USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 10 GLN :FLIP amide:sc= -3! X(o=-3.1,f=-3.1!) USER MOD Set 2.2: A 84 HIS :FLIP no HD1:sc= -0.0808 F(o=-3.6,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= -0.0998 (180deg=-0.979) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 9 SER OG : rot 37:sc= 0.0351 USER MOD Single : A 16 THR OG1 : rot 160:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0788 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 126:sc= -5.4! USER MOD Single : A 43 LYS NZ :NH3+ -114:sc= -2.86! (180deg=-5.11!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.6) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -112:sc= -1.56 (180deg=-4.82!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.582) USER MOD Single : A 80 THR OG1 : rot 14:sc= 0.918 USER MOD Single : A 83 GLN : amide:sc= -1.84! C(o=-1.8!,f=-6!) USER MOD Single : A 89 ASN : amide:sc= 0.147 K(o=0.15,f=-1.3) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.211 -17.817 1.983 1.00 0.00 N ATOM 2 CA MET A 1 10.051 -17.261 1.238 1.00 0.00 C ATOM 3 C MET A 1 10.514 -16.282 0.163 1.00 0.00 C ATOM 4 O MET A 1 11.703 -15.985 0.054 1.00 0.00 O ATOM 5 CB MET A 1 9.121 -16.565 2.233 1.00 0.00 C ATOM 6 CG MET A 1 9.802 -15.478 3.048 1.00 0.00 C ATOM 7 SD MET A 1 9.444 -15.607 4.811 1.00 0.00 S ATOM 8 CE MET A 1 9.675 -13.909 5.329 1.00 0.00 C ATOM 0 H1 MET A 1 11.014 -17.788 3.004 1.00 0.00 H new ATOM 0 H2 MET A 1 11.372 -18.802 1.690 1.00 0.00 H new ATOM 0 H3 MET A 1 12.059 -17.251 1.777 1.00 0.00 H new ATOM 0 HA MET A 1 9.519 -18.070 0.737 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.283 -16.128 1.689 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.707 -17.310 2.912 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.880 -15.535 2.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.480 -14.502 2.686 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.489 -13.827 6.400 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.698 -13.599 5.114 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.980 -13.266 4.789 1.00 0.00 H new ATOM 18 N LEU A 2 9.572 -15.789 -0.636 1.00 0.00 N ATOM 19 CA LEU A 2 9.901 -14.853 -1.706 1.00 0.00 C ATOM 20 C LEU A 2 9.071 -13.578 -1.612 1.00 0.00 C ATOM 21 O LEU A 2 7.843 -13.616 -1.685 1.00 0.00 O ATOM 22 CB LEU A 2 9.680 -15.512 -3.068 1.00 0.00 C ATOM 23 CG LEU A 2 10.194 -16.947 -3.186 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.299 -17.760 -4.108 1.00 0.00 C ATOM 25 CD2 LEU A 2 11.631 -16.956 -3.689 1.00 0.00 C ATOM 0 H LEU A 2 8.581 -16.020 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 2 10.951 -14.582 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.612 -15.506 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.166 -14.905 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 2 10.172 -17.405 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.680 -18.779 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.286 -17.779 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.289 -17.306 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.983 -17.985 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.676 -16.481 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.264 -16.409 -2.991 1.00 0.00 H new ATOM 37 N THR A 3 9.753 -12.447 -1.463 1.00 0.00 N ATOM 38 CA THR A 3 9.080 -11.157 -1.375 1.00 0.00 C ATOM 39 C THR A 3 8.752 -10.628 -2.766 1.00 0.00 C ATOM 40 O THR A 3 9.569 -10.716 -3.683 1.00 0.00 O ATOM 41 CB THR A 3 9.943 -10.116 -0.637 1.00 0.00 C ATOM 42 OG1 THR A 3 11.020 -10.738 0.076 1.00 0.00 O ATOM 43 CG2 THR A 3 9.104 -9.323 0.352 1.00 0.00 C ATOM 0 H THR A 3 10.770 -12.398 -1.401 1.00 0.00 H new ATOM 0 HA THR A 3 8.160 -11.314 -0.812 1.00 0.00 H new ATOM 0 HB THR A 3 10.352 -9.449 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.550 -10.051 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.734 -8.594 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.307 -8.804 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.668 -10.001 1.086 1.00 0.00 H new ATOM 51 N PRO A 4 7.546 -10.073 -2.941 1.00 0.00 N ATOM 52 CA PRO A 4 7.106 -9.530 -4.227 1.00 0.00 C ATOM 53 C PRO A 4 7.762 -8.191 -4.545 1.00 0.00 C ATOM 54 O PRO A 4 8.090 -7.419 -3.643 1.00 0.00 O ATOM 55 CB PRO A 4 5.600 -9.361 -4.038 1.00 0.00 C ATOM 56 CG PRO A 4 5.426 -9.147 -2.573 1.00 0.00 C ATOM 57 CD PRO A 4 6.516 -9.934 -1.895 1.00 0.00 C ATOM 0 HA PRO A 4 7.374 -10.179 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.221 -8.514 -4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.057 -10.243 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.499 -8.088 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.443 -9.484 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.902 -9.412 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.157 -10.905 -1.555 1.00 0.00 H new ATOM 65 N ALA A 5 7.955 -7.921 -5.832 1.00 0.00 N ATOM 66 CA ALA A 5 8.575 -6.677 -6.267 1.00 0.00 C ATOM 67 C ALA A 5 7.575 -5.525 -6.236 1.00 0.00 C ATOM 68 O ALA A 5 7.309 -4.895 -7.259 1.00 0.00 O ATOM 69 CB ALA A 5 9.166 -6.822 -7.661 1.00 0.00 C ATOM 0 H ALA A 5 7.690 -8.548 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 5 9.382 -6.450 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.623 -5.879 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.923 -7.607 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.377 -7.084 -8.365 1.00 0.00 H new ATOM 75 N PHE A 6 7.030 -5.253 -5.057 1.00 0.00 N ATOM 76 CA PHE A 6 6.065 -4.176 -4.892 1.00 0.00 C ATOM 77 C PHE A 6 6.742 -2.818 -5.048 1.00 0.00 C ATOM 78 O PHE A 6 7.969 -2.722 -5.026 1.00 0.00 O ATOM 79 CB PHE A 6 5.400 -4.277 -3.520 1.00 0.00 C ATOM 80 CG PHE A 6 6.287 -3.841 -2.389 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.420 -2.498 -2.074 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.989 -4.773 -1.641 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.235 -2.093 -1.034 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.806 -4.374 -0.601 1.00 0.00 C ATOM 85 CZ PHE A 6 7.930 -3.032 -0.296 1.00 0.00 C ATOM 0 H PHE A 6 7.241 -5.765 -4.200 1.00 0.00 H new ATOM 0 HA PHE A 6 5.303 -4.271 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.496 -3.668 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.090 -5.308 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.880 -1.759 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.896 -5.823 -1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.329 -1.043 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.348 -5.111 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.568 -2.718 0.517 1.00 0.00 H new ATOM 95 N ASP A 7 5.939 -1.772 -5.206 1.00 0.00 N ATOM 96 CA ASP A 7 6.469 -0.424 -5.364 1.00 0.00 C ATOM 97 C ASP A 7 5.472 0.615 -4.869 1.00 0.00 C ATOM 98 O ASP A 7 4.266 0.363 -4.819 1.00 0.00 O ATOM 99 CB ASP A 7 6.818 -0.157 -6.830 1.00 0.00 C ATOM 100 CG ASP A 7 8.312 -0.194 -7.082 1.00 0.00 C ATOM 101 OD1 ASP A 7 9.064 0.418 -6.294 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.732 -0.837 -8.068 1.00 0.00 O ATOM 0 H ASP A 7 4.921 -1.832 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 7 7.375 -0.346 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.327 -0.900 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.427 0.817 -7.123 1.00 0.00 H new ATOM 107 N LEU A 8 5.982 1.784 -4.497 1.00 0.00 N ATOM 108 CA LEU A 8 5.136 2.859 -4.002 1.00 0.00 C ATOM 109 C LEU A 8 5.187 4.072 -4.923 1.00 0.00 C ATOM 110 O LEU A 8 6.260 4.510 -5.338 1.00 0.00 O ATOM 111 CB LEU A 8 5.560 3.260 -2.587 1.00 0.00 C ATOM 112 CG LEU A 8 6.155 2.131 -1.744 1.00 0.00 C ATOM 113 CD1 LEU A 8 7.070 2.693 -0.667 1.00 0.00 C ATOM 114 CD2 LEU A 8 5.050 1.293 -1.120 1.00 0.00 C ATOM 0 H LEU A 8 6.976 2.009 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 8 4.110 2.492 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.292 4.064 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.692 3.664 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 8 6.747 1.490 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.484 1.875 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.882 3.251 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.501 3.357 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.492 0.494 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.432 1.924 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.433 0.859 -1.907 1.00 0.00 H new ATOM 126 N SER A 9 4.015 4.614 -5.220 1.00 0.00 N ATOM 127 CA SER A 9 3.894 5.787 -6.074 1.00 0.00 C ATOM 128 C SER A 9 2.846 6.723 -5.493 1.00 0.00 C ATOM 129 O SER A 9 1.753 6.288 -5.132 1.00 0.00 O ATOM 130 CB SER A 9 3.510 5.377 -7.497 1.00 0.00 C ATOM 131 OG SER A 9 2.387 4.513 -7.491 1.00 0.00 O ATOM 0 H SER A 9 3.124 4.255 -4.877 1.00 0.00 H new ATOM 0 HA SER A 9 4.855 6.300 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.287 6.266 -8.087 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.353 4.880 -7.976 1.00 0.00 H new ATOM 0 HG SER A 9 1.767 4.787 -6.783 1.00 0.00 H new ATOM 137 N GLN A 10 3.181 8.002 -5.370 1.00 0.00 N ATOM 138 CA GLN A 10 2.245 8.957 -4.793 1.00 0.00 C ATOM 139 C GLN A 10 2.104 10.224 -5.631 1.00 0.00 C ATOM 140 O GLN A 10 3.071 10.729 -6.200 1.00 0.00 O ATOM 141 CB GLN A 10 2.679 9.310 -3.365 1.00 0.00 C ATOM 142 CG GLN A 10 3.518 10.577 -3.260 1.00 0.00 C ATOM 143 CD GLN A 10 2.747 11.737 -2.662 1.00 0.00 C ATOM 144 OE1 GLN A 10 2.024 11.471 -1.580 1.00 0.00 O flip ATOM 145 NE2 GLN A 10 2.800 12.859 -3.165 1.00 0.00 N flip ATOM 0 H GLN A 10 4.077 8.396 -5.656 1.00 0.00 H new ATOM 0 HA GLN A 10 1.265 8.481 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.790 9.425 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.248 8.476 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.398 10.376 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.875 10.855 -4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.368 13.019 -3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.275 13.629 -2.750 1.00 0.00 H new ATOM 154 N ASP A 11 0.880 10.734 -5.669 1.00 0.00 N ATOM 155 CA ASP A 11 0.557 11.952 -6.392 1.00 0.00 C ATOM 156 C ASP A 11 0.364 13.098 -5.404 1.00 0.00 C ATOM 157 O ASP A 11 0.146 12.870 -4.214 1.00 0.00 O ATOM 158 CB ASP A 11 -0.708 11.755 -7.226 1.00 0.00 C ATOM 159 CG ASP A 11 -0.406 11.220 -8.612 1.00 0.00 C ATOM 160 OD1 ASP A 11 -0.104 12.034 -9.509 1.00 0.00 O ATOM 161 OD2 ASP A 11 -0.469 9.986 -8.799 1.00 0.00 O ATOM 0 H ASP A 11 0.081 10.311 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 11 1.379 12.195 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.377 11.065 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.235 12.705 -7.313 1.00 0.00 H new ATOM 166 N PRO A 12 0.453 14.346 -5.880 1.00 0.00 N ATOM 167 CA PRO A 12 0.299 15.532 -5.027 1.00 0.00 C ATOM 168 C PRO A 12 -1.088 15.648 -4.392 1.00 0.00 C ATOM 169 O PRO A 12 -1.332 16.551 -3.590 1.00 0.00 O ATOM 170 CB PRO A 12 0.546 16.702 -5.987 1.00 0.00 C ATOM 171 CG PRO A 12 0.311 16.144 -7.350 1.00 0.00 C ATOM 172 CD PRO A 12 0.717 14.700 -7.282 1.00 0.00 C ATOM 0 HA PRO A 12 0.984 15.498 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.130 17.532 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.562 17.085 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.736 16.242 -7.636 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.897 16.679 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.136 14.085 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.767 14.564 -7.542 1.00 0.00 H new ATOM 180 N ASP A 13 -1.991 14.734 -4.735 1.00 0.00 N ATOM 181 CA ASP A 13 -3.339 14.747 -4.172 1.00 0.00 C ATOM 182 C ASP A 13 -3.777 13.347 -3.755 1.00 0.00 C ATOM 183 O ASP A 13 -4.942 13.135 -3.416 1.00 0.00 O ATOM 184 CB ASP A 13 -4.331 15.313 -5.185 1.00 0.00 C ATOM 185 CG ASP A 13 -4.024 16.750 -5.558 1.00 0.00 C ATOM 186 OD1 ASP A 13 -2.838 17.061 -5.791 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.971 17.563 -5.620 1.00 0.00 O ATOM 0 H ASP A 13 -1.816 13.978 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.323 15.382 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.318 14.697 -6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.339 15.255 -4.773 1.00 0.00 H new ATOM 192 N PHE A 14 -2.835 12.405 -3.768 1.00 0.00 N ATOM 193 CA PHE A 14 -3.119 11.020 -3.388 1.00 0.00 C ATOM 194 C PHE A 14 -1.838 10.207 -3.264 1.00 0.00 C ATOM 195 O PHE A 14 -0.765 10.648 -3.664 1.00 0.00 O ATOM 196 CB PHE A 14 -4.014 10.330 -4.431 1.00 0.00 C ATOM 197 CG PHE A 14 -5.265 11.078 -4.787 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.249 12.063 -5.763 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.460 10.792 -4.149 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.402 12.748 -6.092 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.617 11.474 -4.474 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.587 12.454 -5.446 1.00 0.00 C ATOM 0 H PHE A 14 -1.866 12.575 -4.038 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.629 11.061 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.432 10.172 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.292 9.345 -4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.325 12.297 -6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.488 10.026 -3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.377 13.513 -6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.543 11.241 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.489 12.990 -5.701 1.00 0.00 H new ATOM 212 N LEU A 15 -1.975 9.001 -2.729 1.00 0.00 N ATOM 213 CA LEU A 15 -0.855 8.082 -2.576 1.00 0.00 C ATOM 214 C LEU A 15 -1.294 6.697 -3.018 1.00 0.00 C ATOM 215 O LEU A 15 -2.134 6.075 -2.366 1.00 0.00 O ATOM 216 CB LEU A 15 -0.369 8.037 -1.123 1.00 0.00 C ATOM 217 CG LEU A 15 0.648 6.937 -0.805 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.041 5.738 -0.175 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.405 6.522 -2.060 1.00 0.00 C ATOM 0 H LEU A 15 -2.864 8.633 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.026 8.429 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.075 9.001 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.234 7.908 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 15 1.368 7.335 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.698 4.967 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.531 6.044 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.785 5.342 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.122 5.740 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.701 6.146 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.935 7.383 -2.467 1.00 0.00 H new ATOM 231 N THR A 16 -0.753 6.213 -4.131 1.00 0.00 N ATOM 232 CA THR A 16 -1.132 4.906 -4.638 1.00 0.00 C ATOM 233 C THR A 16 -0.068 3.861 -4.339 1.00 0.00 C ATOM 234 O THR A 16 1.126 4.097 -4.525 1.00 0.00 O ATOM 235 CB THR A 16 -1.377 4.944 -6.158 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.266 6.010 -6.518 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.974 3.632 -6.643 1.00 0.00 C ATOM 0 H THR A 16 -0.057 6.704 -4.693 1.00 0.00 H new ATOM 0 HA THR A 16 -2.056 4.632 -4.129 1.00 0.00 H new ATOM 0 HB THR A 16 -0.409 5.107 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.158 6.219 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.138 3.683 -7.719 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.288 2.815 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.924 3.456 -6.139 1.00 0.00 H new ATOM 245 N ILE A 17 -0.517 2.702 -3.886 1.00 0.00 N ATOM 246 CA ILE A 17 0.377 1.602 -3.570 1.00 0.00 C ATOM 247 C ILE A 17 0.233 0.502 -4.614 1.00 0.00 C ATOM 248 O ILE A 17 -0.828 0.354 -5.222 1.00 0.00 O ATOM 249 CB ILE A 17 0.084 1.044 -2.165 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.011 2.193 -1.151 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.147 0.032 -1.762 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.681 1.824 0.142 1.00 0.00 C ATOM 0 H ILE A 17 -1.504 2.499 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 17 1.401 1.974 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.879 0.533 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.022 2.532 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.513 3.033 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.925 -0.352 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.154 -0.792 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.124 0.514 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.693 2.687 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.704 1.514 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.145 1.005 0.621 1.00 0.00 H new ATOM 264 N ALA A 18 1.298 -0.264 -4.831 1.00 0.00 N ATOM 265 CA ALA A 18 1.262 -1.335 -5.818 1.00 0.00 C ATOM 266 C ALA A 18 1.906 -2.610 -5.292 1.00 0.00 C ATOM 267 O ALA A 18 3.099 -2.641 -4.991 1.00 0.00 O ATOM 268 CB ALA A 18 1.934 -0.904 -7.113 1.00 0.00 C ATOM 0 H ALA A 18 2.187 -0.164 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 18 0.212 -1.548 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.894 -1.721 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.416 -0.036 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.974 -0.646 -6.915 1.00 0.00 H new ATOM 274 N ILE A 19 1.104 -3.661 -5.190 1.00 0.00 N ATOM 275 CA ILE A 19 1.578 -4.951 -4.710 1.00 0.00 C ATOM 276 C ILE A 19 1.380 -6.025 -5.773 1.00 0.00 C ATOM 277 O ILE A 19 0.273 -6.210 -6.278 1.00 0.00 O ATOM 278 CB ILE A 19 0.835 -5.372 -3.429 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.751 -4.197 -2.454 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.524 -6.563 -2.782 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.053 -4.500 -1.209 1.00 0.00 C ATOM 0 H ILE A 19 0.114 -3.644 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 19 2.640 -4.847 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.179 -5.670 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.760 -3.904 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.306 -3.343 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.986 -6.848 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.532 -7.401 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.549 -6.295 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.070 -3.622 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.073 -4.763 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.403 -5.334 -0.675 1.00 0.00 H new ATOM 293 N ARG A 20 2.454 -6.729 -6.117 1.00 0.00 N ATOM 294 CA ARG A 20 2.375 -7.776 -7.128 1.00 0.00 C ATOM 295 C ARG A 20 2.403 -9.159 -6.487 1.00 0.00 C ATOM 296 O ARG A 20 3.369 -9.527 -5.817 1.00 0.00 O ATOM 297 CB ARG A 20 3.531 -7.634 -8.121 1.00 0.00 C ATOM 298 CG ARG A 20 3.572 -8.727 -9.176 1.00 0.00 C ATOM 299 CD ARG A 20 4.959 -9.337 -9.291 1.00 0.00 C ATOM 300 NE ARG A 20 4.907 -10.748 -9.662 1.00 0.00 N ATOM 301 CZ ARG A 20 4.644 -11.725 -8.801 1.00 0.00 C ATOM 302 NH1 ARG A 20 4.415 -11.445 -7.526 1.00 0.00 N ATOM 303 NH2 ARG A 20 4.611 -12.986 -9.213 1.00 0.00 N ATOM 0 H ARG A 20 3.381 -6.595 -5.714 1.00 0.00 H new ATOM 0 HA ARG A 20 1.430 -7.666 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.455 -6.666 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.472 -7.637 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.851 -9.505 -8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.273 -8.315 -10.140 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.536 -8.788 -10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.482 -9.231 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 20 5.082 -10.997 -10.635 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.440 -10.478 -7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.213 -12.197 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.788 -13.207 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.409 -13.734 -8.550 1.00 0.00 H new ATOM 317 N VAL A 21 1.331 -9.920 -6.689 1.00 0.00 N ATOM 318 CA VAL A 21 1.230 -11.257 -6.118 1.00 0.00 C ATOM 319 C VAL A 21 0.278 -12.150 -6.909 1.00 0.00 C ATOM 320 O VAL A 21 -0.873 -11.790 -7.153 1.00 0.00 O ATOM 321 CB VAL A 21 0.752 -11.202 -4.656 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.684 -10.343 -3.818 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.675 -10.680 -4.583 1.00 0.00 C ATOM 0 H VAL A 21 0.523 -9.634 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 21 2.232 -11.683 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 21 0.768 -12.213 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.328 -10.318 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.689 -10.764 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.705 -9.330 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.998 -10.647 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.718 -9.677 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.334 -11.341 -5.146 1.00 0.00 H new ATOM 333 N SER A 22 0.769 -13.326 -7.288 1.00 0.00 N ATOM 334 CA SER A 22 -0.029 -14.293 -8.030 1.00 0.00 C ATOM 335 C SER A 22 -0.350 -15.491 -7.143 1.00 0.00 C ATOM 336 O SER A 22 -1.392 -16.130 -7.286 1.00 0.00 O ATOM 337 CB SER A 22 0.723 -14.754 -9.279 1.00 0.00 C ATOM 338 OG SER A 22 2.063 -14.292 -9.266 1.00 0.00 O ATOM 0 H SER A 22 1.722 -13.632 -7.091 1.00 0.00 H new ATOM 0 HA SER A 22 -0.960 -13.817 -8.338 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.711 -15.843 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.216 -14.384 -10.170 1.00 0.00 H new ATOM 0 HG SER A 22 2.523 -14.601 -10.074 1.00 0.00 H new ATOM 344 N TYR A 23 0.561 -15.777 -6.217 1.00 0.00 N ATOM 345 CA TYR A 23 0.401 -16.884 -5.282 1.00 0.00 C ATOM 346 C TYR A 23 -0.738 -16.614 -4.304 1.00 0.00 C ATOM 347 O TYR A 23 -1.135 -17.503 -3.550 1.00 0.00 O ATOM 348 CB TYR A 23 1.703 -17.120 -4.514 1.00 0.00 C ATOM 349 CG TYR A 23 2.785 -17.774 -5.344 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.073 -17.321 -6.626 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.518 -18.842 -4.846 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.063 -17.916 -7.387 1.00 0.00 C ATOM 353 CE2 TYR A 23 4.509 -19.443 -5.601 1.00 0.00 C ATOM 354 CZ TYR A 23 4.777 -18.976 -6.870 1.00 0.00 C ATOM 355 OH TYR A 23 5.762 -19.570 -7.624 1.00 0.00 O ATOM 0 H TYR A 23 1.426 -15.251 -6.095 1.00 0.00 H new ATOM 0 HA TYR A 23 0.156 -17.778 -5.856 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.072 -16.165 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.495 -17.745 -3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.515 -16.491 -7.034 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.311 -19.210 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.276 -17.552 -8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.070 -20.274 -5.198 1.00 0.00 H new ATOM 0 HH TYR A 23 6.169 -20.301 -7.113 1.00 0.00 H new ATOM 365 N ALA A 24 -1.250 -15.381 -4.324 1.00 0.00 N ATOM 366 CA ALA A 24 -2.345 -14.971 -3.443 1.00 0.00 C ATOM 367 C ALA A 24 -3.192 -16.171 -3.026 1.00 0.00 C ATOM 368 O ALA A 24 -4.040 -16.643 -3.784 1.00 0.00 O ATOM 369 CB ALA A 24 -3.217 -13.921 -4.115 1.00 0.00 C ATOM 0 H ALA A 24 -0.920 -14.644 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.903 -14.534 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.024 -13.632 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.613 -13.046 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.640 -14.332 -5.032 1.00 0.00 H new ATOM 375 N ARG A 25 -2.937 -16.672 -1.822 1.00 0.00 N ATOM 376 CA ARG A 25 -3.652 -17.832 -1.302 1.00 0.00 C ATOM 377 C ARG A 25 -4.899 -17.424 -0.527 1.00 0.00 C ATOM 378 O ARG A 25 -5.454 -18.217 0.234 1.00 0.00 O ATOM 379 CB ARG A 25 -2.730 -18.652 -0.400 1.00 0.00 C ATOM 380 CG ARG A 25 -2.637 -20.115 -0.794 1.00 0.00 C ATOM 381 CD ARG A 25 -2.506 -21.008 0.429 1.00 0.00 C ATOM 382 NE ARG A 25 -2.472 -22.424 0.074 1.00 0.00 N ATOM 383 CZ ARG A 25 -2.143 -23.387 0.930 1.00 0.00 C ATOM 384 NH1 ARG A 25 -1.816 -23.085 2.180 1.00 0.00 N ATOM 385 NH2 ARG A 25 -2.141 -24.652 0.537 1.00 0.00 N ATOM 0 H ARG A 25 -2.237 -16.291 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.967 -18.436 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.732 -18.215 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.086 -18.583 0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.524 -20.398 -1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.779 -20.264 -1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.597 -20.749 0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.342 -20.824 1.103 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.713 -22.688 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.817 -22.112 2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.564 -23.826 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.392 -24.888 -0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.888 -25.390 1.194 1.00 0.00 H new ATOM 399 N VAL A 26 -5.341 -16.188 -0.722 1.00 0.00 N ATOM 400 CA VAL A 26 -6.527 -15.694 -0.035 1.00 0.00 C ATOM 401 C VAL A 26 -7.553 -15.162 -1.026 1.00 0.00 C ATOM 402 O VAL A 26 -7.230 -14.360 -1.902 1.00 0.00 O ATOM 403 CB VAL A 26 -6.178 -14.588 0.977 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.648 -15.196 2.267 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.168 -13.616 0.384 1.00 0.00 C ATOM 0 H VAL A 26 -4.899 -15.513 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.953 -16.540 0.505 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.087 -14.033 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.406 -14.400 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.407 -15.847 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.751 -15.777 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.935 -12.842 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.257 -14.153 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.588 -13.155 -0.510 1.00 0.00 H new ATOM 415 N SER A 27 -8.795 -15.609 -0.878 1.00 0.00 N ATOM 416 CA SER A 27 -9.869 -15.173 -1.759 1.00 0.00 C ATOM 417 C SER A 27 -9.991 -13.655 -1.735 1.00 0.00 C ATOM 418 O SER A 27 -10.289 -13.029 -2.752 1.00 0.00 O ATOM 419 CB SER A 27 -11.196 -15.809 -1.338 1.00 0.00 C ATOM 420 OG SER A 27 -11.260 -17.167 -1.737 1.00 0.00 O ATOM 0 H SER A 27 -9.081 -16.272 -0.157 1.00 0.00 H new ATOM 0 HA SER A 27 -9.632 -15.492 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.309 -15.739 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.024 -15.257 -1.782 1.00 0.00 H new ATOM 0 HG SER A 27 -12.116 -17.551 -1.455 1.00 0.00 H new ATOM 426 N GLU A 28 -9.757 -13.071 -0.565 1.00 0.00 N ATOM 427 CA GLU A 28 -9.840 -11.627 -0.400 1.00 0.00 C ATOM 428 C GLU A 28 -8.658 -11.106 0.410 1.00 0.00 C ATOM 429 O GLU A 28 -8.147 -11.796 1.294 1.00 0.00 O ATOM 430 CB GLU A 28 -11.146 -11.255 0.297 1.00 0.00 C ATOM 431 CG GLU A 28 -11.158 -11.591 1.779 1.00 0.00 C ATOM 432 CD GLU A 28 -12.559 -11.635 2.358 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.492 -11.139 1.693 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.722 -12.166 3.477 1.00 0.00 O ATOM 0 H GLU A 28 -9.508 -13.578 0.284 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.814 -11.168 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.323 -10.187 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.970 -11.774 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.675 -12.556 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.569 -10.851 2.320 1.00 0.00 H new ATOM 441 N PHE A 29 -8.229 -9.884 0.111 1.00 0.00 N ATOM 442 CA PHE A 29 -7.111 -9.275 0.819 1.00 0.00 C ATOM 443 C PHE A 29 -7.613 -8.281 1.861 1.00 0.00 C ATOM 444 O PHE A 29 -8.752 -7.818 1.792 1.00 0.00 O ATOM 445 CB PHE A 29 -6.171 -8.578 -0.166 1.00 0.00 C ATOM 446 CG PHE A 29 -6.200 -9.174 -1.545 1.00 0.00 C ATOM 447 CD1 PHE A 29 -6.394 -10.535 -1.718 1.00 0.00 C ATOM 448 CD2 PHE A 29 -6.037 -8.375 -2.664 1.00 0.00 C ATOM 449 CE1 PHE A 29 -6.423 -11.088 -2.984 1.00 0.00 C ATOM 450 CE2 PHE A 29 -6.066 -8.923 -3.933 1.00 0.00 C ATOM 451 CZ PHE A 29 -6.259 -10.281 -4.093 1.00 0.00 C ATOM 0 H PHE A 29 -8.639 -9.297 -0.616 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.559 -10.064 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.440 -7.524 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.153 -8.625 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.524 -11.170 -0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.886 -7.312 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.574 -12.150 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.938 -8.290 -4.798 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.282 -10.711 -5.083 1.00 0.00 H new ATOM 461 N ASP A 30 -6.758 -7.956 2.823 1.00 0.00 N ATOM 462 CA ASP A 30 -7.117 -7.018 3.879 1.00 0.00 C ATOM 463 C ASP A 30 -6.294 -5.739 3.772 1.00 0.00 C ATOM 464 O ASP A 30 -5.067 -5.769 3.859 1.00 0.00 O ATOM 465 CB ASP A 30 -6.909 -7.659 5.253 1.00 0.00 C ATOM 466 CG ASP A 30 -7.303 -9.123 5.272 1.00 0.00 C ATOM 467 OD1 ASP A 30 -7.935 -9.581 4.297 1.00 0.00 O ATOM 468 OD2 ASP A 30 -6.981 -9.812 6.263 1.00 0.00 O ATOM 0 H ASP A 30 -5.811 -8.328 2.894 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.170 -6.763 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.862 -7.563 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.495 -7.118 5.996 1.00 0.00 H new ATOM 473 N VAL A 31 -6.979 -4.616 3.584 1.00 0.00 N ATOM 474 CA VAL A 31 -6.310 -3.326 3.464 1.00 0.00 C ATOM 475 C VAL A 31 -6.745 -2.377 4.577 1.00 0.00 C ATOM 476 O VAL A 31 -7.908 -1.978 4.646 1.00 0.00 O ATOM 477 CB VAL A 31 -6.599 -2.667 2.103 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.619 -1.533 1.842 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.542 -3.700 0.988 1.00 0.00 C ATOM 0 H VAL A 31 -7.996 -4.573 3.512 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.240 -3.516 3.547 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.605 -2.248 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.838 -1.078 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.714 -0.782 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.602 -1.925 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.749 -3.217 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.550 -4.150 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.287 -4.475 1.171 1.00 0.00 H new ATOM 489 N TYR A 32 -5.804 -2.017 5.440 1.00 0.00 N ATOM 490 CA TYR A 32 -6.088 -1.112 6.549 1.00 0.00 C ATOM 491 C TYR A 32 -5.134 0.078 6.536 1.00 0.00 C ATOM 492 O TYR A 32 -3.919 -0.091 6.627 1.00 0.00 O ATOM 493 CB TYR A 32 -5.978 -1.851 7.884 1.00 0.00 C ATOM 494 CG TYR A 32 -6.874 -3.063 7.983 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.208 -2.937 8.348 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.385 -4.336 7.715 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.030 -4.043 8.442 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.202 -5.448 7.806 1.00 0.00 C ATOM 499 CZ TYR A 32 -8.522 -5.297 8.170 1.00 0.00 C ATOM 500 OH TYR A 32 -9.338 -6.400 8.262 1.00 0.00 O ATOM 0 H TYR A 32 -4.837 -2.337 5.394 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.107 -0.743 6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.944 -2.162 8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.223 -1.162 8.692 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.610 -1.958 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.350 -4.459 7.431 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.065 -3.927 8.727 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.807 -6.430 7.593 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.826 -7.205 8.037 1.00 0.00 H new ATOM 510 N PHE A 33 -5.691 1.280 6.427 1.00 0.00 N ATOM 511 CA PHE A 33 -4.883 2.492 6.410 1.00 0.00 C ATOM 512 C PHE A 33 -5.311 3.444 7.523 1.00 0.00 C ATOM 513 O PHE A 33 -6.456 3.893 7.563 1.00 0.00 O ATOM 514 CB PHE A 33 -4.987 3.187 5.051 1.00 0.00 C ATOM 515 CG PHE A 33 -6.393 3.539 4.660 1.00 0.00 C ATOM 516 CD1 PHE A 33 -6.986 4.698 5.133 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.119 2.714 3.817 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.279 5.027 4.774 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.413 3.038 3.454 1.00 0.00 C ATOM 520 CZ PHE A 33 -8.993 4.195 3.933 1.00 0.00 C ATOM 0 H PHE A 33 -6.695 1.440 6.349 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.844 2.209 6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.386 4.096 5.071 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.558 2.538 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.431 5.352 5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.669 1.808 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.731 5.933 5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.969 2.386 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.004 4.450 3.651 1.00 0.00 H new ATOM 530 N GLU A 34 -4.383 3.741 8.430 1.00 0.00 N ATOM 531 CA GLU A 34 -4.664 4.633 9.550 1.00 0.00 C ATOM 532 C GLU A 34 -3.504 5.594 9.797 1.00 0.00 C ATOM 533 O GLU A 34 -2.412 5.181 10.185 1.00 0.00 O ATOM 534 CB GLU A 34 -4.938 3.816 10.814 1.00 0.00 C ATOM 535 CG GLU A 34 -3.932 2.701 11.044 1.00 0.00 C ATOM 536 CD GLU A 34 -4.546 1.488 11.716 1.00 0.00 C ATOM 537 OE1 GLU A 34 -5.515 1.661 12.484 1.00 0.00 O ATOM 538 OE2 GLU A 34 -4.058 0.364 11.473 1.00 0.00 O ATOM 0 H GLU A 34 -3.431 3.377 8.410 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.546 5.221 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.933 4.483 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.937 3.386 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.502 2.403 10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.114 3.076 11.659 1.00 0.00 H new ATOM 545 N GLY A 35 -3.756 6.881 9.575 1.00 0.00 N ATOM 546 CA GLY A 35 -2.733 7.893 9.783 1.00 0.00 C ATOM 547 C GLY A 35 -1.355 7.453 9.323 1.00 0.00 C ATOM 548 O GLY A 35 -0.504 7.097 10.138 1.00 0.00 O ATOM 0 H GLY A 35 -4.654 7.243 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.015 8.800 9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.692 8.146 10.842 1.00 0.00 H new ATOM 552 N SER A 36 -1.133 7.493 8.013 1.00 0.00 N ATOM 553 CA SER A 36 0.152 7.110 7.434 1.00 0.00 C ATOM 554 C SER A 36 0.511 5.661 7.753 1.00 0.00 C ATOM 555 O SER A 36 1.636 5.229 7.509 1.00 0.00 O ATOM 556 CB SER A 36 1.259 8.043 7.931 1.00 0.00 C ATOM 557 OG SER A 36 1.875 8.725 6.853 1.00 0.00 O ATOM 0 H SER A 36 -1.829 7.788 7.329 1.00 0.00 H new ATOM 0 HA SER A 36 0.061 7.200 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.842 8.766 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.007 7.467 8.475 1.00 0.00 H new ATOM 0 HG SER A 36 1.847 9.691 7.018 1.00 0.00 H new ATOM 563 N ASP A 37 -0.445 4.907 8.285 1.00 0.00 N ATOM 564 CA ASP A 37 -0.202 3.506 8.610 1.00 0.00 C ATOM 565 C ASP A 37 -0.941 2.605 7.628 1.00 0.00 C ATOM 566 O ASP A 37 -2.155 2.442 7.714 1.00 0.00 O ATOM 567 CB ASP A 37 -0.646 3.200 10.042 1.00 0.00 C ATOM 568 CG ASP A 37 0.206 2.128 10.694 1.00 0.00 C ATOM 569 OD1 ASP A 37 1.448 2.241 10.637 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.370 1.175 11.260 1.00 0.00 O ATOM 0 H ASP A 37 -1.386 5.238 8.499 1.00 0.00 H new ATOM 0 HA ASP A 37 0.868 3.314 8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.597 4.112 10.638 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.688 2.879 10.036 1.00 0.00 H new ATOM 575 N PHE A 38 -0.198 2.039 6.686 1.00 0.00 N ATOM 576 CA PHE A 38 -0.784 1.170 5.672 1.00 0.00 C ATOM 577 C PHE A 38 -0.407 -0.291 5.894 1.00 0.00 C ATOM 578 O PHE A 38 0.771 -0.647 5.903 1.00 0.00 O ATOM 579 CB PHE A 38 -0.344 1.618 4.277 1.00 0.00 C ATOM 580 CG PHE A 38 -0.861 0.743 3.172 1.00 0.00 C ATOM 581 CD1 PHE A 38 -2.124 0.947 2.643 1.00 0.00 C ATOM 582 CD2 PHE A 38 -0.082 -0.284 2.661 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.604 0.145 1.625 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.555 -1.090 1.643 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.818 -0.875 1.123 1.00 0.00 C ATOM 0 H PHE A 38 0.811 2.165 6.602 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.868 1.250 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.684 2.640 4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.745 1.634 4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.742 1.743 3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.905 -0.456 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.592 0.315 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.061 -1.887 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.189 -1.503 0.326 1.00 0.00 H new ATOM 595 N LYS A 39 -1.422 -1.133 6.064 1.00 0.00 N ATOM 596 CA LYS A 39 -1.210 -2.559 6.276 1.00 0.00 C ATOM 597 C LYS A 39 -1.903 -3.374 5.188 1.00 0.00 C ATOM 598 O LYS A 39 -3.058 -3.118 4.849 1.00 0.00 O ATOM 599 CB LYS A 39 -1.738 -2.982 7.649 1.00 0.00 C ATOM 600 CG LYS A 39 -1.343 -2.041 8.775 1.00 0.00 C ATOM 601 CD LYS A 39 -2.197 -2.269 10.012 1.00 0.00 C ATOM 602 CE LYS A 39 -1.377 -2.838 11.159 1.00 0.00 C ATOM 603 NZ LYS A 39 -2.242 -3.417 12.224 1.00 0.00 N ATOM 0 H LYS A 39 -2.402 -0.850 6.059 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.138 -2.750 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.825 -3.046 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.369 -3.982 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.292 -2.189 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.449 -1.008 8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.651 -1.327 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.012 -2.952 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.705 -3.607 10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.753 -2.052 11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.646 -3.795 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.866 -2.677 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.819 -4.184 11.824 1.00 0.00 H new ATOM 617 N PHE A 40 -1.193 -4.359 4.651 1.00 0.00 N ATOM 618 CA PHE A 40 -1.745 -5.216 3.607 1.00 0.00 C ATOM 619 C PHE A 40 -1.545 -6.683 3.959 1.00 0.00 C ATOM 620 O PHE A 40 -0.416 -7.174 3.983 1.00 0.00 O ATOM 621 CB PHE A 40 -1.081 -4.920 2.264 1.00 0.00 C ATOM 622 CG PHE A 40 -1.374 -5.960 1.219 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.560 -5.928 0.503 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.465 -6.975 0.957 1.00 0.00 C ATOM 625 CE1 PHE A 40 -2.835 -6.887 -0.454 1.00 0.00 C ATOM 626 CE2 PHE A 40 -0.735 -7.936 0.002 1.00 0.00 C ATOM 627 CZ PHE A 40 -1.921 -7.892 -0.705 1.00 0.00 C ATOM 0 H PHE A 40 -0.235 -4.584 4.920 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.813 -5.009 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.419 -3.948 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.003 -4.850 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.278 -5.144 0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.464 -7.014 1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.763 -6.851 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.019 -8.721 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.133 -8.642 -1.453 1.00 0.00 H new ATOM 637 N TYR A 41 -2.638 -7.380 4.243 1.00 0.00 N ATOM 638 CA TYR A 41 -2.560 -8.788 4.607 1.00 0.00 C ATOM 639 C TYR A 41 -3.087 -9.691 3.497 1.00 0.00 C ATOM 640 O TYR A 41 -4.293 -9.788 3.275 1.00 0.00 O ATOM 641 CB TYR A 41 -3.338 -9.045 5.897 1.00 0.00 C ATOM 642 CG TYR A 41 -2.815 -8.269 7.082 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.712 -8.718 7.797 1.00 0.00 C ATOM 644 CD2 TYR A 41 -3.422 -7.086 7.486 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.228 -8.011 8.880 1.00 0.00 C ATOM 646 CE2 TYR A 41 -2.945 -6.374 8.569 1.00 0.00 C ATOM 647 CZ TYR A 41 -1.848 -6.839 9.262 1.00 0.00 C ATOM 648 OH TYR A 41 -1.370 -6.132 10.341 1.00 0.00 O ATOM 0 H TYR A 41 -3.583 -6.996 4.228 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.508 -9.027 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.385 -8.787 5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.303 -10.110 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.225 -9.635 7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.281 -6.717 6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.369 -8.373 9.425 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.429 -5.457 8.871 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.404 -6.273 10.423 1.00 0.00 H new ATOM 658 N ALA A 42 -2.166 -10.373 2.830 1.00 0.00 N ATOM 659 CA ALA A 42 -2.507 -11.305 1.764 1.00 0.00 C ATOM 660 C ALA A 42 -1.744 -12.598 1.995 1.00 0.00 C ATOM 661 O ALA A 42 -0.532 -12.648 1.791 1.00 0.00 O ATOM 662 CB ALA A 42 -2.181 -10.728 0.395 1.00 0.00 C ATOM 0 H ALA A 42 -1.165 -10.296 3.012 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.580 -11.495 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.448 -11.450 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.747 -9.809 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.114 -10.512 0.336 1.00 0.00 H new ATOM 668 N LYS A 43 -2.442 -13.640 2.435 1.00 0.00 N ATOM 669 CA LYS A 43 -1.781 -14.907 2.706 1.00 0.00 C ATOM 670 C LYS A 43 -0.514 -14.628 3.525 1.00 0.00 C ATOM 671 O LYS A 43 -0.279 -13.483 3.909 1.00 0.00 O ATOM 672 CB LYS A 43 -1.471 -15.616 1.377 1.00 0.00 C ATOM 673 CG LYS A 43 -0.037 -15.462 0.889 1.00 0.00 C ATOM 674 CD LYS A 43 0.309 -16.528 -0.137 1.00 0.00 C ATOM 675 CE LYS A 43 1.351 -16.032 -1.122 1.00 0.00 C ATOM 676 NZ LYS A 43 0.779 -15.046 -2.081 1.00 0.00 N ATOM 0 H LYS A 43 -3.447 -13.632 2.608 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.423 -15.570 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.690 -16.678 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.144 -15.231 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.097 -14.473 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.648 -15.531 1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.681 -17.417 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.592 -16.823 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.177 -15.573 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.763 -16.878 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.790 -15.448 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.200 -14.825 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.347 -14.175 -2.064 1.00 0.00 H new ATOM 690 N PRO A 44 0.318 -15.641 3.833 1.00 0.00 N ATOM 691 CA PRO A 44 1.532 -15.433 4.614 1.00 0.00 C ATOM 692 C PRO A 44 2.178 -14.066 4.347 1.00 0.00 C ATOM 693 O PRO A 44 2.827 -13.496 5.222 1.00 0.00 O ATOM 694 CB PRO A 44 2.449 -16.561 4.140 1.00 0.00 C ATOM 695 CG PRO A 44 1.553 -17.620 3.564 1.00 0.00 C ATOM 696 CD PRO A 44 0.154 -17.057 3.474 1.00 0.00 C ATOM 0 HA PRO A 44 1.334 -15.444 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.155 -16.200 3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.037 -16.958 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.906 -17.921 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.565 -18.511 4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.258 -17.170 2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.526 -17.566 4.157 1.00 0.00 H new ATOM 704 N TYR A 45 1.995 -13.551 3.133 1.00 0.00 N ATOM 705 CA TYR A 45 2.558 -12.255 2.750 1.00 0.00 C ATOM 706 C TYR A 45 1.925 -11.105 3.535 1.00 0.00 C ATOM 707 O TYR A 45 0.706 -10.933 3.525 1.00 0.00 O ATOM 708 CB TYR A 45 2.351 -12.001 1.255 1.00 0.00 C ATOM 709 CG TYR A 45 3.026 -13.013 0.354 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.980 -13.893 0.853 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.709 -13.088 -0.999 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.598 -14.816 0.031 1.00 0.00 C ATOM 713 CE2 TYR A 45 3.324 -14.009 -1.826 1.00 0.00 C ATOM 714 CZ TYR A 45 4.267 -14.870 -1.306 1.00 0.00 C ATOM 715 OH TYR A 45 4.881 -15.789 -2.127 1.00 0.00 O ATOM 0 H TYR A 45 1.461 -14.011 2.396 1.00 0.00 H new ATOM 0 HA TYR A 45 3.623 -12.292 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.282 -11.999 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.726 -11.007 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.242 -13.854 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.970 -12.416 -1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.337 -15.492 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.067 -14.054 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 45 4.534 -15.696 -3.039 1.00 0.00 H new ATOM 725 N PHE A 46 2.763 -10.302 4.190 1.00 0.00 N ATOM 726 CA PHE A 46 2.283 -9.147 4.949 1.00 0.00 C ATOM 727 C PHE A 46 3.056 -7.895 4.548 1.00 0.00 C ATOM 728 O PHE A 46 4.287 -7.896 4.529 1.00 0.00 O ATOM 729 CB PHE A 46 2.415 -9.373 6.459 1.00 0.00 C ATOM 730 CG PHE A 46 2.889 -10.744 6.845 1.00 0.00 C ATOM 731 CD1 PHE A 46 4.162 -11.174 6.512 1.00 0.00 C ATOM 732 CD2 PHE A 46 2.060 -11.597 7.558 1.00 0.00 C ATOM 733 CE1 PHE A 46 4.601 -12.433 6.880 1.00 0.00 C ATOM 734 CE2 PHE A 46 2.494 -12.854 7.931 1.00 0.00 C ATOM 735 CZ PHE A 46 3.765 -13.273 7.591 1.00 0.00 C ATOM 0 H PHE A 46 3.775 -10.429 4.211 1.00 0.00 H new ATOM 0 HA PHE A 46 1.227 -9.014 4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.108 -8.636 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.447 -9.192 6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.819 -10.519 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.064 -11.275 7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.595 -12.759 6.612 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.840 -13.509 8.488 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.105 -14.256 7.880 1.00 0.00 H new ATOM 745 N LEU A 47 2.332 -6.831 4.210 1.00 0.00 N ATOM 746 CA LEU A 47 2.969 -5.584 3.794 1.00 0.00 C ATOM 747 C LEU A 47 2.636 -4.423 4.730 1.00 0.00 C ATOM 748 O LEU A 47 1.500 -3.953 4.776 1.00 0.00 O ATOM 749 CB LEU A 47 2.549 -5.231 2.368 1.00 0.00 C ATOM 750 CG LEU A 47 3.548 -5.628 1.282 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.176 -4.988 -0.046 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.961 -5.235 1.687 1.00 0.00 C ATOM 0 H LEU A 47 1.312 -6.806 4.216 1.00 0.00 H new ATOM 0 HA LEU A 47 4.047 -5.743 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.595 -5.714 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.382 -4.155 2.311 1.00 0.00 H new ATOM 0 HG LEU A 47 3.513 -6.711 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.899 -5.282 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.181 -5.319 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.181 -3.903 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.659 -5.526 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.010 -4.156 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.228 -5.741 2.615 1.00 0.00 H new ATOM 764 N ARG A 48 3.645 -3.955 5.460 1.00 0.00 N ATOM 765 CA ARG A 48 3.479 -2.834 6.382 1.00 0.00 C ATOM 766 C ARG A 48 4.329 -1.650 5.930 1.00 0.00 C ATOM 767 O ARG A 48 5.559 -1.718 5.943 1.00 0.00 O ATOM 768 CB ARG A 48 3.872 -3.245 7.803 1.00 0.00 C ATOM 769 CG ARG A 48 3.980 -2.074 8.768 1.00 0.00 C ATOM 770 CD ARG A 48 5.138 -2.260 9.735 1.00 0.00 C ATOM 771 NE ARG A 48 4.683 -2.676 11.058 1.00 0.00 N ATOM 772 CZ ARG A 48 4.402 -3.934 11.375 1.00 0.00 C ATOM 773 NH1 ARG A 48 4.540 -4.894 10.470 1.00 0.00 N ATOM 774 NH2 ARG A 48 3.985 -4.237 12.596 1.00 0.00 N ATOM 0 H ARG A 48 4.591 -4.337 5.431 1.00 0.00 H new ATOM 0 HA ARG A 48 2.429 -2.540 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.136 -3.952 8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.828 -3.767 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.117 -1.149 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.049 -1.973 9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.827 -3.006 9.337 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.694 -1.326 9.820 1.00 0.00 H new ATOM 0 HE ARG A 48 4.575 -1.961 11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.862 -4.666 9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.324 -5.860 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.879 -3.502 13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.770 -5.205 12.836 1.00 0.00 H new ATOM 788 N LEU A 49 3.672 -0.570 5.517 1.00 0.00 N ATOM 789 CA LEU A 49 4.377 0.618 5.049 1.00 0.00 C ATOM 790 C LEU A 49 3.959 1.860 5.830 1.00 0.00 C ATOM 791 O LEU A 49 2.772 2.162 5.949 1.00 0.00 O ATOM 792 CB LEU A 49 4.115 0.826 3.557 1.00 0.00 C ATOM 793 CG LEU A 49 4.089 -0.455 2.724 1.00 0.00 C ATOM 794 CD1 LEU A 49 3.233 -0.267 1.481 1.00 0.00 C ATOM 795 CD2 LEU A 49 5.503 -0.871 2.347 1.00 0.00 C ATOM 0 H LEU A 49 2.655 -0.493 5.497 1.00 0.00 H new ATOM 0 HA LEU A 49 5.443 0.462 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.160 1.339 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.884 1.487 3.157 1.00 0.00 H new ATOM 0 HG LEU A 49 3.646 -1.250 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.227 -1.190 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.214 -0.017 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.644 0.540 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.468 -1.785 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.972 -0.078 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.084 -1.048 3.252 1.00 0.00 H new ATOM 807 N THR A 50 4.947 2.580 6.354 1.00 0.00 N ATOM 808 CA THR A 50 4.690 3.793 7.119 1.00 0.00 C ATOM 809 C THR A 50 4.867 5.035 6.252 1.00 0.00 C ATOM 810 O THR A 50 5.982 5.372 5.853 1.00 0.00 O ATOM 811 CB THR A 50 5.627 3.900 8.338 1.00 0.00 C ATOM 812 OG1 THR A 50 6.324 2.670 8.571 1.00 0.00 O ATOM 813 CG2 THR A 50 4.845 4.258 9.593 1.00 0.00 C ATOM 0 H THR A 50 5.935 2.342 6.262 1.00 0.00 H new ATOM 0 HA THR A 50 3.658 3.734 7.466 1.00 0.00 H new ATOM 0 HB THR A 50 6.348 4.686 8.115 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.912 2.769 9.349 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.528 4.328 10.440 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.346 5.216 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.100 3.487 9.790 1.00 0.00 H new ATOM 821 N LEU A 51 3.761 5.710 5.962 1.00 0.00 N ATOM 822 CA LEU A 51 3.791 6.913 5.141 1.00 0.00 C ATOM 823 C LEU A 51 4.253 8.119 5.956 1.00 0.00 C ATOM 824 O LEU A 51 4.115 8.144 7.179 1.00 0.00 O ATOM 825 CB LEU A 51 2.408 7.174 4.541 1.00 0.00 C ATOM 826 CG LEU A 51 1.897 6.079 3.603 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.587 6.494 2.955 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.940 5.758 2.545 1.00 0.00 C ATOM 0 H LEU A 51 2.831 5.443 6.284 1.00 0.00 H new ATOM 0 HA LEU A 51 4.505 6.759 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.693 7.299 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.437 8.116 3.994 1.00 0.00 H new ATOM 0 HG LEU A 51 1.714 5.180 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.242 5.701 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.161 6.672 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.739 7.407 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.561 4.977 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.154 6.653 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.854 5.413 3.028 1.00 0.00 H new ATOM 840 N PRO A 52 4.812 9.135 5.281 1.00 0.00 N ATOM 841 CA PRO A 52 5.305 10.345 5.926 1.00 0.00 C ATOM 842 C PRO A 52 4.214 11.394 6.118 1.00 0.00 C ATOM 843 O PRO A 52 4.365 12.319 6.916 1.00 0.00 O ATOM 844 CB PRO A 52 6.374 10.861 4.954 1.00 0.00 C ATOM 845 CG PRO A 52 6.214 10.084 3.679 1.00 0.00 C ATOM 846 CD PRO A 52 5.017 9.182 3.834 1.00 0.00 C ATOM 0 HA PRO A 52 5.681 10.141 6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.249 11.929 4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.372 10.722 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.076 10.760 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.110 9.498 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.144 9.581 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.205 8.190 3.423 1.00 0.00 H new ATOM 854 N GLY A 53 3.116 11.251 5.382 1.00 0.00 N ATOM 855 CA GLY A 53 2.026 12.202 5.494 1.00 0.00 C ATOM 856 C GLY A 53 0.778 11.596 6.103 1.00 0.00 C ATOM 857 O GLY A 53 0.861 10.794 7.031 1.00 0.00 O ATOM 0 H GLY A 53 2.962 10.497 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.348 13.047 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.789 12.594 4.505 1.00 0.00 H new ATOM 861 N ARG A 54 -0.383 11.987 5.590 1.00 0.00 N ATOM 862 CA ARG A 54 -1.650 11.478 6.103 1.00 0.00 C ATOM 863 C ARG A 54 -2.650 11.237 4.979 1.00 0.00 C ATOM 864 O ARG A 54 -2.852 12.097 4.122 1.00 0.00 O ATOM 865 CB ARG A 54 -2.247 12.459 7.111 1.00 0.00 C ATOM 866 CG ARG A 54 -1.629 12.366 8.494 1.00 0.00 C ATOM 867 CD ARG A 54 -0.814 13.606 8.821 1.00 0.00 C ATOM 868 NE ARG A 54 -0.362 13.612 10.207 1.00 0.00 N ATOM 869 CZ ARG A 54 -0.019 14.715 10.863 1.00 0.00 C ATOM 870 NH1 ARG A 54 -0.083 15.894 10.262 1.00 0.00 N ATOM 871 NH2 ARG A 54 0.389 14.638 12.123 1.00 0.00 N ATOM 0 H ARG A 54 -0.474 12.652 4.822 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.446 10.526 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.122 13.474 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.319 12.278 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.415 12.239 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.991 11.484 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.049 13.658 8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.415 14.495 8.632 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.306 12.721 10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.396 15.956 9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.181 16.739 10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.439 13.732 12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.652 15.485 12.626 1.00 0.00 H new ATOM 885 N ILE A 55 -3.284 10.072 5.001 1.00 0.00 N ATOM 886 CA ILE A 55 -4.279 9.730 3.995 1.00 0.00 C ATOM 887 C ILE A 55 -5.665 9.691 4.623 1.00 0.00 C ATOM 888 O ILE A 55 -5.889 8.976 5.600 1.00 0.00 O ATOM 889 CB ILE A 55 -3.969 8.355 3.365 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.691 8.429 2.528 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.135 7.866 2.516 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.818 9.307 1.302 1.00 0.00 C ATOM 0 H ILE A 55 -3.127 9.349 5.704 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.250 10.492 3.217 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.817 7.639 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.880 8.805 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.412 7.422 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.889 6.896 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.024 7.771 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.327 8.581 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.873 9.311 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.606 8.919 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.066 10.324 1.607 1.00 0.00 H new ATOM 904 N VAL A 56 -6.587 10.481 4.084 1.00 0.00 N ATOM 905 CA VAL A 56 -7.940 10.542 4.629 1.00 0.00 C ATOM 906 C VAL A 56 -8.644 9.194 4.551 1.00 0.00 C ATOM 907 O VAL A 56 -8.287 8.336 3.745 1.00 0.00 O ATOM 908 CB VAL A 56 -8.793 11.607 3.915 1.00 0.00 C ATOM 909 CG1 VAL A 56 -9.082 11.189 2.484 1.00 0.00 C ATOM 910 CG2 VAL A 56 -10.084 11.855 4.679 1.00 0.00 C ATOM 0 H VAL A 56 -6.426 11.084 3.277 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.834 10.820 5.678 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.230 12.540 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.686 11.954 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.143 11.068 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.625 10.244 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.674 12.610 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.654 10.928 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.850 12.205 5.685 1.00 0.00 H new ATOM 920 N GLU A 57 -9.648 9.022 5.404 1.00 0.00 N ATOM 921 CA GLU A 57 -10.413 7.783 5.454 1.00 0.00 C ATOM 922 C GLU A 57 -11.899 8.049 5.243 1.00 0.00 C ATOM 923 O GLU A 57 -12.476 8.944 5.862 1.00 0.00 O ATOM 924 CB GLU A 57 -10.194 7.088 6.796 1.00 0.00 C ATOM 925 CG GLU A 57 -10.982 7.712 7.936 1.00 0.00 C ATOM 926 CD GLU A 57 -10.243 7.650 9.258 1.00 0.00 C ATOM 927 OE1 GLU A 57 -9.371 6.769 9.410 1.00 0.00 O ATOM 928 OE2 GLU A 57 -10.536 8.484 10.141 1.00 0.00 O ATOM 0 H GLU A 57 -9.952 9.729 6.073 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.064 7.134 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.474 6.039 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.132 7.114 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.201 8.752 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.939 7.199 8.035 1.00 0.00 H new ATOM 935 N ASN A 58 -12.513 7.265 4.366 1.00 0.00 N ATOM 936 CA ASN A 58 -13.934 7.412 4.069 1.00 0.00 C ATOM 937 C ASN A 58 -14.469 6.191 3.324 1.00 0.00 C ATOM 938 O ASN A 58 -15.616 5.788 3.518 1.00 0.00 O ATOM 939 CB ASN A 58 -14.172 8.676 3.239 1.00 0.00 C ATOM 940 CG ASN A 58 -14.297 9.918 4.100 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.240 10.056 4.878 1.00 0.00 O ATOM 942 ND2 ASN A 58 -13.340 10.829 3.965 1.00 0.00 N ATOM 0 H ASN A 58 -12.049 6.520 3.847 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.469 7.497 5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.349 8.806 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.080 8.554 2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.369 11.685 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.576 10.673 3.307 1.00 0.00 H new ATOM 949 N GLY A 59 -13.633 5.610 2.469 1.00 0.00 N ATOM 950 CA GLY A 59 -14.041 4.447 1.705 1.00 0.00 C ATOM 951 C GLY A 59 -14.151 4.744 0.223 1.00 0.00 C ATOM 952 O GLY A 59 -14.500 3.871 -0.570 1.00 0.00 O ATOM 0 H GLY A 59 -12.679 5.925 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.322 3.642 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.003 4.091 2.075 1.00 0.00 H new ATOM 956 N SER A 60 -13.848 5.984 -0.150 1.00 0.00 N ATOM 957 CA SER A 60 -13.909 6.400 -1.545 1.00 0.00 C ATOM 958 C SER A 60 -12.670 5.933 -2.300 1.00 0.00 C ATOM 959 O SER A 60 -12.741 5.005 -3.105 1.00 0.00 O ATOM 960 CB SER A 60 -14.033 7.922 -1.638 1.00 0.00 C ATOM 961 OG SER A 60 -14.986 8.298 -2.616 1.00 0.00 O ATOM 0 H SER A 60 -13.558 6.718 0.496 1.00 0.00 H new ATOM 0 HA SER A 60 -14.787 5.943 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.324 8.326 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.064 8.354 -1.886 1.00 0.00 H new ATOM 0 HG SER A 60 -15.047 9.275 -2.654 1.00 0.00 H new ATOM 967 N GLU A 61 -11.537 6.576 -2.011 1.00 0.00 N ATOM 968 CA GLU A 61 -10.259 6.237 -2.640 1.00 0.00 C ATOM 969 C GLU A 61 -10.467 5.604 -4.017 1.00 0.00 C ATOM 970 O GLU A 61 -11.399 5.961 -4.737 1.00 0.00 O ATOM 971 CB GLU A 61 -9.469 5.292 -1.733 1.00 0.00 C ATOM 972 CG GLU A 61 -9.779 5.473 -0.255 1.00 0.00 C ATOM 973 CD GLU A 61 -10.504 4.282 0.339 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.858 3.360 -0.425 1.00 0.00 O ATOM 975 OE2 GLU A 61 -10.720 4.271 1.570 1.00 0.00 O ATOM 0 H GLU A 61 -11.479 7.341 -1.339 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.693 7.158 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.684 4.262 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.403 5.451 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.849 5.636 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.388 6.367 -0.122 1.00 0.00 H new ATOM 982 N GLN A 62 -9.597 4.662 -4.380 1.00 0.00 N ATOM 983 CA GLN A 62 -9.698 3.985 -5.668 1.00 0.00 C ATOM 984 C GLN A 62 -8.898 2.686 -5.646 1.00 0.00 C ATOM 985 O GLN A 62 -7.756 2.661 -5.194 1.00 0.00 O ATOM 986 CB GLN A 62 -9.193 4.894 -6.789 1.00 0.00 C ATOM 987 CG GLN A 62 -10.244 5.863 -7.305 1.00 0.00 C ATOM 988 CD GLN A 62 -9.882 6.451 -8.655 1.00 0.00 C ATOM 989 OE1 GLN A 62 -10.365 5.998 -9.692 1.00 0.00 O ATOM 990 NE2 GLN A 62 -9.026 7.467 -8.647 1.00 0.00 N ATOM 0 H GLN A 62 -8.817 4.352 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.746 3.750 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.335 5.460 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.842 4.277 -7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.201 5.348 -7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.374 6.670 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.650 7.810 -7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.745 7.904 -9.525 1.00 0.00 H new ATOM 999 N GLY A 63 -9.503 1.605 -6.127 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.817 0.325 -6.133 1.00 0.00 C ATOM 1001 C GLY A 63 -8.962 -0.420 -7.446 1.00 0.00 C ATOM 1002 O GLY A 63 -10.038 -0.443 -8.042 1.00 0.00 O ATOM 0 H GLY A 63 -10.448 1.591 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.759 0.486 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.208 -0.294 -5.325 1.00 0.00 H new ATOM 1006 N SER A 64 -7.871 -1.035 -7.892 1.00 0.00 N ATOM 1007 CA SER A 64 -7.870 -1.793 -9.136 1.00 0.00 C ATOM 1008 C SER A 64 -6.862 -2.934 -9.066 1.00 0.00 C ATOM 1009 O SER A 64 -5.655 -2.714 -9.159 1.00 0.00 O ATOM 1010 CB SER A 64 -7.539 -0.880 -10.317 1.00 0.00 C ATOM 1011 OG SER A 64 -7.594 0.485 -9.939 1.00 0.00 O ATOM 0 H SER A 64 -6.974 -1.022 -7.407 1.00 0.00 H new ATOM 0 HA SER A 64 -8.866 -2.212 -9.281 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.544 -1.116 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.241 -1.064 -11.130 1.00 0.00 H new ATOM 0 HG SER A 64 -7.377 1.047 -10.712 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.363 -4.152 -8.897 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.501 -5.325 -8.809 1.00 0.00 C ATOM 1019 C TYR A 65 -6.607 -6.181 -10.066 1.00 0.00 C ATOM 1020 O TYR A 65 -7.701 -6.415 -10.579 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.866 -6.160 -7.582 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.340 -7.575 -7.640 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.974 -7.826 -7.694 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.207 -8.658 -7.645 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.489 -9.119 -7.751 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.730 -9.954 -7.702 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.370 -10.179 -7.755 1.00 0.00 C ATOM 1028 OH TYR A 65 -4.891 -11.467 -7.812 1.00 0.00 O ATOM 0 H TYR A 65 -8.360 -4.353 -8.818 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.472 -4.978 -8.715 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.475 -5.671 -6.690 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.951 -6.188 -7.480 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.281 -6.998 -7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.272 -8.486 -7.604 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.425 -9.298 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.418 -10.786 -7.705 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.642 -12.096 -7.805 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.463 -6.648 -10.552 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.425 -7.483 -11.744 1.00 0.00 C ATOM 1040 C ASP A 66 -4.805 -8.840 -11.434 1.00 0.00 C ATOM 1041 O ASP A 66 -3.635 -8.928 -11.059 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.636 -6.790 -12.855 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.310 -6.916 -14.207 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -6.559 -6.925 -14.249 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -4.590 -7.008 -15.223 1.00 0.00 O ATOM 0 H ASP A 66 -4.550 -6.462 -10.138 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.450 -7.639 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.517 -5.735 -12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.636 -7.220 -12.909 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.594 -9.896 -11.599 1.00 0.00 N ATOM 1051 CA ALA A 67 -5.121 -11.249 -11.342 1.00 0.00 C ATOM 1052 C ALA A 67 -4.237 -11.736 -12.486 1.00 0.00 C ATOM 1053 O ALA A 67 -3.181 -12.327 -12.260 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.284 -12.206 -11.125 1.00 0.00 C ATOM 0 H ALA A 67 -6.564 -9.840 -11.910 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.527 -11.227 -10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.900 -13.208 -10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.873 -11.875 -10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.914 -12.221 -12.015 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.677 -11.481 -13.713 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.929 -11.887 -14.893 1.00 0.00 C ATOM 1062 C ASP A 68 -2.495 -11.375 -14.825 1.00 0.00 C ATOM 1063 O ASP A 68 -1.546 -12.117 -15.075 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.614 -11.353 -16.151 1.00 0.00 C ATOM 1065 CG ASP A 68 -6.009 -11.915 -16.336 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -6.951 -11.385 -15.709 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -6.162 -12.885 -17.109 1.00 0.00 O ATOM 0 H ASP A 68 -5.550 -10.994 -13.915 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.905 -12.976 -14.930 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.668 -10.266 -16.097 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.008 -11.599 -17.023 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.345 -10.100 -14.481 1.00 0.00 N ATOM 1073 CA LYS A 69 -1.027 -9.487 -14.377 1.00 0.00 C ATOM 1074 C LYS A 69 -0.487 -9.595 -12.956 1.00 0.00 C ATOM 1075 O LYS A 69 0.707 -9.410 -12.720 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.091 -8.018 -14.799 1.00 0.00 C ATOM 1077 CG LYS A 69 0.266 -7.333 -14.830 1.00 0.00 C ATOM 1078 CD LYS A 69 0.199 -5.990 -15.540 1.00 0.00 C ATOM 1079 CE LYS A 69 -0.842 -5.076 -14.912 1.00 0.00 C ATOM 1080 NZ LYS A 69 -0.217 -3.950 -14.167 1.00 0.00 N ATOM 0 H LYS A 69 -3.120 -9.472 -14.270 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.352 -10.022 -15.045 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.544 -7.952 -15.788 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.745 -7.480 -14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.625 -7.189 -13.811 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.987 -7.976 -15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.176 -5.509 -15.503 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.040 -6.145 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.493 -4.679 -15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.471 -5.654 -14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.393 -4.067 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.808 -3.944 -14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.629 -3.050 -14.488 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.372 -9.891 -12.009 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.958 -10.011 -10.624 1.00 0.00 C ATOM 1096 C GLY A 70 -0.413 -8.706 -10.078 1.00 0.00 C ATOM 1097 O GLY A 70 0.761 -8.617 -9.719 1.00 0.00 O ATOM 0 H GLY A 70 -2.366 -10.049 -12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.806 -10.331 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.196 -10.786 -10.539 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.268 -7.690 -10.023 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.866 -6.381 -9.527 1.00 0.00 C ATOM 1103 C ILE A 71 -2.042 -5.632 -8.909 1.00 0.00 C ATOM 1104 O ILE A 71 -3.044 -5.373 -9.576 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.261 -5.522 -10.653 1.00 0.00 C ATOM 1106 CG1 ILE A 71 0.987 -6.199 -11.224 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.069 -4.129 -10.135 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.943 -5.240 -11.901 1.00 0.00 C ATOM 0 H ILE A 71 -2.243 -7.749 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.112 -6.554 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.994 -5.424 -11.454 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.511 -6.713 -10.419 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.681 -6.960 -11.942 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.496 -3.533 -10.941 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.841 -3.651 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.789 -4.205 -9.320 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.803 -5.791 -12.281 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.436 -4.744 -12.728 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.279 -4.493 -11.182 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.910 -5.283 -7.634 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.959 -4.558 -6.925 1.00 0.00 C ATOM 1122 C PHE A 72 -2.575 -3.094 -6.743 1.00 0.00 C ATOM 1123 O PHE A 72 -1.658 -2.772 -5.987 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.221 -5.199 -5.560 1.00 0.00 C ATOM 1125 CG PHE A 72 -4.046 -4.342 -4.641 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -5.034 -3.514 -5.146 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.831 -4.367 -3.272 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.794 -2.725 -4.303 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.588 -3.580 -2.423 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.571 -2.759 -2.940 1.00 0.00 C ATOM 0 H PHE A 72 -1.086 -5.491 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.869 -4.609 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.728 -6.152 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.266 -5.417 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.213 -3.484 -6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.064 -5.008 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.561 -2.083 -4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.411 -3.607 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.165 -2.144 -2.280 1.00 0.00 H new ATOM 1140 N THR A 73 -3.281 -2.211 -7.440 1.00 0.00 N ATOM 1141 CA THR A 73 -3.015 -0.780 -7.354 1.00 0.00 C ATOM 1142 C THR A 73 -4.194 -0.047 -6.728 1.00 0.00 C ATOM 1143 O THR A 73 -5.299 -0.056 -7.271 1.00 0.00 O ATOM 1144 CB THR A 73 -2.727 -0.177 -8.741 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.731 -1.185 -9.759 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.375 0.519 -8.757 1.00 0.00 C ATOM 0 H THR A 73 -4.042 -2.461 -8.071 1.00 0.00 H new ATOM 0 HA THR A 73 -2.133 -0.656 -6.725 1.00 0.00 H new ATOM 0 HB THR A 73 -3.518 0.545 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.547 -0.772 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.193 0.937 -9.747 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.369 1.320 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.592 -0.201 -8.518 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.959 0.581 -5.581 1.00 0.00 N ATOM 1155 CA ILE A 74 -5.015 1.308 -4.888 1.00 0.00 C ATOM 1156 C ILE A 74 -4.582 2.725 -4.529 1.00 0.00 C ATOM 1157 O ILE A 74 -3.624 2.922 -3.780 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.444 0.582 -3.597 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.661 1.272 -2.979 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.291 0.542 -2.604 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.971 0.576 -3.278 1.00 0.00 C ATOM 0 H ILE A 74 -3.052 0.601 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.858 1.354 -5.577 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.718 -0.443 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.527 1.327 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.712 2.297 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.609 0.027 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.448 0.011 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.989 1.560 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.789 1.122 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.129 0.545 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.941 -0.441 -2.886 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.308 3.707 -5.052 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.016 5.105 -4.772 1.00 0.00 C ATOM 1175 C ARG A 75 -5.711 5.538 -3.492 1.00 0.00 C ATOM 1176 O ARG A 75 -6.823 5.095 -3.198 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.462 5.995 -5.933 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.292 5.353 -7.301 1.00 0.00 C ATOM 1179 CD ARG A 75 -4.988 6.390 -8.373 1.00 0.00 C ATOM 1180 NE ARG A 75 -5.236 7.753 -7.904 1.00 0.00 N ATOM 1181 CZ ARG A 75 -4.540 8.815 -8.304 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -3.566 8.683 -9.193 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -4.824 10.014 -7.813 1.00 0.00 N ATOM 0 H ARG A 75 -6.104 3.559 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.938 5.211 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.510 6.259 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.893 6.924 -5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.485 4.621 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.201 4.812 -7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.947 6.297 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.601 6.192 -9.253 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.987 7.899 -7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.346 7.763 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.037 9.501 -9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.574 10.121 -7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.292 10.829 -8.118 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.047 6.389 -2.723 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.602 6.859 -1.464 1.00 0.00 C ATOM 1199 C LEU A 76 -5.496 8.379 -1.334 1.00 0.00 C ATOM 1200 O LEU A 76 -4.411 8.949 -1.441 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.877 6.183 -0.303 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.892 4.653 -0.329 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.486 4.111 -0.533 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -5.493 4.106 0.958 1.00 0.00 C ATOM 0 H LEU A 76 -4.127 6.766 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.660 6.599 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.841 6.520 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.327 6.519 0.631 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.511 4.327 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.515 3.021 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.089 4.477 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.845 4.445 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.496 3.017 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.898 4.440 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.515 4.469 1.065 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.636 9.052 -1.095 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.684 10.512 -0.944 1.00 0.00 C ATOM 1218 C PRO A 77 -5.914 10.995 0.285 1.00 0.00 C ATOM 1219 O PRO A 77 -5.731 10.253 1.252 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.178 10.819 -0.800 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.809 9.533 -0.381 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.963 8.434 -0.957 1.00 0.00 C ATOM 0 HA PRO A 77 -6.218 11.019 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.349 11.600 -0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.598 11.175 -1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.854 9.459 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.833 9.466 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.934 7.565 -0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.348 8.094 -1.918 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.474 12.249 0.252 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.729 12.823 1.364 1.00 0.00 C ATOM 1232 C LYS A 78 -5.610 13.741 2.204 1.00 0.00 C ATOM 1233 O LYS A 78 -6.622 14.257 1.728 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.516 13.597 0.845 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.270 12.740 0.689 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.087 13.561 0.205 1.00 0.00 C ATOM 1237 CE LYS A 78 -1.366 14.193 -1.149 1.00 0.00 C ATOM 1238 NZ LYS A 78 -1.404 15.678 -1.069 1.00 0.00 N ATOM 0 H LYS A 78 -5.621 12.885 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.389 12.004 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.764 14.042 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.299 14.418 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.025 12.275 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.468 11.933 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.862 14.341 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.205 12.925 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.597 13.887 -1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.318 13.825 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.809 16.063 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.991 15.967 -0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.439 16.044 -0.944 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.214 13.943 3.455 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.959 14.804 4.365 1.00 0.00 C ATOM 1254 C GLU A 79 -5.554 16.266 4.182 1.00 0.00 C ATOM 1255 O GLU A 79 -6.065 17.152 4.867 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.719 14.365 5.813 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.877 15.481 6.833 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.756 14.986 8.262 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -6.698 14.319 8.741 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -4.719 15.263 8.900 1.00 0.00 O ATOM 0 H GLU A 79 -4.380 13.521 3.863 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.021 14.714 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.414 13.562 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.713 13.952 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.120 16.244 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.848 15.957 6.698 1.00 0.00 H new ATOM 1267 N THR A 80 -4.631 16.508 3.256 1.00 0.00 N ATOM 1268 CA THR A 80 -4.157 17.859 2.984 1.00 0.00 C ATOM 1269 C THR A 80 -3.488 17.936 1.616 1.00 0.00 C ATOM 1270 O THR A 80 -2.327 17.560 1.457 1.00 0.00 O ATOM 1271 CB THR A 80 -3.160 18.328 4.061 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.823 18.606 5.301 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.427 19.585 3.616 1.00 0.00 C ATOM 0 H THR A 80 -4.197 15.785 2.682 1.00 0.00 H new ATOM 0 HA THR A 80 -5.028 18.514 2.997 1.00 0.00 H new ATOM 0 HB THR A 80 -2.447 17.516 4.204 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.731 18.238 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.730 19.894 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.877 19.380 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.148 20.383 3.437 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.220 18.429 0.606 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.703 18.560 -0.760 1.00 0.00 C ATOM 1283 C PRO A 81 -2.378 19.314 -0.808 1.00 0.00 C ATOM 1284 O PRO A 81 -2.093 20.142 0.057 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.797 19.352 -1.481 1.00 0.00 C ATOM 1286 CG PRO A 81 -6.040 19.075 -0.709 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.612 18.896 0.722 1.00 0.00 C ATOM 0 HA PRO A 81 -3.494 17.590 -1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.569 20.418 -1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.897 19.034 -2.519 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.749 19.898 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.539 18.180 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.677 19.830 1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.238 18.170 1.241 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.574 19.029 -1.829 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.292 19.696 -1.973 1.00 0.00 C ATOM 1297 C GLY A 82 0.830 18.989 -1.235 1.00 0.00 C ATOM 1298 O GLY A 82 2.005 19.294 -1.447 1.00 0.00 O ATOM 0 H GLY A 82 -1.787 18.349 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.039 19.761 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.376 20.718 -1.602 1.00 0.00 H new ATOM 1302 N GLN A 83 0.475 18.048 -0.366 1.00 0.00 N ATOM 1303 CA GLN A 83 1.470 17.306 0.402 1.00 0.00 C ATOM 1304 C GLN A 83 2.064 16.168 -0.421 1.00 0.00 C ATOM 1305 O GLN A 83 1.364 15.519 -1.199 1.00 0.00 O ATOM 1306 CB GLN A 83 0.851 16.753 1.688 1.00 0.00 C ATOM 1307 CG GLN A 83 1.622 17.129 2.942 1.00 0.00 C ATOM 1308 CD GLN A 83 1.734 18.629 3.133 1.00 0.00 C ATOM 1309 OE1 GLN A 83 2.221 19.344 2.258 1.00 0.00 O ATOM 1310 NE2 GLN A 83 1.283 19.114 4.285 1.00 0.00 N ATOM 0 H GLN A 83 -0.491 17.781 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 83 2.272 17.996 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.172 17.119 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.795 15.667 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.130 16.692 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.622 16.698 2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.887 18.485 4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.333 20.116 4.471 1.00 0.00 H new ATOM 1319 N HIS A 84 3.361 15.934 -0.244 1.00 0.00 N ATOM 1320 CA HIS A 84 4.055 14.878 -0.970 1.00 0.00 C ATOM 1321 C HIS A 84 4.861 13.996 -0.022 1.00 0.00 C ATOM 1322 O HIS A 84 5.718 14.484 0.716 1.00 0.00 O ATOM 1323 CB HIS A 84 4.984 15.485 -2.023 1.00 0.00 C ATOM 1324 CG HIS A 84 5.690 14.464 -2.858 1.00 0.00 C ATOM 1325 ND1 HIS A 84 5.358 13.914 -4.049 1.00 0.00 N flip ATOM 1326 CD2 HIS A 84 6.889 13.888 -2.491 1.00 0.00 C flip ATOM 1327 CE1 HIS A 84 6.352 13.026 -4.377 1.00 0.00 C flip ATOM 1328 NE2 HIS A 84 7.264 13.028 -3.423 1.00 0.00 N flip ATOM 0 H HIS A 84 3.952 16.463 0.397 1.00 0.00 H new ATOM 0 HA HIS A 84 3.304 14.259 -1.461 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.403 16.137 -2.675 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.725 16.110 -1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.435 14.105 -1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.383 12.423 -5.272 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.113 12.463 -3.407 1.00 0.00 H new ATOM 1337 N PHE A 85 4.587 12.695 -0.049 1.00 0.00 N ATOM 1338 CA PHE A 85 5.290 11.748 0.802 1.00 0.00 C ATOM 1339 C PHE A 85 6.679 11.458 0.243 1.00 0.00 C ATOM 1340 O PHE A 85 6.846 10.579 -0.603 1.00 0.00 O ATOM 1341 CB PHE A 85 4.492 10.451 0.917 1.00 0.00 C ATOM 1342 CG PHE A 85 3.099 10.635 1.450 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.631 11.891 1.802 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.253 9.546 1.593 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.348 12.058 2.287 1.00 0.00 C ATOM 1346 CE2 PHE A 85 0.969 9.707 2.079 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.516 10.964 2.426 1.00 0.00 C ATOM 0 H PHE A 85 3.881 12.274 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 85 5.398 12.187 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.435 9.983 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.031 9.762 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.277 12.750 1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.601 8.560 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.996 13.043 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.321 8.850 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.487 11.092 2.805 1.00 0.00 H new ATOM 1357 N GLU A 86 7.668 12.210 0.709 1.00 0.00 N ATOM 1358 CA GLU A 86 9.041 12.043 0.245 1.00 0.00 C ATOM 1359 C GLU A 86 9.651 10.738 0.746 1.00 0.00 C ATOM 1360 O GLU A 86 9.068 10.036 1.570 1.00 0.00 O ATOM 1361 CB GLU A 86 9.899 13.223 0.704 1.00 0.00 C ATOM 1362 CG GLU A 86 10.429 14.071 -0.440 1.00 0.00 C ATOM 1363 CD GLU A 86 11.260 15.244 0.041 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.258 15.012 0.755 1.00 0.00 O ATOM 1365 OE2 GLU A 86 10.911 16.396 -0.294 1.00 0.00 O ATOM 0 H GLU A 86 7.546 12.942 1.408 1.00 0.00 H new ATOM 0 HA GLU A 86 9.018 12.008 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.309 13.853 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.740 12.845 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.034 13.448 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.592 14.442 -1.031 1.00 0.00 H new ATOM 1372 N GLY A 87 10.843 10.431 0.240 1.00 0.00 N ATOM 1373 CA GLY A 87 11.546 9.225 0.635 1.00 0.00 C ATOM 1374 C GLY A 87 10.626 8.044 0.885 1.00 0.00 C ATOM 1375 O GLY A 87 10.866 7.251 1.796 1.00 0.00 O ATOM 0 H GLY A 87 11.338 11.004 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.262 8.960 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.119 9.427 1.540 1.00 0.00 H new ATOM 1379 N LEU A 88 9.578 7.913 0.078 1.00 0.00 N ATOM 1380 CA LEU A 88 8.641 6.806 0.229 1.00 0.00 C ATOM 1381 C LEU A 88 9.369 5.476 0.099 1.00 0.00 C ATOM 1382 O LEU A 88 9.381 4.672 1.032 1.00 0.00 O ATOM 1383 CB LEU A 88 7.536 6.892 -0.817 1.00 0.00 C ATOM 1384 CG LEU A 88 6.323 7.733 -0.415 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.577 8.214 -1.648 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.396 6.934 0.489 1.00 0.00 C ATOM 0 H LEU A 88 9.357 8.556 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 88 8.193 6.872 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.957 7.305 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.197 5.882 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 88 6.676 8.604 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.717 8.811 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.242 8.822 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.236 7.355 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.539 7.548 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.051 6.045 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.934 6.636 1.389 1.00 0.00 H new ATOM 1398 N ASN A 89 9.975 5.241 -1.066 1.00 0.00 N ATOM 1399 CA ASN A 89 10.705 4.004 -1.320 1.00 0.00 C ATOM 1400 C ASN A 89 12.089 4.027 -0.676 1.00 0.00 C ATOM 1401 O ASN A 89 12.935 3.186 -0.977 1.00 0.00 O ATOM 1402 CB ASN A 89 10.845 3.778 -2.826 1.00 0.00 C ATOM 1403 CG ASN A 89 11.606 4.899 -3.508 1.00 0.00 C ATOM 1404 OD1 ASN A 89 11.071 5.987 -3.721 1.00 0.00 O ATOM 1405 ND2 ASN A 89 12.862 4.640 -3.851 1.00 0.00 N ATOM 0 H ASN A 89 9.973 5.895 -1.849 1.00 0.00 H new ATOM 0 HA ASN A 89 10.137 3.187 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.359 2.833 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.854 3.691 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.423 5.357 -4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.266 3.724 -3.655 1.00 0.00 H new ATOM 1412 N MET A 90 12.305 4.971 0.232 1.00 0.00 N ATOM 1413 CA MET A 90 13.570 5.075 0.939 1.00 0.00 C ATOM 1414 C MET A 90 13.340 4.802 2.417 1.00 0.00 C ATOM 1415 O MET A 90 14.196 4.245 3.104 1.00 0.00 O ATOM 1416 CB MET A 90 14.178 6.464 0.747 1.00 0.00 C ATOM 1417 CG MET A 90 14.863 6.651 -0.595 1.00 0.00 C ATOM 1418 SD MET A 90 16.427 7.537 -0.459 1.00 0.00 S ATOM 1419 CE MET A 90 17.595 6.193 -0.648 1.00 0.00 C ATOM 0 H MET A 90 11.617 5.676 0.495 1.00 0.00 H new ATOM 0 HA MET A 90 14.267 4.340 0.537 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.392 7.212 0.851 1.00 0.00 H new ATOM 0 HB3 MET A 90 14.900 6.648 1.542 1.00 0.00 H new ATOM 0 HG2 MET A 90 15.041 5.675 -1.047 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.198 7.196 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 90 18.611 6.583 -0.587 1.00 0.00 H new ATOM 0 HE2 MET A 90 17.439 5.461 0.144 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.447 5.716 -1.617 1.00 0.00 H new ATOM 1429 N LEU A 91 12.162 5.195 2.892 1.00 0.00 N ATOM 1430 CA LEU A 91 11.782 4.997 4.280 1.00 0.00 C ATOM 1431 C LEU A 91 12.080 3.567 4.720 1.00 0.00 C ATOM 1432 O LEU A 91 12.416 2.713 3.900 1.00 0.00 O ATOM 1433 CB LEU A 91 10.292 5.305 4.454 1.00 0.00 C ATOM 1434 CG LEU A 91 9.977 6.535 5.309 1.00 0.00 C ATOM 1435 CD1 LEU A 91 8.473 6.724 5.437 1.00 0.00 C ATOM 1436 CD2 LEU A 91 10.618 6.411 6.682 1.00 0.00 C ATOM 0 H LEU A 91 11.450 5.657 2.326 1.00 0.00 H new ATOM 0 HA LEU A 91 12.364 5.674 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.848 5.444 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 91 9.808 4.437 4.902 1.00 0.00 H new ATOM 0 HG LEU A 91 10.394 7.413 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.267 7.603 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.038 6.860 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.034 5.844 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.383 7.295 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.233 5.524 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.699 6.325 6.572 1.00 0.00 H new ATOM 1448 N THR A 92 11.957 3.313 6.017 1.00 0.00 N ATOM 1449 CA THR A 92 12.215 1.986 6.562 1.00 0.00 C ATOM 1450 C THR A 92 11.159 1.603 7.591 1.00 0.00 C ATOM 1451 O THR A 92 10.493 2.467 8.162 1.00 0.00 O ATOM 1452 CB THR A 92 13.607 1.910 7.217 1.00 0.00 C ATOM 1453 OG1 THR A 92 14.342 3.125 7.021 1.00 0.00 O ATOM 1454 CG2 THR A 92 14.417 0.760 6.641 1.00 0.00 C ATOM 0 H THR A 92 11.680 4.008 6.711 1.00 0.00 H new ATOM 0 HA THR A 92 12.177 1.286 5.727 1.00 0.00 H new ATOM 0 HB THR A 92 13.446 1.751 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.220 3.049 7.449 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.396 0.728 7.120 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.894 -0.179 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.543 0.905 5.568 1.00 0.00 H new ATOM 1462 N ALA A 93 11.012 0.304 7.829 1.00 0.00 N ATOM 1463 CA ALA A 93 10.039 -0.189 8.795 1.00 0.00 C ATOM 1464 C ALA A 93 10.701 -0.448 10.142 1.00 0.00 C ATOM 1465 O ALA A 93 11.835 -0.922 10.207 1.00 0.00 O ATOM 1466 CB ALA A 93 9.363 -1.454 8.285 1.00 0.00 C ATOM 0 H ALA A 93 11.554 -0.425 7.366 1.00 0.00 H new ATOM 0 HA ALA A 93 9.276 0.579 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.641 -1.803 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.849 -1.240 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.114 -2.226 8.118 1.00 0.00 H new ATOM 1472 N LEU A 94 9.990 -0.129 11.219 1.00 0.00 N ATOM 1473 CA LEU A 94 10.517 -0.324 12.565 1.00 0.00 C ATOM 1474 C LEU A 94 9.794 -1.460 13.281 1.00 0.00 C ATOM 1475 O LEU A 94 8.574 -1.590 13.187 1.00 0.00 O ATOM 1476 CB LEU A 94 10.388 0.967 13.375 1.00 0.00 C ATOM 1477 CG LEU A 94 9.078 1.731 13.173 1.00 0.00 C ATOM 1478 CD1 LEU A 94 8.771 2.596 14.385 1.00 0.00 C ATOM 1479 CD2 LEU A 94 9.146 2.582 11.914 1.00 0.00 C ATOM 0 H LEU A 94 9.050 0.265 11.186 1.00 0.00 H new ATOM 0 HA LEU A 94 11.570 -0.591 12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.491 0.726 14.433 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.218 1.625 13.116 1.00 0.00 H new ATOM 0 HG LEU A 94 8.272 1.006 13.056 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.836 3.131 14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.679 1.965 15.269 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.578 3.313 14.534 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.206 3.118 11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.963 3.298 12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.318 1.940 11.050 1.00 0.00 H new ATOM 1491 N LEU A 95 10.558 -2.277 13.999 1.00 0.00 N ATOM 1492 CA LEU A 95 9.995 -3.401 14.738 1.00 0.00 C ATOM 1493 C LEU A 95 9.593 -2.972 16.146 1.00 0.00 C ATOM 1494 O LEU A 95 10.376 -2.353 16.864 1.00 0.00 O ATOM 1495 CB LEU A 95 11.005 -4.548 14.812 1.00 0.00 C ATOM 1496 CG LEU A 95 10.930 -5.552 13.661 1.00 0.00 C ATOM 1497 CD1 LEU A 95 11.178 -4.858 12.330 1.00 0.00 C ATOM 1498 CD2 LEU A 95 11.931 -6.677 13.872 1.00 0.00 C ATOM 0 H LEU A 95 11.570 -2.181 14.085 1.00 0.00 H new ATOM 0 HA LEU A 95 9.105 -3.745 14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.010 -4.126 14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.857 -5.082 15.750 1.00 0.00 H new ATOM 0 HG LEU A 95 9.928 -5.981 13.642 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.121 -5.588 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.424 -4.087 12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.168 -4.401 12.337 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.865 -7.383 13.044 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.939 -6.264 13.917 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.708 -7.192 14.807 1.00 0.00 H new ATOM 1510 N ALA A 96 8.365 -3.304 16.534 1.00 0.00 N ATOM 1511 CA ALA A 96 7.861 -2.950 17.855 1.00 0.00 C ATOM 1512 C ALA A 96 6.353 -3.149 17.938 1.00 0.00 C ATOM 1513 O ALA A 96 5.675 -2.283 18.531 1.00 0.00 O ATOM 1514 CB ALA A 96 8.221 -1.513 18.205 1.00 0.00 C ATOM 1515 OXT ALA A 96 5.862 -4.169 17.411 1.00 0.00 O ATOM 0 H ALA A 96 7.702 -3.817 15.953 1.00 0.00 H new ATOM 0 HA ALA A 96 8.335 -3.614 18.578 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.834 -1.272 19.195 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.305 -1.398 18.201 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.782 -0.839 17.470 1.00 0.00 H new TER 1521 ALA A 96