LEU A 58 -8.256 -4.762 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.098 -7.379 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.947 -5.345 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.900 -6.485 1.638 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.091 -7.290 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.710 -7.871 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.991 -6.127 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.654 -7.160 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.454 -9.518 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.510 -8.911 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.996 -8.964 0.241 1.00 0.00 H new ATOM 937 N GLY A 59 -7.976 -6.032 3.067 1.00 0.00 N ATOM 938 CA GLY A 59 -8.440 -5.417 4.299 1.00 0.00 C ATOM 939 C GLY A 59 -7.262 -4.956 5.160 1.00 0.00 C ATOM 940 O GLY A 59 -6.147 -4.808 4.663 1.00 0.00 O ATOM 0 H GLY A 59 -7.331 -6.811 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.080 -4.566 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.047 -6.129 4.858 1.00 0.00 H new ATOM 944 N PRO A 60 -7.556 -4.738 6.469 1.00 0.00 N ATOM 945 CA PRO A 60 -6.535 -4.298 7.404 1.00 0.00 C ATOM 946 C PRO A 60 -5.597 -5.448 7.772 1.00 0.00 C ATOM 947 O PRO A 60 -4.440 -5.223 8.124 1.00 0.00 O ATOM 948 CB PRO A 60 -7.303 -3.753 8.597 1.00 0.00 C ATOM 949 CG PRO A 60 -8.705 -4.328 8.490 1.00 0.00 C ATOM 950 CD PRO A 60 -8.867 -4.903 7.092 1.00 0.00 C ATOM 0 HA PRO A 60 -5.882 -3.533 6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.830 -4.049 9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.326 -2.663 8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.858 -5.102 9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.450 -3.554 8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.160 -5.952 7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.640 -4.375 6.534 1.00 0.00 H new ATOM 958 N LYS A 61 -6.130 -6.659 7.677 1.00 0.00 N ATOM 959 CA LYS A 61 -5.355 -7.844 7.996 1.00 0.00 C ATOM 960 C LYS A 61 -4.358 -8.116 6.866 1.00 0.00 C ATOM 961 O LYS A 61 -3.401 -8.868 7.046 1.00 0.00 O ATOM 962 CB LYS A 61 -6.280 -9.026 8.296 1.00 0.00 C ATOM 963 CG LYS A 61 -5.479 -10.249 8.747 1.00 0.00 C ATOM 964 CD LYS A 61 -5.672 -10.510 10.242 1.00 0.00 C ATOM 965 CE LYS A 61 -4.652 -9.728 11.072 1.00 0.00 C ATOM 966 NZ LYS A 61 -4.131 -10.563 12.176 1.00 0.00 N ATOM 0 H LYS A 61 -7.089 -6.843 7.383 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.774 -7.685 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.992 -8.747 9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.859 -9.274 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.793 -11.124 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.421 -10.094 8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.682 -10.224 10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.570 -11.576 10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.829 -9.403 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.117 -8.829 11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.440 -10.016 12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.917 -10.852 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.669 -11.408 11.784 1.00 0.00 H new ATOM 980 N ASP A 62 -4.617 -7.489 5.729 1.00 0.00 N ATOM 981 CA ASP A 62 -3.755 -7.653 4.571 1.00 0.00 C ATOM 982 C ASP A 62 -2.857 -6.424 4.429 1.00 0.00 C ATOM 983 O ASP A 62 -2.116 -6.299 3.455 1.00 0.00 O ATOM 984 CB ASP A 62 -4.577 -7.789 3.287 1.00 0.00 C ATOM 985 CG ASP A 62 -4.915 -9.226 2.884 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.004 -9.896 2.352 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.077 -9.622 3.119 1.00 0.00 O ATOM 0 H ASP A 62 -5.412 -6.866 5.584 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.163 -8.556 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.507 -7.233 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.029 -7.318 2.471 1.00 0.00 H new ATOM 992 N LEU A 63 -2.953 -5.544 5.416 1.00 0.00 N ATOM 993 CA LEU A 63 -2.159 -4.327 5.414 1.00 0.00 C ATOM 994 C LEU A 63 -1.438 -4.191 6.756 1.00 0.00 C ATOM 995 O LEU A 63 -2.068 -4.238 7.811 1.00 0.00 O ATOM 996 CB LEU A 63 -3.028 -3.119 5.058 1.00 0.00 C ATOM 997 CG LEU A 63 -2.862 -2.566 3.643 1.00 0.00 C ATOM 998 CD1 LEU A 63 -3.728 -1.323 3.434 1.00 0.00 C ATOM 999 CD2 LEU A 63 -1.387 -2.296 3.329 1.00 0.00 C ATOM 0 H LEU A 63 -3.569 -5.650 6.222 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.391 -4.376 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.073 -3.395 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.811 -2.320 5.767 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.209 -3.322 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.591 -0.950 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.776 -1.580 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.435 -0.552 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.297 -1.903 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.992 -1.568 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.822 -3.225 3.410 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.125 -4.027 6.673 1.00 0.00 N ATOM 1012 CA PHE A 64 0.689 -3.886 7.869 1.00 0.00 C ATOM 1013 C PHE A 64 1.518 -2.601 7.817 1.00 0.00 C ATOM 1014 O PHE A 64 1.974 -2.194 6.749 1.00 0.00 O ATOM 1015 CB PHE A 64 1.634 -5.087 7.912 1.00 0.00 C ATOM 1016 CG PHE A 64 1.575 -5.879 9.221 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.601 -6.807 9.410 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.498 -5.653 10.194 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.544 -7.541 10.624 1.00 0.00 C ATOM 1020 CE2 PHE A 64 2.443 -6.387 11.408 1.00 0.00 C ATOM 1021 CZ PHE A 64 1.468 -7.315 11.597 1.00 0.00 C ATOM 0 H PHE A 64 0.395 -3.989 5.796 1.00 0.00 H new ATOM 0 HA PHE A 64 0.050 -3.840 8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.395 -5.755 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.655 -4.739 7.756 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.131 -6.987 8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.272 -4.915 10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.231 -8.277 10.775 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.176 -6.208 12.181 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.427 -7.874 12.520 1.00 0.00 H new ATOM 1031 N PRO A 65 1.694 -1.981 9.015 1.00 0.00 N ATOM 1032 CA PRO A 65 2.461 -0.752 9.118 1.00 0.00 C ATOM 1033 C PRO A 65 3.961 -1.030 9.002 1.00 0.00 C ATOM 1034 O PRO A 65 4.390 -2.179 9.078 1.00 0.00 O ATOM 1035 CB PRO A 65 2.069 -0.154 10.458 1.00 0.00 C ATOM 1036 CG PRO A 65 1.457 -1.292 11.260 1.00 0.00 C ATOM 1037 CD PRO A 65 1.168 -2.435 10.299 1.00 0.00 C ATOM 0 HA PRO A 65 2.247 -0.054 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.937 0.261 10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.356 0.660 10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.140 -1.616 12.045 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.540 -0.964 11.750 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.653 -3.356 10.622 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.099 -2.641 10.239 1.00 0.00 H new ATOM 1045 N TYR A 66 4.717 0.043 8.821 1.00 0.00 N ATOM 1046 CA TYR A 66 6.160 -0.071 8.695 1.00 0.00 C ATOM 1047 C TYR A 66 6.820 -0.224 10.066 1.00 0.00 C ATOM 1048 O TYR A 66 7.764 -0.996 10.222 1.00 0.00 O ATOM 1049 CB TYR A 66 6.632 1.237 8.057 1.00 0.00 C ATOM 1050 CG TYR A 66 8.091 1.586 8.360 1.00 0.00 C ATOM 1051 CD1 TYR A 66 9.109 0.882 7.751 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.388 2.604 9.242 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.482 1.210 8.037 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.761 2.933 9.528 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.740 2.219 8.909 1.00 0.00 C ATOM 1056 OH TYR A 66 12.036 2.529 9.180 1.00 0.00 O ATOM 0 H TYR A 66 4.357 0.995 8.759 1.00 0.00 H new ATOM 0 HA TYR A 66 6.426 -0.945 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.502 1.170 6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.995 2.050 8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.877 0.085 7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.591 3.155 9.719 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.289 0.666 7.568 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.007 3.727 10.217 1.00 0.00 H new ATOM 0 HH TYR A 66 12.068 3.271 9.819 1.00 0.00 H new ATOM 1066 N GLU A 67 6.296 0.526 11.026 1.00 0.00 N ATOM 1067 CA GLU A 67 6.825 0.483 12.380 1.00 0.00 C ATOM 1068 C GLU A 67 6.886 -0.961 12.879 1.00 0.00 C ATOM 1069 O GLU A 67 7.925 -1.411 13.360 1.00 0.00 O ATOM 1070 CB GLU A 67 5.989 1.354 13.321 1.00 0.00 C ATOM 1071 CG GLU A 67 6.724 2.653 13.661 1.00 0.00 C ATOM 1072 CD GLU A 67 7.107 2.691 15.142 1.00 0.00 C ATOM 1073 OE1 GLU A 67 8.133 2.061 15.479 1.00 0.00 O ATOM 1074 OE2 GLU A 67 6.368 3.352 15.903 1.00 0.00 O ATOM 0 H GLU A 67 5.512 1.165 10.893 1.00 0.00 H new ATOM 0 HA GLU A 67 7.838 0.886 12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.031 1.585 12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.773 0.803 14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.620 2.740 13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.090 3.507 13.423 1.00 0.00 H new ATOM 1081 N GLU A 68 5.760 -1.647 12.750 1.00 0.00 N ATOM 1082 CA GLU A 68 5.673 -3.032 13.184 1.00 0.00 C ATOM 1083 C GLU A 68 6.405 -3.943 12.197 1.00 0.00 C ATOM 1084 O GLU A 68 7.194 -4.796 12.601 1.00 0.00 O ATOM 1085 CB GLU A 68 4.215 -3.463 13.352 1.00 0.00 C ATOM 1086 CG GLU A 68 3.841 -3.564 14.833 1.00 0.00 C ATOM 1087 CD GLU A 68 4.268 -4.914 15.414 1.00 0.00 C ATOM 1088 OE1 GLU A 68 5.421 -4.987 15.891 1.00 0.00 O ATOM 1089 OE2 GLU A 68 3.430 -5.841 15.371 1.00 0.00 O ATOM 0 H GLU A 68 4.900 -1.270 12.351 1.00 0.00 H new ATOM 0 HA GLU A 68 6.157 -3.120 14.157 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.561 -2.746 12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.058 -4.427 12.867 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.319 -2.757 15.389 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.765 -3.438 14.950 1.00 0.00 H new ATOM 1096 N SER A 69 6.116 -3.733 10.921 1.00 0.00 N ATOM 1097 CA SER A 69 6.735 -4.526 9.873 1.00 0.00 C ATOM 1098 C SER A 69 8.258 -4.479 10.014 1.00 0.00 C ATOM 1099 O SER A 69 8.926 -5.509 9.928 1.00 0.00 O ATOM 1100 CB SER A 69 6.315 -4.033 8.487 1.00 0.00 C ATOM 1101 OG SER A 69 5.009 -4.484 8.134 1.00 0.00 O ATOM 0 H SER A 69 5.461 -3.025 10.589 1.00 0.00 H new ATOM 0 HA SER A 69 6.397 -5.557 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.340 -2.943 8.466 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.033 -4.383 7.745 1.00 0.00 H new ATOM 0 HG SER A 69 4.348 -3.808 8.392 1.00 0.00 H new ATOM 1107 N LYS A 70 8.764 -3.272 10.226 1.00 0.00 N ATOM 1108 CA LYS A 70 10.196 -3.078 10.378 1.00 0.00 C ATOM 1109 C LYS A 70 10.632 -3.587 11.753 1.00 0.00 C ATOM 1110 O LYS A 70 11.809 -3.870 11.969 1.00 0.00 O ATOM 1111 CB LYS A 70 10.569 -1.618 10.115 1.00 0.00 C ATOM 1112 CG LYS A 70 10.262 -0.746 11.336 1.00 0.00 C ATOM 1113 CD LYS A 70 11.527 -0.057 11.850 1.00 0.00 C ATOM 1114 CE LYS A 70 11.230 1.373 12.301 1.00 0.00 C ATOM 1115 NZ LYS A 70 12.310 1.877 13.178 1.00 0.00 N ATOM 0 H LYS A 70 8.208 -2.420 10.296 1.00 0.00 H new ATOM 0 HA LYS A 70 10.741 -3.661 9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.629 -1.548 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.017 -1.248 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.516 0.004 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.831 -1.360 12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.942 -0.625 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.283 -0.044 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.129 2.021 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.279 1.402 12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.091 2.850 13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.388 1.268 14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.211 1.868 12.659 1.00 0.00 H new ATOM 1129 N GLU A 71 9.659 -3.688 12.647 1.00 0.00 N ATOM 1130 CA GLU A 71 9.929 -4.158 13.996 1.00 0.00 C ATOM 1131 C GLU A 71 10.495 -5.577 13.960 1.00 0.00 C ATOM 1132 O GLU A 71 11.465 -5.880 14.654 1.00 0.00 O ATOM 1133 CB GLU A 71 8.667 -4.091 14.860 1.00 0.00 C ATOM 1134 CG GLU A 71 9.023 -4.104 16.349 1.00 0.00 C ATOM 1135 CD GLU A 71 7.892 -4.718 17.176 1.00 0.00 C ATOM 1136 OE1 GLU A 71 7.851 -5.965 17.246 1.00 0.00 O ATOM 1137 OE2 GLU A 71 7.094 -3.925 17.721 1.00 0.00 O ATOM 0 H GLU A 71 8.683 -3.453 12.464 1.00 0.00 H new ATOM 0 HA GLU A 71 10.675 -3.503 14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.107 -3.186 14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.018 -4.936 14.630 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.941 -4.672 16.503 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.217 -3.087 16.689 1.00 0.00 H new ATOM 1144 N LYS A 72 9.866 -6.411 13.143 1.00 0.00 N ATOM 1145 CA LYS A 72 10.296 -7.793 13.008 1.00 0.00 C ATOM 1146 C LYS A 72 11.070 -7.956 11.699 1.00 0.00 C ATOM 1147 O LYS A 72 12.271 -8.217 11.712 1.00 0.00 O ATOM 1148 CB LYS A 72 9.103 -8.741 13.141 1.00 0.00 C ATOM 1149 CG LYS A 72 9.474 -10.156 12.693 1.00 0.00 C ATOM 1150 CD LYS A 72 10.403 -10.825 13.710 1.00 0.00 C ATOM 1151 CE LYS A 72 11.603 -11.469 13.013 1.00 0.00 C ATOM 1152 NZ LYS A 72 12.040 -12.679 13.746 1.00 0.00 N ATOM 0 H LYS A 72 9.063 -6.156 12.569 1.00 0.00 H new ATOM 0 HA LYS A 72 10.977 -8.061 13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.764 -8.761 14.177 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.272 -8.372 12.540 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.570 -10.753 12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.962 -10.117 11.719 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.750 -10.086 14.432 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.852 -11.582 14.268 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.338 -11.733 11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.424 -10.755 12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.855 -13.104 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.312 -12.418 14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.260 -13.366 13.779 1.00 0.00 H new ATOM 1166 N PHE A 73 10.349 -7.795 10.599 1.00 0.00 N ATOM 1167 CA PHE A 73 10.952 -7.920 9.284 1.00 0.00 C ATOM 1168 C PHE A 73 10.558 -6.746 8.384 1.00 0.00 C ATOM 1169 O PHE A 73 11.311 -5.782 8.251 1.00 0.00 O ATOM 1170 CB PHE A 73 10.421 -9.218 8.670 1.00 0.00 C ATOM 1171 CG PHE A 73 11.416 -10.377 8.708 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.003 -10.730 9.883 1.00 0.00 C ATOM 1173 CD2 PHE A 73 11.712 -11.058 7.568 1.00 0.00 C ATOM 1174 CE1 PHE A 73 12.929 -11.808 9.919 1.00 0.00 C ATOM 1175 CE2 PHE A 73 12.637 -12.135 7.604 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.226 -12.487 8.778 1.00 0.00 C ATOM 0 H PHE A 73 9.352 -7.579 10.592 1.00 0.00 H new ATOM 0 HA PHE A 73 12.038 -7.925 9.373 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.515 -9.513 9.198 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.139 -9.029 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.766 -10.191 10.789 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.243 -10.780 6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.396 -12.088 10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.873 -12.675 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.930 -13.306 8.805 1.00 0.00 H new ATOM 1186 N GLY A 74 9.379 -6.864 7.793 1.00 0.00 N ATOM 1187 CA GLY A 74 8.877 -5.825 6.910 1.00 0.00 C ATOM 1188 C GLY A 74 9.680 -5.773 5.610 1.00 0.00 C ATOM 1189 O GLY A 74 9.522 -4.849 4.814 1.00 0.00 O ATOM 0 H GLY A 74 8.756 -7.664 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.827 -6.010 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.930 -4.859 7.413 1.00 0.00 H new ATOM 1193 N LYS A 75 10.528 -6.777 5.435 1.00 0.00 N ATOM 1194 CA LYS A 75 11.359 -6.857 4.245 1.00 0.00 C ATOM 1195 C LYS A 75 10.951 -8.084 3.427 1.00 0.00 C ATOM 1196 O LYS A 75 11.426 -9.189 3.680 1.00 0.00 O ATOM 1197 CB LYS A 75 12.841 -6.833 4.623 1.00 0.00 C ATOM 1198 CG LYS A 75 13.131 -5.723 5.635 1.00 0.00 C ATOM 1199 CD LYS A 75 14.380 -6.046 6.458 1.00 0.00 C ATOM 1200 CE LYS A 75 15.630 -6.062 5.576 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.538 -4.951 5.942 1.00 0.00 N ATOM 0 H LYS A 75 10.657 -7.542 6.097 1.00 0.00 H new ATOM 0 HA LYS A 75 11.203 -5.984 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.128 -7.797 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.446 -6.682 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.270 -4.776 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.276 -5.598 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.499 -5.307 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.260 -7.015 6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.148 -7.014 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.344 -5.975 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.381 -4.977 5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.046 -4.044 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.826 -5.051 6.936 1.00 0.00 H new ATOM 1215 N PRO A 76 10.053 -7.841 2.434 1.00 0.00 N ATOM 1216 CA PRO A 76 9.578 -8.911 1.577 1.00 0.00 C ATOM 1217 C PRO A 76 10.645 -9.315 0.559 1.00 0.00 C ATOM 1218 O PRO A 76 11.700 -8.687 0.478 1.00 0.00 O ATOM 1219 CB PRO A 76 8.315 -8.366 0.929 1.00 0.00 C ATOM 1220 CG PRO A 76 8.385 -6.856 1.085 1.00 0.00 C ATOM 1221 CD PRO A 76 9.469 -6.543 2.105 1.00 0.00 C ATOM 0 HA PRO A 76 9.364 -9.826 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.263 -8.648 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.424 -8.768 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.612 -6.384 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.424 -6.461 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.217 -5.865 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.053 -6.060 2.989 1.00 0.00 H new ATOM 1229 N ASN A 77 10.334 -10.360 -0.196 1.00 0.00 N ATOM 1230 CA ASN A 77 11.254 -10.853 -1.206 1.00 0.00 C ATOM 1231 C ASN A 77 11.730 -9.685 -2.072 1.00 0.00 C ATOM 1232 O ASN A 77 10.915 -8.930 -2.602 1.00 0.00 O ATOM 1233 CB ASN A 77 10.573 -11.873 -2.120 1.00 0.00 C ATOM 1234 CG ASN A 77 10.545 -13.258 -1.474 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.558 -14.283 -2.136 1.00 0.00 O ATOM 1236 ND2 ASN A 77 10.508 -13.235 -0.144 1.00 0.00 N ATOM 0 H ASN A 77 9.458 -10.878 -0.128 1.00 0.00 H new ATOM 0 HA ASN A 77 12.091 -11.329 -0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.555 -11.549 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.102 -11.923 -3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.489 -14.109 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.499 -12.343 0.351 1.00 0.00 H new ATOM 1243 N LYS A 78 13.045 -9.573 -2.187 1.00 0.00 N ATOM 1244 CA LYS A 78 13.638 -8.509 -2.978 1.00 0.00 C ATOM 1245 C LYS A 78 13.560 -8.879 -4.462 1.00 0.00 C ATOM 1246 O LYS A 78 14.503 -9.446 -5.013 1.00 0.00 O ATOM 1247 CB LYS A 78 15.058 -8.207 -2.493 1.00 0.00 C ATOM 1248 CG LYS A 78 15.095 -6.913 -1.679 1.00 0.00 C ATOM 1249 CD LYS A 78 14.591 -7.147 -0.254 1.00 0.00 C ATOM 1250 CE LYS A 78 15.356 -6.279 0.748 1.00 0.00 C ATOM 1251 NZ LYS A 78 15.009 -4.852 0.567 1.00 0.00 N ATOM 0 H LYS A 78 13.716 -10.202 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 78 13.079 -7.582 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.422 -9.035 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.728 -8.122 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.114 -6.527 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.481 -6.155 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.526 -6.920 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.706 -8.199 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.118 -6.591 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.429 -6.418 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.906 -4.399 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.763 -4.376 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.113 -4.776 0.044 1.00 0.00 H new ATOM 1265 N ARG A 79 12.429 -8.544 -5.064 1.00 0.00 N ATOM 1266 CA ARG A 79 12.217 -8.835 -6.473 1.00 0.00 C ATOM 1267 C ARG A 79 12.444 -7.578 -7.313 1.00 0.00 C ATOM 1268 O ARG A 79 12.851 -6.541 -6.790 1.00 0.00 O ATOM 1269 CB ARG A 79 10.801 -9.356 -6.719 1.00 0.00 C ATOM 1270 CG ARG A 79 10.665 -10.812 -6.265 1.00 0.00 C ATOM 1271 CD ARG A 79 11.248 -11.767 -7.309 1.00 0.00 C ATOM 1272 NE ARG A 79 11.698 -13.016 -6.655 1.00 0.00 N ATOM 1273 CZ ARG A 79 10.887 -14.035 -6.341 1.00 0.00 C ATOM 1274 NH1 ARG A 79 9.577 -13.958 -6.618 1.00 0.00 N ATOM 1275 NH2 ARG A 79 11.383 -15.130 -5.750 1.00 0.00 N ATOM 0 H ARG A 79 11.650 -8.074 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 79 12.931 -9.605 -6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.083 -8.736 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.560 -9.278 -7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.179 -10.950 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.614 -11.048 -6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.498 -11.993 -8.067 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.085 -11.293 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 79 12.688 -13.107 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.199 -13.124 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.959 -14.733 -6.379 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.379 -15.189 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.765 -15.905 -5.511 1.00 0.00 H new ATOM 1289 N LYS A 80 12.172 -7.709 -8.603 1.00 0.00 N ATOM 1290 CA LYS A 80 12.342 -6.598 -9.522 1.00 0.00 C ATOM 1291 C LYS A 80 11.296 -5.523 -9.214 1.00 0.00 C ATOM 1292 O LYS A 80 11.639 -4.360 -9.010 1.00 0.00 O ATOM 1293 CB LYS A 80 12.310 -7.089 -10.971 1.00 0.00 C ATOM 1294 CG LYS A 80 13.611 -7.806 -11.336 1.00 0.00 C ATOM 1295 CD LYS A 80 14.368 -7.048 -12.427 1.00 0.00 C ATOM 1296 CE LYS A 80 15.483 -6.189 -11.826 1.00 0.00 C ATOM 1297 NZ LYS A 80 16.454 -5.795 -12.870 1.00 0.00 N ATOM 0 H LYS A 80 11.834 -8.570 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 80 13.322 -6.140 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.466 -7.765 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.156 -6.244 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.240 -7.899 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.389 -8.817 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.793 -7.756 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.676 -6.415 -12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.056 -5.299 -11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.993 -6.743 -11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.204 -5.213 -12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.875 -6.647 -13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.967 -5.248 -13.608 1.00 0.00 H new ATOM 1311 N GLY A 81 10.042 -5.952 -9.192 1.00 0.00 N ATOM 1312 CA GLY A 81 8.946 -5.041 -8.911 1.00 0.00 C ATOM 1313 C GLY A 81 8.967 -4.589 -7.451 1.00 0.00 C ATOM 1314 O GLY A 81 8.173 -3.741 -7.048 1.00 0.00 O ATOM 0 H GLY A 81 9.761 -6.917 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.015 -4.172 -9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.997 -5.530 -9.130 1.00 0.00 H new ATOM 1318 N PHE A 82 9.884 -5.177 -6.696 1.00 0.00 N ATOM 1319 CA PHE A 82 10.020 -4.844 -5.288 1.00 0.00 C ATOM 1320 C PHE A 82 10.843 -3.567 -5.102 1.00 0.00 C ATOM 1321 O PHE A 82 10.441 -2.666 -4.369 1.00 0.00 O ATOM 1322 CB PHE A 82 10.751 -6.011 -4.622 1.00 0.00 C ATOM 1323 CG PHE A 82 11.170 -5.739 -3.175 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.126 -4.809 -2.906 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.584 -6.426 -2.158 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.514 -4.557 -1.565 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.971 -6.173 -0.815 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.929 -5.244 -0.547 1.00 0.00 C ATOM 0 H PHE A 82 10.540 -5.882 -7.033 1.00 0.00 H new ATOM 0 HA PHE A 82 9.037 -4.676 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.107 -6.890 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.638 -6.252 -5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.590 -4.262 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.825 -7.164 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.274 -3.820 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.505 -6.717 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.225 -5.052 0.474 1.00 0.00 H new ATOM 1338 N SER A 83 11.981 -3.532 -5.780 1.00 0.00 N ATOM 1339 CA SER A 83 12.865 -2.382 -5.699 1.00 0.00 C ATOM 1340 C SER A 83 12.214 -1.173 -6.374 1.00 0.00 C ATOM 1341 O SER A 83 12.080 -0.115 -5.762 1.00 0.00 O ATOM 1342 CB SER A 83 14.221 -2.682 -6.342 1.00 0.00 C ATOM 1343 OG SER A 83 15.053 -1.527 -6.399 1.00 0.00 O ATOM 0 H SER A 83 12.311 -4.282 -6.388 1.00 0.00 H new ATOM 0 HA SER A 83 13.035 -2.155 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.726 -3.464 -5.775 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.067 -3.068 -7.350 1.00 0.00 H new ATOM 0 HG SER A 83 15.909 -1.761 -6.814 1.00 0.00 H new ATOM 1349 N GLU A 84 11.826 -1.372 -7.625 1.00 0.00 N ATOM 1350 CA GLU A 84 11.190 -0.312 -8.389 1.00 0.00 C ATOM 1351 C GLU A 84 9.786 -0.036 -7.849 1.00 0.00 C ATOM 1352 O GLU A 84 9.145 0.936 -8.245 1.00 0.00 O ATOM 1353 CB GLU A 84 11.147 -0.659 -9.878 1.00 0.00 C ATOM 1354 CG GLU A 84 9.870 -1.424 -10.226 1.00 0.00 C ATOM 1355 CD GLU A 84 9.888 -1.890 -11.682 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.919 -2.475 -12.079 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.870 -1.652 -12.368 1.00 0.00 O ATOM 0 H GLU A 84 11.940 -2.252 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 84 11.784 0.595 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.200 0.255 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.018 -1.260 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.767 -2.286 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.002 -0.787 -10.055 1.00 0.00 H new ATOM 1364 N GLY A 85 9.349 -0.909 -6.953 1.00 0.00 N ATOM 1365 CA GLY A 85 8.031 -0.772 -6.357 1.00 0.00 C ATOM 1366 C GLY A 85 8.055 0.232 -5.202 1.00 0.00 C ATOM 1367 O GLY A 85 7.411 1.278 -5.271 1.00 0.00 O ATOM 0 H GLY A 85 9.884 -1.713 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.318 -0.445 -7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.689 -1.741 -5.994 1.00 0.00 H new ATOM 1371 N LEU A 86 8.805 -0.122 -4.168 1.00 0.00 N ATOM 1372 CA LEU A 86 8.921 0.737 -3.000 1.00 0.00 C ATOM 1373 C LEU A 86 9.473 2.099 -3.426 1.00 0.00 C ATOM 1374 O LEU A 86 9.256 3.100 -2.746 1.00 0.00 O ATOM 1375 CB LEU A 86 9.750 0.051 -1.912 1.00 0.00 C ATOM 1376 CG LEU A 86 11.247 0.370 -1.908 1.00 0.00 C ATOM 1377 CD1 LEU A 86 11.888 0.006 -3.249 1.00 0.00 C ATOM 1378 CD2 LEU A 86 11.494 1.832 -1.531 1.00 0.00 C ATOM 0 H LEU A 86 9.338 -0.990 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 86 7.940 0.914 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.338 0.326 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.629 -1.027 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 86 11.726 -0.244 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.952 0.242 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.758 -1.060 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.411 0.576 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.565 2.033 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.000 2.482 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.093 2.024 -0.536 1.00 0.00 H new ATOM 1390 N TRP A 87 10.175 2.092 -4.550 1.00 0.00 N ATOM 1391 CA TRP A 87 10.759 3.315 -5.074 1.00 0.00 C ATOM 1392 C TRP A 87 9.701 4.016 -5.929 1.00 0.00 C ATOM 1393 O TRP A 87 9.706 5.240 -6.049 1.00 0.00 O ATOM 1394 CB TRP A 87 12.049 3.021 -5.842 1.00 0.00 C ATOM 1395 CG TRP A 87 13.233 3.896 -5.428 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.531 5.134 -5.844 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.274 3.544 -4.491 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.683 5.605 -5.248 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.149 4.608 -4.399 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.471 2.367 -3.747 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.280 4.601 -3.573 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.606 2.375 -2.928 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.495 3.439 -2.822 1.00 0.00 C ATOM 0 H TRP A 87 10.352 1.259 -5.112 1.00 0.00 H new ATOM 0 HA TRP A 87 11.049 3.982 -4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.316 1.974 -5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.864 3.158 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.943 5.693 -6.557 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.113 6.517 -5.402 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.799 1.523 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.950 5.446 -3.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.805 1.493 -2.337 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.348 3.369 -2.163 1.00 0.00 H new ATOM 1414 N GLU A 88 8.819 3.209 -6.501 1.00 0.00 N ATOM 1415 CA GLU A 88 7.757 3.737 -7.341 1.00 0.00 C ATOM 1416 C GLU A 88 6.778 4.562 -6.504 1.00 0.00 C ATOM 1417 O GLU A 88 6.089 5.436 -7.028 1.00 0.00 O ATOM 1418 CB GLU A 88 7.032 2.610 -8.080 1.00 0.00 C ATOM 1419 CG GLU A 88 7.522 2.497 -9.524 1.00 0.00 C ATOM 1420 CD GLU A 88 6.625 3.295 -10.472 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.596 2.722 -10.895 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.987 4.457 -10.755 1.00 0.00 O ATOM 0 H GLU A 88 8.818 2.194 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 88 8.204 4.391 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.197 1.666 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.958 2.796 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.547 2.862 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.536 1.450 -9.826 1.00 0.00 H new ATOM 1429 N ILE A 89 6.749 4.256 -5.214 1.00 0.00 N ATOM 1430 CA ILE A 89 5.865 4.959 -4.299 1.00 0.00 C ATOM 1431 C ILE A 89 6.664 6.018 -3.538 1.00 0.00 C ATOM 1432 O ILE A 89 6.206 7.147 -3.372 1.00 0.00 O ATOM 1433 CB ILE A 89 5.137 3.966 -3.389 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.578 4.667 -2.150 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.045 2.791 -3.022 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.669 4.872 -1.095 1.00 0.00 C ATOM 0 H ILE A 89 7.323 3.532 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 89 5.084 5.483 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 89 4.289 3.558 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.155 5.631 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.766 4.075 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.503 2.101 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.353 2.272 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.927 3.162 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.244 5.372 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.073 3.905 -0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.468 5.485 -1.512 1.00 0.00 H new ATOM 1448 N GLU A 90 7.847 5.617 -3.095 1.00 0.00 N ATOM 1449 CA GLU A 90 8.715 6.517 -2.357 1.00 0.00 C ATOM 1450 C GLU A 90 9.263 7.604 -3.282 1.00 0.00 C ATOM 1451 O GLU A 90 9.595 8.700 -2.831 1.00 0.00 O ATOM 1452 CB GLU A 90 9.852 5.750 -1.678 1.00 0.00 C ATOM 1453 CG GLU A 90 9.360 5.043 -0.414 1.00 0.00 C ATOM 1454 CD GLU A 90 9.951 5.688 0.841 1.00 0.00 C ATOM 1455 OE1 GLU A 90 9.384 6.716 1.271 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.957 5.140 1.342 1.00 0.00 O ATOM 0 H GLU A 90 8.224 4.680 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 90 8.127 6.996 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.265 5.017 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.658 6.438 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.272 5.084 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.638 3.990 -0.451 1.00 0.00 H new ATOM 1463 N ASN A 91 9.340 7.265 -4.559 1.00 0.00 N ATOM 1464 CA ASN A 91 9.843 8.200 -5.553 1.00 0.00 C ATOM 1465 C ASN A 91 8.906 8.203 -6.764 1.00 0.00 C ATOM 1466 O ASN A 91 9.317 7.861 -7.872 1.00 0.00 O ATOM 1467 CB ASN A 91 11.237 7.796 -6.035 1.00 0.00 C ATOM 1468 CG ASN A 91 12.126 7.386 -4.858 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.142 7.998 -4.572 1.00 0.00 O ATOM 1470 ND2 ASN A 91 11.688 6.319 -4.196 1.00 0.00 N ATOM 0 H ASN A 91 9.063 6.356 -4.930 1.00 0.00 H new ATOM 0 HA ASN A 91 9.893 9.187 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.156 6.969 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.696 8.627 -6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.211 5.966 -3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.829 5.854 -4.489 1.00 0.00 H new ATOM 1477 N ASN A 92 7.665 8.591 -6.511 1.00 0.00 N ATOM 1478 CA ASN A 92 6.668 8.642 -7.566 1.00 0.00 C ATOM 1479 C ASN A 92 6.990 9.801 -8.512 1.00 0.00 C ATOM 1480 O ASN A 92 7.669 10.751 -8.126 1.00 0.00 O ATOM 1481 CB ASN A 92 5.269 8.875 -6.992 1.00 0.00 C ATOM 1482 CG ASN A 92 5.288 9.985 -5.937 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.329 10.484 -5.545 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.083 10.338 -5.501 1.00 0.00 N ATOM 0 H ASN A 92 7.327 8.873 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 92 6.687 7.688 -8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.582 9.143 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.896 7.952 -6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.990 11.068 -4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.251 9.879 -5.872 1.00 0.00 H new ATOM 1491 N PRO A 93 6.477 9.680 -9.766 1.00 0.00 N ATOM 1492 CA PRO A 93 6.703 10.706 -10.768 1.00 0.00 C ATOM 1493 C PRO A 93 5.840 11.940 -10.496 1.00 0.00 C ATOM 1494 O PRO A 93 6.284 13.069 -10.697 1.00 0.00 O ATOM 1495 CB PRO A 93 6.381 10.036 -12.095 1.00 0.00 C ATOM 1496 CG PRO A 93 5.545 8.814 -11.752 1.00 0.00 C ATOM 1497 CD PRO A 93 5.670 8.567 -10.258 1.00 0.00 C ATOM 0 HA PRO A 93 7.727 11.081 -10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.833 10.712 -12.751 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.293 9.751 -12.620 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.502 8.976 -12.026 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.891 7.946 -12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.692 8.544 -9.777 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.149 7.609 -10.053 1.00 0.00 H new ATOM 1505 N THR A 94 4.622 11.680 -10.043 1.00 0.00 N ATOM 1506 CA THR A 94 3.692 12.757 -9.742 1.00 0.00 C ATOM 1507 C THR A 94 3.400 12.803 -8.240 1.00 0.00 C ATOM 1508 O THR A 94 2.456 12.169 -7.769 1.00 0.00 O ATOM 1509 CB THR A 94 2.441 12.555 -10.599 1.00 0.00 C ATOM 1510 OG1 THR A 94 2.932 12.574 -11.936 1.00 0.00 O ATOM 1511 CG2 THR A 94 1.488 13.749 -10.533 1.00 0.00 C ATOM 0 H THR A 94 4.258 10.742 -9.877 1.00 0.00 H new ATOM 0 HA THR A 94 4.118 13.729 -9.989 1.00 0.00 H new ATOM 0 HB THR A 94 1.918 11.656 -10.274 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.187 12.448 -12.560 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.617 13.554 -11.159 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.168 13.902 -9.502 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.999 14.643 -10.891 1.00 0.00 H new ATOM 1519 N VAL A 95 4.225 13.559 -7.531 1.00 0.00 N ATOM 1520 CA VAL A 95 4.068 13.695 -6.094 1.00 0.00 C ATOM 1521 C VAL A 95 3.233 14.942 -5.794 1.00 0.00 C ATOM 1522 O VAL A 95 2.731 15.593 -6.709 1.00 0.00 O ATOM 1523 CB VAL A 95 5.438 13.715 -5.416 1.00 0.00 C ATOM 1524 CG1 VAL A 95 6.069 15.107 -5.495 1.00 0.00 C ATOM 1525 CG2 VAL A 95 5.339 13.240 -3.965 1.00 0.00 C ATOM 0 H VAL A 95 5.005 14.084 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 95 3.533 12.838 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 95 6.087 13.022 -5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.043 15.093 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.192 15.392 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.422 15.829 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.327 13.264 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.666 13.896 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.953 12.221 -3.941 1.00 0.00 H new ATOM 1535 N LYS A 96 3.112 15.239 -4.508 1.00 0.00 N ATOM 1536 CA LYS A 96 2.348 16.397 -4.075 1.00 0.00 C ATOM 1537 C LYS A 96 2.505 16.570 -2.563 1.00 0.00 C ATOM 1538 O LYS A 96 2.630 17.690 -2.072 1.00 0.00 O ATOM 1539 CB LYS A 96 0.893 16.280 -4.534 1.00 0.00 C ATOM 1540 CG LYS A 96 0.113 15.311 -3.644 1.00 0.00 C ATOM 1541 CD LYS A 96 -0.550 16.048 -2.479 1.00 0.00 C ATOM 1542 CE LYS A 96 -1.519 15.132 -1.730 1.00 0.00 C ATOM 1543 NZ LYS A 96 -2.895 15.292 -2.253 1.00 0.00 N ATOM 0 H LYS A 96 3.530 14.697 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 96 2.733 17.304 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.420 17.262 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.861 15.936 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.647 14.800 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.785 14.545 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.214 16.413 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.085 16.921 -2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.202 14.094 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.499 15.365 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.539 14.663 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.201 16.279 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.913 15.047 -3.264 1.00 0.00 H new ATOM 1557 N ALA A 97 2.493 15.443 -1.866 1.00 0.00 N ATOM 1558 CA ALA A 97 2.630 15.456 -0.420 1.00 0.00 C ATOM 1559 C ALA A 97 3.939 14.763 -0.031 1.00 0.00 C ATOM 1560 O ALA A 97 3.938 13.587 0.330 1.00 0.00 O ATOM 1561 CB ALA A 97 1.408 14.793 0.216 1.00 0.00 C ATOM 0 H ALA A 97 2.390 14.515 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 97 2.674 16.480 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.512 14.803 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.509 15.340 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.331 13.763 -0.131 1.00 0.00 H new ATOM 1567 N SER A 98 5.022 15.522 -0.119 1.00 0.00 N ATOM 1568 CA SER A 98 6.333 14.995 0.219 1.00 0.00 C ATOM 1569 C SER A 98 6.952 15.819 1.349 1.00 0.00 C ATOM 1570 O SER A 98 7.203 15.300 2.436 1.00 0.00 O ATOM 1571 CB SER A 98 7.255 14.989 -1.000 1.00 0.00 C ATOM 1572 OG SER A 98 8.023 13.791 -1.085 1.00 0.00 O ATOM 0 H SER A 98 5.018 16.497 -0.419 1.00 0.00 H new ATOM 0 HA SER A 98 6.212 13.965 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.659 15.102 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.926 15.847 -0.951 1.00 0.00 H new ATOM 0 HG SER A 98 8.597 13.826 -1.878 1.00 0.00 H new ATOM 1578 N GLY A 99 7.182 17.090 1.053 1.00 0.00 N ATOM 1579 CA GLY A 99 7.768 17.992 2.032 1.00 0.00 C ATOM 1580 C GLY A 99 9.271 18.152 1.799 1.00 0.00 C ATOM 1581 O GLY A 99 10.034 17.205 1.979 1.00 0.00 O ATOM 0 H GLY A 99 6.974 17.517 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.281 18.965 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.591 17.609 3.037 1.00 0.00 H new ATOM 1585 N TYR A 100 9.651 19.357 1.401 1.00 0.00 N ATOM 1586 CA TYR A 100 11.050 19.653 1.141 1.00 0.00 C ATOM 1587 C TYR A 100 11.745 20.162 2.405 1.00 0.00 C ATOM 1588 O TYR A 100 11.157 20.910 3.184 1.00 0.00 O ATOM 1589 CB TYR A 100 11.058 20.762 0.087 1.00 0.00 C ATOM 1590 CG TYR A 100 11.782 22.035 0.529 1.00 0.00 C ATOM 1591 CD1 TYR A 100 13.111 21.981 0.894 1.00 0.00 C ATOM 1592 CD2 TYR A 100 11.105 23.237 0.563 1.00 0.00 C ATOM 1593 CE1 TYR A 100 13.793 23.180 1.309 1.00 0.00 C ATOM 1594 CE2 TYR A 100 11.786 24.436 0.979 1.00 0.00 C ATOM 1595 CZ TYR A 100 13.096 24.347 1.331 1.00 0.00 C ATOM 1596 OH TYR A 100 13.739 25.480 1.724 1.00 0.00 O ATOM 0 H TYR A 100 9.015 20.140 1.252 1.00 0.00 H new ATOM 0 HA TYR A 100 11.577 18.758 0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 100 11.530 20.384 -0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 100 10.029 21.012 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 100 13.640 21.040 0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 100 10.064 23.279 0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 100 14.834 23.153 1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 100 11.268 25.383 1.011 1.00 0.00 H new ATOM 0 HH TYR A 100 13.118 26.237 1.690 1.00 0.00 H new TER 1606 TYR A 100