USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 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 29 GLN : amide:sc= 0.173 K(o=1.4,f=0.8) USER MOD Set 1.2: A 76 TYR OH : rot -172:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.068 (180deg=-0.38) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.654 K(o=-0.65,f=-2.9!) USER MOD Single : A 8 HIS : no HD1:sc= -0.0453 X(o=-0.045,f=-0.091) USER MOD Single : A 9 SER OG : rot 1:sc= -0.601 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 1.28 (180deg=1.16) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -2.25! C(o=-2.3!,f=-7.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.198 F(o=-1.9!,f=-0.2) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.71! C(o=-1.7!,f=-8.5!) USER MOD Single : A 62 ASN : amide:sc= -0.684 K(o=-0.68,f=-4.6!) USER MOD Single : A 81 SER OG : rot 2:sc= 0.296 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 98:sc= -1.7! USER MOD Single : A 96 GLN :FLIP amide:sc= -0.142 F(o=-0.92,f=-0.14) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.023 18.112 21.532 1.00 13.11 N ATOM 2 CA MET A 1 13.894 19.307 21.354 1.00 52.32 C ATOM 3 C MET A 1 13.480 20.113 20.111 1.00 11.22 C ATOM 4 O MET A 1 13.916 19.822 18.996 1.00 74.53 O ATOM 5 CB MET A 1 15.371 18.885 21.246 1.00 62.42 C ATOM 6 CG MET A 1 16.339 20.058 21.133 1.00 10.53 C ATOM 7 SD MET A 1 16.187 21.218 22.511 1.00 13.22 S ATOM 8 CE MET A 1 16.603 20.167 23.906 1.00 65.41 C ATOM 0 H1 MET A 1 13.324 17.586 22.377 1.00 13.11 H new ATOM 0 H2 MET A 1 12.035 18.416 21.647 1.00 13.11 H new ATOM 0 H3 MET A 1 13.101 17.498 20.696 1.00 13.11 H new ATOM 0 HA MET A 1 13.773 19.945 22.230 1.00 52.32 H new ATOM 0 HB2 MET A 1 15.635 18.291 22.121 1.00 62.42 H new ATOM 0 HB3 MET A 1 15.492 18.240 20.375 1.00 62.42 H new ATOM 0 HG2 MET A 1 17.360 19.679 21.092 1.00 10.53 H new ATOM 0 HG3 MET A 1 16.157 20.586 20.197 1.00 10.53 H new ATOM 0 HE1 MET A 1 16.812 20.786 24.778 1.00 65.41 H new ATOM 0 HE2 MET A 1 15.766 19.504 24.124 1.00 65.41 H new ATOM 0 HE3 MET A 1 17.484 19.572 23.664 1.00 65.41 H new ATOM 20 N GLY A 2 12.624 21.114 20.311 1.00 55.34 N ATOM 21 CA GLY A 2 12.179 21.961 19.208 1.00 24.01 C ATOM 22 C GLY A 2 11.382 21.213 18.144 1.00 20.05 C ATOM 23 O GLY A 2 10.518 20.392 18.459 1.00 25.13 O ATOM 0 H GLY A 2 12.228 21.356 21.219 1.00 55.34 H new ATOM 0 HA2 GLY A 2 11.566 22.770 19.607 1.00 24.01 H new ATOM 0 HA3 GLY A 2 13.050 22.421 18.741 1.00 24.01 H new ATOM 27 N HIS A 3 11.674 21.495 16.876 1.00 35.41 N ATOM 28 CA HIS A 3 10.971 20.856 15.757 1.00 23.53 C ATOM 29 C HIS A 3 11.656 19.550 15.312 1.00 64.41 C ATOM 30 O HIS A 3 12.749 19.215 15.771 1.00 12.01 O ATOM 31 CB HIS A 3 10.866 21.829 14.575 1.00 43.45 C ATOM 32 CG HIS A 3 9.991 23.016 14.853 1.00 62.41 C ATOM 33 ND1 HIS A 3 8.699 23.124 14.382 1.00 14.04 N ATOM 34 CD2 HIS A 3 10.223 24.152 15.556 1.00 73.03 C ATOM 35 CE1 HIS A 3 8.181 24.269 14.779 1.00 11.01 C ATOM 36 NE2 HIS A 3 9.080 24.912 15.495 1.00 72.12 N ATOM 0 H HIS A 3 12.393 22.162 16.594 1.00 35.41 H new ATOM 0 HA HIS A 3 9.971 20.597 16.104 1.00 23.53 H new ATOM 0 HB2 HIS A 3 11.865 22.177 14.312 1.00 43.45 H new ATOM 0 HB3 HIS A 3 10.476 21.295 13.709 1.00 43.45 H new ATOM 0 HD2 HIS A 3 11.137 24.411 16.069 1.00 73.03 H new ATOM 0 HE1 HIS A 3 7.185 24.621 14.555 1.00 11.01 H new ATOM 0 HE2 HIS A 3 8.949 25.824 15.932 1.00 72.12 H new ATOM 45 N HIS A 4 11.004 18.819 14.410 1.00 34.31 N ATOM 46 CA HIS A 4 11.521 17.536 13.921 1.00 30.04 C ATOM 47 C HIS A 4 12.526 17.713 12.769 1.00 73.12 C ATOM 48 O HIS A 4 12.779 18.824 12.308 1.00 74.24 O ATOM 49 CB HIS A 4 10.358 16.639 13.475 1.00 2.21 C ATOM 50 CG HIS A 4 9.554 16.079 14.609 1.00 4.03 C ATOM 51 ND1 HIS A 4 9.423 14.727 14.838 1.00 43.12 N ATOM 52 CD2 HIS A 4 8.830 16.690 15.577 1.00 30.32 C ATOM 53 CE1 HIS A 4 8.657 14.531 15.890 1.00 14.32 C ATOM 54 NE2 HIS A 4 8.282 15.704 16.359 1.00 10.43 N ATOM 0 H HIS A 4 10.111 19.093 13.999 1.00 34.31 H new ATOM 0 HA HIS A 4 12.055 17.063 14.745 1.00 30.04 H new ATOM 0 HB2 HIS A 4 9.699 17.213 12.824 1.00 2.21 H new ATOM 0 HB3 HIS A 4 10.754 15.815 12.882 1.00 2.21 H new ATOM 0 HD2 HIS A 4 8.707 17.755 15.709 1.00 30.32 H new ATOM 0 HE1 HIS A 4 8.382 13.570 16.300 1.00 14.32 H new ATOM 0 HE2 HIS A 4 7.683 15.855 17.170 1.00 10.43 H new ATOM 63 N HIS A 5 13.089 16.597 12.308 1.00 62.34 N ATOM 64 CA HIS A 5 14.111 16.614 11.253 1.00 63.31 C ATOM 65 C HIS A 5 13.544 16.130 9.907 1.00 20.44 C ATOM 66 O HIS A 5 13.279 14.940 9.730 1.00 24.12 O ATOM 67 CB HIS A 5 15.292 15.717 11.652 1.00 62.42 C ATOM 68 CG HIS A 5 15.949 16.095 12.946 1.00 32.13 C ATOM 69 ND1 HIS A 5 17.090 16.862 13.009 1.00 24.14 N ATOM 70 CD2 HIS A 5 15.637 15.787 14.228 1.00 70.40 C ATOM 71 CE1 HIS A 5 17.451 17.009 14.269 1.00 54.40 C ATOM 72 NE2 HIS A 5 16.589 16.368 15.029 1.00 75.41 N ATOM 0 H HIS A 5 12.856 15.664 12.648 1.00 62.34 H new ATOM 0 HA HIS A 5 14.445 17.645 11.136 1.00 63.31 H new ATOM 0 HB2 HIS A 5 14.942 14.687 11.724 1.00 62.42 H new ATOM 0 HB3 HIS A 5 16.038 15.745 10.858 1.00 62.42 H new ATOM 0 HD2 HIS A 5 14.796 15.195 14.558 1.00 70.40 H new ATOM 0 HE1 HIS A 5 18.310 17.563 14.618 1.00 54.40 H new ATOM 0 HE2 HIS A 5 16.623 16.312 16.047 1.00 75.41 H new ATOM 81 N HIS A 6 13.378 17.047 8.954 1.00 42.03 N ATOM 82 CA HIS A 6 12.882 16.687 7.618 1.00 31.32 C ATOM 83 C HIS A 6 13.932 15.893 6.825 1.00 63.55 C ATOM 84 O HIS A 6 14.809 16.477 6.181 1.00 5.33 O ATOM 85 CB HIS A 6 12.489 17.937 6.821 1.00 45.03 C ATOM 86 CG HIS A 6 11.398 18.750 7.444 1.00 24.13 C ATOM 87 ND1 HIS A 6 11.628 19.952 8.069 1.00 14.35 N ATOM 88 CD2 HIS A 6 10.062 18.544 7.515 1.00 64.10 C ATOM 89 CE1 HIS A 6 10.489 20.450 8.497 1.00 33.53 C ATOM 90 NE2 HIS A 6 9.521 19.618 8.175 1.00 72.34 N ATOM 0 H HIS A 6 13.577 18.040 9.077 1.00 42.03 H new ATOM 0 HA HIS A 6 12.002 16.061 7.764 1.00 31.32 H new ATOM 0 HB2 HIS A 6 13.370 18.567 6.699 1.00 45.03 H new ATOM 0 HB3 HIS A 6 12.174 17.632 5.823 1.00 45.03 H new ATOM 0 HD2 HIS A 6 9.523 17.693 7.125 1.00 64.10 H new ATOM 0 HE1 HIS A 6 10.368 21.385 9.024 1.00 33.53 H new ATOM 0 HE2 HIS A 6 8.531 19.750 8.382 1.00 72.34 H new ATOM 99 N HIS A 7 13.853 14.567 6.894 1.00 24.23 N ATOM 100 CA HIS A 7 14.722 13.690 6.096 1.00 4.53 C ATOM 101 C HIS A 7 13.897 12.938 5.035 1.00 71.31 C ATOM 102 O HIS A 7 12.814 12.422 5.320 1.00 3.14 O ATOM 103 CB HIS A 7 15.506 12.722 6.999 1.00 12.21 C ATOM 104 CG HIS A 7 14.664 11.904 7.931 1.00 32.14 C ATOM 105 ND1 HIS A 7 14.149 12.397 9.113 1.00 24.12 N ATOM 106 CD2 HIS A 7 14.262 10.615 7.863 1.00 62.42 C ATOM 107 CE1 HIS A 7 13.471 11.449 9.728 1.00 71.11 C ATOM 108 NE2 HIS A 7 13.522 10.360 8.992 1.00 74.12 N ATOM 0 H HIS A 7 13.196 14.070 7.495 1.00 24.23 H new ATOM 0 HA HIS A 7 15.453 14.307 5.574 1.00 4.53 H new ATOM 0 HB2 HIS A 7 16.083 12.047 6.368 1.00 12.21 H new ATOM 0 HB3 HIS A 7 16.221 13.297 7.588 1.00 12.21 H new ATOM 0 HD1 HIS A 7 14.274 13.349 9.458 1.00 24.12 H new ATOM 0 HD2 HIS A 7 14.482 9.916 7.069 1.00 62.42 H new ATOM 0 HE1 HIS A 7 12.961 11.549 10.675 1.00 71.11 H new ATOM 117 N HIS A 8 14.428 12.870 3.815 1.00 52.30 N ATOM 118 CA HIS A 8 13.641 12.456 2.640 1.00 11.24 C ATOM 119 C HIS A 8 14.007 11.058 2.115 1.00 3.13 C ATOM 120 O HIS A 8 15.053 10.496 2.443 1.00 24.24 O ATOM 121 CB HIS A 8 13.814 13.490 1.517 1.00 53.20 C ATOM 122 CG HIS A 8 15.251 13.789 1.187 1.00 63.42 C ATOM 123 ND1 HIS A 8 16.004 13.029 0.314 1.00 40.13 N ATOM 124 CD2 HIS A 8 16.079 14.767 1.631 1.00 33.22 C ATOM 125 CE1 HIS A 8 17.224 13.522 0.239 1.00 4.42 C ATOM 126 NE2 HIS A 8 17.296 14.574 1.024 1.00 1.55 N ATOM 0 H HIS A 8 15.401 13.095 3.608 1.00 52.30 H new ATOM 0 HA HIS A 8 12.601 12.403 2.963 1.00 11.24 H new ATOM 0 HB2 HIS A 8 13.312 13.127 0.620 1.00 53.20 H new ATOM 0 HB3 HIS A 8 13.317 14.416 1.807 1.00 53.20 H new ATOM 0 HD2 HIS A 8 15.828 15.551 2.331 1.00 33.22 H new ATOM 0 HE1 HIS A 8 18.028 13.128 -0.365 1.00 4.42 H new ATOM 0 HE2 HIS A 8 18.124 15.154 1.161 1.00 1.55 H new ATOM 135 N SER A 9 13.125 10.511 1.280 1.00 34.25 N ATOM 136 CA SER A 9 13.343 9.210 0.627 1.00 24.03 C ATOM 137 C SER A 9 12.556 9.135 -0.685 1.00 33.25 C ATOM 138 O SER A 9 11.867 10.083 -1.057 1.00 51.12 O ATOM 139 CB SER A 9 12.913 8.053 1.545 1.00 23.44 C ATOM 140 OG SER A 9 13.690 8.008 2.729 1.00 45.42 O ATOM 0 H SER A 9 12.239 10.952 1.034 1.00 34.25 H new ATOM 0 HA SER A 9 14.409 9.116 0.419 1.00 24.03 H new ATOM 0 HB2 SER A 9 11.860 8.166 1.804 1.00 23.44 H new ATOM 0 HB3 SER A 9 13.010 7.108 1.010 1.00 23.44 H new ATOM 0 HG SER A 9 14.342 8.740 2.721 1.00 45.42 H new ATOM 146 N HIS A 10 12.658 8.007 -1.385 1.00 70.42 N ATOM 147 CA HIS A 10 11.891 7.799 -2.618 1.00 60.52 C ATOM 148 C HIS A 10 10.495 7.237 -2.310 1.00 21.21 C ATOM 149 O HIS A 10 10.353 6.293 -1.530 1.00 14.42 O ATOM 150 CB HIS A 10 12.637 6.855 -3.572 1.00 71.22 C ATOM 151 CG HIS A 10 13.943 7.400 -4.074 1.00 24.01 C ATOM 152 ND1 HIS A 10 14.979 6.598 -4.501 1.00 44.40 N ATOM 153 CD2 HIS A 10 14.372 8.676 -4.238 1.00 61.12 C ATOM 154 CE1 HIS A 10 15.984 7.351 -4.902 1.00 30.34 C ATOM 155 NE2 HIS A 10 15.641 8.613 -4.755 1.00 71.11 N ATOM 0 H HIS A 10 13.259 7.226 -1.124 1.00 70.42 H new ATOM 0 HA HIS A 10 11.776 8.768 -3.103 1.00 60.52 H new ATOM 0 HB2 HIS A 10 12.822 5.910 -3.061 1.00 71.22 H new ATOM 0 HB3 HIS A 10 11.995 6.635 -4.425 1.00 71.22 H new ATOM 0 HD2 HIS A 10 13.818 9.574 -4.005 1.00 61.12 H new ATOM 0 HE1 HIS A 10 16.928 6.993 -5.286 1.00 30.34 H new ATOM 0 HE2 HIS A 10 16.225 9.416 -4.988 1.00 71.11 H new ATOM 164 N MET A 11 9.469 7.828 -2.918 1.00 43.13 N ATOM 165 CA MET A 11 8.086 7.385 -2.714 1.00 21.32 C ATOM 166 C MET A 11 7.829 6.026 -3.385 1.00 20.24 C ATOM 167 O MET A 11 8.352 5.746 -4.463 1.00 33.00 O ATOM 168 CB MET A 11 7.103 8.431 -3.258 1.00 60.40 C ATOM 169 CG MET A 11 7.270 9.814 -2.642 1.00 53.22 C ATOM 170 SD MET A 11 8.868 10.560 -3.029 1.00 23.12 S ATOM 171 CE MET A 11 8.767 12.089 -2.096 1.00 21.23 C ATOM 0 H MET A 11 9.566 8.617 -3.558 1.00 43.13 H new ATOM 0 HA MET A 11 7.930 7.270 -1.641 1.00 21.32 H new ATOM 0 HB2 MET A 11 7.230 8.507 -4.338 1.00 60.40 H new ATOM 0 HB3 MET A 11 6.085 8.085 -3.080 1.00 60.40 H new ATOM 0 HG2 MET A 11 6.473 10.466 -3.000 1.00 53.22 H new ATOM 0 HG3 MET A 11 7.160 9.741 -1.560 1.00 53.22 H new ATOM 0 HE1 MET A 11 9.684 12.661 -2.235 1.00 21.23 H new ATOM 0 HE2 MET A 11 7.917 12.674 -2.447 1.00 21.23 H new ATOM 0 HE3 MET A 11 8.638 11.862 -1.038 1.00 21.23 H new ATOM 181 N VAL A 12 7.017 5.190 -2.743 1.00 54.33 N ATOM 182 CA VAL A 12 6.693 3.856 -3.262 1.00 44.02 C ATOM 183 C VAL A 12 5.180 3.706 -3.485 1.00 50.44 C ATOM 184 O VAL A 12 4.379 4.230 -2.719 1.00 54.02 O ATOM 185 CB VAL A 12 7.198 2.756 -2.286 1.00 22.43 C ATOM 186 CG1 VAL A 12 6.696 1.371 -2.691 1.00 11.21 C ATOM 187 CG2 VAL A 12 8.725 2.773 -2.211 1.00 65.13 C ATOM 0 H VAL A 12 6.566 5.412 -1.855 1.00 54.33 H new ATOM 0 HA VAL A 12 7.197 3.737 -4.221 1.00 44.02 H new ATOM 0 HB VAL A 12 6.794 2.976 -1.298 1.00 22.43 H new ATOM 0 HG11 VAL A 12 7.069 0.628 -1.986 1.00 11.21 H new ATOM 0 HG12 VAL A 12 5.606 1.363 -2.684 1.00 11.21 H new ATOM 0 HG13 VAL A 12 7.054 1.133 -3.692 1.00 11.21 H new ATOM 0 HG21 VAL A 12 9.064 1.998 -1.524 1.00 65.13 H new ATOM 0 HG22 VAL A 12 9.140 2.587 -3.202 1.00 65.13 H new ATOM 0 HG23 VAL A 12 9.061 3.746 -1.854 1.00 65.13 H new ATOM 197 N VAL A 13 4.789 3.008 -4.547 1.00 74.04 N ATOM 198 CA VAL A 13 3.368 2.804 -4.855 1.00 32.30 C ATOM 199 C VAL A 13 3.055 1.328 -5.154 1.00 43.03 C ATOM 200 O VAL A 13 3.659 0.714 -6.036 1.00 64.41 O ATOM 201 CB VAL A 13 2.911 3.692 -6.045 1.00 1.44 C ATOM 202 CG1 VAL A 13 2.931 5.166 -5.654 1.00 23.01 C ATOM 203 CG2 VAL A 13 3.789 3.467 -7.276 1.00 14.23 C ATOM 0 H VAL A 13 5.430 2.573 -5.210 1.00 74.04 H new ATOM 0 HA VAL A 13 2.811 3.099 -3.966 1.00 32.30 H new ATOM 0 HB VAL A 13 1.890 3.405 -6.296 1.00 1.44 H new ATOM 0 HG11 VAL A 13 2.608 5.771 -6.501 1.00 23.01 H new ATOM 0 HG12 VAL A 13 2.257 5.329 -4.813 1.00 23.01 H new ATOM 0 HG13 VAL A 13 3.943 5.453 -5.368 1.00 23.01 H new ATOM 0 HG21 VAL A 13 3.443 4.103 -8.091 1.00 14.23 H new ATOM 0 HG22 VAL A 13 4.823 3.715 -7.036 1.00 14.23 H new ATOM 0 HG23 VAL A 13 3.728 2.422 -7.580 1.00 14.23 H new ATOM 213 N ILE A 14 2.101 0.761 -4.415 1.00 12.33 N ATOM 214 CA ILE A 14 1.735 -0.652 -4.584 1.00 40.21 C ATOM 215 C ILE A 14 1.051 -0.877 -5.948 1.00 2.50 C ATOM 216 O ILE A 14 0.314 -0.016 -6.429 1.00 33.21 O ATOM 217 CB ILE A 14 0.808 -1.139 -3.431 1.00 23.35 C ATOM 218 CG1 ILE A 14 0.843 -2.672 -3.315 1.00 21.12 C ATOM 219 CG2 ILE A 14 -0.626 -0.648 -3.627 1.00 2.30 C ATOM 220 CD1 ILE A 14 2.177 -3.213 -2.836 1.00 52.24 C ATOM 0 H ILE A 14 1.569 1.252 -3.697 1.00 12.33 H new ATOM 0 HA ILE A 14 2.654 -1.237 -4.550 1.00 40.21 H new ATOM 0 HB ILE A 14 1.184 -0.713 -2.501 1.00 23.35 H new ATOM 0 HG12 ILE A 14 0.061 -2.994 -2.627 1.00 21.12 H new ATOM 0 HG13 ILE A 14 0.611 -3.107 -4.287 1.00 21.12 H new ATOM 0 HG21 ILE A 14 -1.248 -1.005 -2.806 1.00 2.30 H new ATOM 0 HG22 ILE A 14 -0.638 0.442 -3.645 1.00 2.30 H new ATOM 0 HG23 ILE A 14 -1.016 -1.031 -4.570 1.00 2.30 H new ATOM 0 HD11 ILE A 14 2.129 -4.300 -2.778 1.00 52.24 H new ATOM 0 HD12 ILE A 14 2.960 -2.921 -3.536 1.00 52.24 H new ATOM 0 HD13 ILE A 14 2.402 -2.807 -1.850 1.00 52.24 H new ATOM 232 N ARG A 15 1.306 -2.024 -6.575 1.00 75.25 N ATOM 233 CA ARG A 15 0.787 -2.303 -7.921 1.00 32.50 C ATOM 234 C ARG A 15 0.046 -3.651 -7.990 1.00 40.24 C ATOM 235 O ARG A 15 0.354 -4.580 -7.242 1.00 14.32 O ATOM 236 CB ARG A 15 1.945 -2.259 -8.938 1.00 54.24 C ATOM 237 CG ARG A 15 1.564 -2.706 -10.349 1.00 45.24 C ATOM 238 CD ARG A 15 2.495 -2.132 -11.413 1.00 34.44 C ATOM 239 NE ARG A 15 3.903 -2.449 -11.180 1.00 22.22 N ATOM 240 CZ ARG A 15 4.881 -1.944 -11.889 1.00 51.30 C ATOM 241 NH1 ARG A 15 4.623 -1.140 -12.871 1.00 33.22 N ATOM 242 NH2 ARG A 15 6.111 -2.232 -11.612 1.00 34.33 N ATOM 0 H ARG A 15 1.868 -2.777 -6.177 1.00 75.25 H new ATOM 0 HA ARG A 15 0.057 -1.533 -8.169 1.00 32.50 H new ATOM 0 HB2 ARG A 15 2.333 -1.241 -8.985 1.00 54.24 H new ATOM 0 HB3 ARG A 15 2.755 -2.892 -8.576 1.00 54.24 H new ATOM 0 HG2 ARG A 15 1.586 -3.795 -10.400 1.00 45.24 H new ATOM 0 HG3 ARG A 15 0.540 -2.397 -10.561 1.00 45.24 H new ATOM 0 HD2 ARG A 15 2.200 -2.516 -12.390 1.00 34.44 H new ATOM 0 HD3 ARG A 15 2.374 -1.049 -11.446 1.00 34.44 H new ATOM 0 HE ARG A 15 4.135 -3.096 -10.427 1.00 22.22 H new ATOM 0 HH11 ARG A 15 3.657 -0.899 -13.093 1.00 33.22 H new ATOM 0 HH12 ARG A 15 5.386 -0.747 -13.423 1.00 33.22 H new ATOM 0 HH21 ARG A 15 6.326 -2.857 -10.835 1.00 34.33 H new ATOM 0 HH22 ARG A 15 6.866 -1.834 -12.170 1.00 34.33 H new ATOM 256 N ARG A 16 -0.943 -3.726 -8.891 1.00 1.43 N ATOM 257 CA ARG A 16 -1.755 -4.940 -9.102 1.00 42.42 C ATOM 258 C ARG A 16 -2.642 -5.282 -7.895 1.00 22.14 C ATOM 259 O ARG A 16 -3.072 -6.426 -7.740 1.00 43.31 O ATOM 260 CB ARG A 16 -0.875 -6.145 -9.470 1.00 44.01 C ATOM 261 CG ARG A 16 -0.394 -6.139 -10.916 1.00 5.20 C ATOM 262 CD ARG A 16 0.325 -7.434 -11.272 1.00 44.24 C ATOM 263 NE ARG A 16 -0.492 -8.616 -10.983 1.00 22.23 N ATOM 264 CZ ARG A 16 -0.109 -9.841 -11.218 1.00 54.14 C ATOM 265 NH1 ARG A 16 1.008 -10.075 -11.832 1.00 42.14 N ATOM 266 NH2 ARG A 16 -0.858 -10.835 -10.861 1.00 75.13 N ATOM 0 H ARG A 16 -1.206 -2.948 -9.496 1.00 1.43 H new ATOM 0 HA ARG A 16 -2.417 -4.717 -9.938 1.00 42.42 H new ATOM 0 HB2 ARG A 16 -0.008 -6.165 -8.809 1.00 44.01 H new ATOM 0 HB3 ARG A 16 -1.436 -7.062 -9.288 1.00 44.01 H new ATOM 0 HG2 ARG A 16 -1.245 -5.999 -11.583 1.00 5.20 H new ATOM 0 HG3 ARG A 16 0.277 -5.294 -11.074 1.00 5.20 H new ATOM 0 HD2 ARG A 16 0.586 -7.424 -12.330 1.00 44.24 H new ATOM 0 HD3 ARG A 16 1.259 -7.495 -10.714 1.00 44.24 H new ATOM 0 HE ARG A 16 -1.415 -8.472 -10.574 1.00 22.23 H new ATOM 0 HH11 ARG A 16 1.595 -9.298 -12.136 1.00 42.14 H new ATOM 0 HH12 ARG A 16 1.300 -11.036 -12.012 1.00 42.14 H new ATOM 0 HH21 ARG A 16 -1.749 -10.661 -10.395 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -0.557 -11.792 -11.045 1.00 75.13 H new ATOM 280 N LEU A 17 -2.947 -4.281 -7.074 1.00 60.51 N ATOM 281 CA LEU A 17 -3.822 -4.468 -5.907 1.00 22.14 C ATOM 282 C LEU A 17 -5.304 -4.460 -6.350 1.00 0.33 C ATOM 283 O LEU A 17 -5.840 -3.410 -6.713 1.00 13.32 O ATOM 284 CB LEU A 17 -3.561 -3.347 -4.876 1.00 2.25 C ATOM 285 CG LEU A 17 -3.809 -3.701 -3.392 1.00 41.42 C ATOM 286 CD1 LEU A 17 -5.230 -4.207 -3.154 1.00 62.14 C ATOM 287 CD2 LEU A 17 -2.786 -4.725 -2.908 1.00 24.34 C ATOM 0 H LEU A 17 -2.603 -3.328 -7.191 1.00 60.51 H new ATOM 0 HA LEU A 17 -3.604 -5.430 -5.444 1.00 22.14 H new ATOM 0 HB2 LEU A 17 -2.526 -3.022 -4.980 1.00 2.25 H new ATOM 0 HB3 LEU A 17 -4.190 -2.495 -5.133 1.00 2.25 H new ATOM 0 HG LEU A 17 -3.691 -2.784 -2.814 1.00 41.42 H new ATOM 0 HD11 LEU A 17 -5.360 -4.444 -2.098 1.00 62.14 H new ATOM 0 HD12 LEU A 17 -5.944 -3.436 -3.443 1.00 62.14 H new ATOM 0 HD13 LEU A 17 -5.402 -5.103 -3.750 1.00 62.14 H new ATOM 0 HD21 LEU A 17 -2.976 -4.962 -1.861 1.00 24.34 H new ATOM 0 HD22 LEU A 17 -2.868 -5.632 -3.506 1.00 24.34 H new ATOM 0 HD23 LEU A 17 -1.782 -4.313 -3.010 1.00 24.34 H new ATOM 299 N PRO A 18 -5.980 -5.626 -6.346 1.00 52.20 N ATOM 300 CA PRO A 18 -7.376 -5.731 -6.795 1.00 43.10 C ATOM 301 C PRO A 18 -8.399 -5.395 -5.692 1.00 34.10 C ATOM 302 O PRO A 18 -8.092 -5.477 -4.500 1.00 11.35 O ATOM 303 CB PRO A 18 -7.470 -7.205 -7.199 1.00 3.22 C ATOM 304 CG PRO A 18 -6.547 -7.914 -6.260 1.00 33.12 C ATOM 305 CD PRO A 18 -5.449 -6.933 -5.906 1.00 51.32 C ATOM 0 HA PRO A 18 -7.612 -5.024 -7.590 1.00 43.10 H new ATOM 0 HB2 PRO A 18 -8.491 -7.577 -7.107 1.00 3.22 H new ATOM 0 HB3 PRO A 18 -7.169 -7.352 -8.236 1.00 3.22 H new ATOM 0 HG2 PRO A 18 -7.079 -8.239 -5.366 1.00 33.12 H new ATOM 0 HG3 PRO A 18 -6.132 -8.808 -6.726 1.00 33.12 H new ATOM 0 HD2 PRO A 18 -5.239 -6.939 -4.836 1.00 51.32 H new ATOM 0 HD3 PRO A 18 -4.517 -7.177 -6.415 1.00 51.32 H new ATOM 313 N PRO A 19 -9.631 -4.996 -6.077 1.00 50.42 N ATOM 314 CA PRO A 19 -10.722 -4.736 -5.113 1.00 32.52 C ATOM 315 C PRO A 19 -11.050 -5.967 -4.247 1.00 4.30 C ATOM 316 O PRO A 19 -10.993 -7.104 -4.723 1.00 70.04 O ATOM 317 CB PRO A 19 -11.917 -4.372 -6.014 1.00 30.42 C ATOM 318 CG PRO A 19 -11.306 -3.922 -7.299 1.00 12.31 C ATOM 319 CD PRO A 19 -10.062 -4.753 -7.470 1.00 30.04 C ATOM 0 HA PRO A 19 -10.457 -3.955 -4.400 1.00 32.52 H new ATOM 0 HB2 PRO A 19 -12.572 -5.230 -6.167 1.00 30.42 H new ATOM 0 HB3 PRO A 19 -12.523 -3.584 -5.567 1.00 30.42 H new ATOM 0 HG2 PRO A 19 -11.993 -4.069 -8.132 1.00 12.31 H new ATOM 0 HG3 PRO A 19 -11.066 -2.859 -7.268 1.00 12.31 H new ATOM 0 HD2 PRO A 19 -10.268 -5.685 -7.997 1.00 30.04 H new ATOM 0 HD3 PRO A 19 -9.299 -4.225 -8.042 1.00 30.04 H new ATOM 327 N GLY A 20 -11.400 -5.739 -2.980 1.00 62.22 N ATOM 328 CA GLY A 20 -11.669 -6.854 -2.079 1.00 52.15 C ATOM 329 C GLY A 20 -11.660 -6.474 -0.603 1.00 30.23 C ATOM 330 O GLY A 20 -12.334 -7.105 0.214 1.00 4.22 O ATOM 0 H GLY A 20 -11.502 -4.813 -2.564 1.00 62.22 H new ATOM 0 HA2 GLY A 20 -12.640 -7.282 -2.327 1.00 52.15 H new ATOM 0 HA3 GLY A 20 -10.925 -7.632 -2.248 1.00 52.15 H new ATOM 334 N LEU A 21 -10.899 -5.443 -0.256 1.00 52.44 N ATOM 335 CA LEU A 21 -10.780 -5.011 1.141 1.00 61.15 C ATOM 336 C LEU A 21 -10.744 -3.481 1.272 1.00 53.41 C ATOM 337 O LEU A 21 -10.576 -2.754 0.290 1.00 42.52 O ATOM 338 CB LEU A 21 -9.537 -5.632 1.812 1.00 31.50 C ATOM 339 CG LEU A 21 -8.161 -5.118 1.340 1.00 43.30 C ATOM 340 CD1 LEU A 21 -7.047 -5.724 2.191 1.00 22.02 C ATOM 341 CD2 LEU A 21 -7.927 -5.413 -0.141 1.00 31.10 C ATOM 0 H LEU A 21 -10.355 -4.889 -0.917 1.00 52.44 H new ATOM 0 HA LEU A 21 -11.672 -5.368 1.656 1.00 61.15 H new ATOM 0 HB2 LEU A 21 -9.612 -5.464 2.886 1.00 31.50 H new ATOM 0 HB3 LEU A 21 -9.569 -6.710 1.655 1.00 31.50 H new ATOM 0 HG LEU A 21 -8.150 -4.035 1.464 1.00 43.30 H new ATOM 0 HD11 LEU A 21 -6.082 -5.352 1.846 1.00 22.02 H new ATOM 0 HD12 LEU A 21 -7.192 -5.443 3.234 1.00 22.02 H new ATOM 0 HD13 LEU A 21 -7.070 -6.810 2.101 1.00 22.02 H new ATOM 0 HD21 LEU A 21 -6.948 -5.036 -0.437 1.00 31.10 H new ATOM 0 HD22 LEU A 21 -7.967 -6.489 -0.308 1.00 31.10 H new ATOM 0 HD23 LEU A 21 -8.699 -4.924 -0.736 1.00 31.10 H new ATOM 353 N THR A 22 -10.900 -3.005 2.503 1.00 24.12 N ATOM 354 CA THR A 22 -10.914 -1.569 2.795 1.00 72.44 C ATOM 355 C THR A 22 -9.518 -1.066 3.179 1.00 14.24 C ATOM 356 O THR A 22 -8.710 -1.812 3.738 1.00 52.13 O ATOM 357 CB THR A 22 -11.903 -1.241 3.944 1.00 35.21 C ATOM 358 OG1 THR A 22 -13.221 -1.684 3.596 1.00 63.41 O ATOM 359 CG2 THR A 22 -11.940 0.254 4.250 1.00 3.51 C ATOM 0 H THR A 22 -11.020 -3.597 3.325 1.00 24.12 H new ATOM 0 HA THR A 22 -11.239 -1.063 1.886 1.00 72.44 H new ATOM 0 HB THR A 22 -11.555 -1.763 4.835 1.00 35.21 H new ATOM 0 HG1 THR A 22 -13.840 -1.475 4.327 1.00 63.41 H new ATOM 0 HG21 THR A 22 -12.644 0.442 5.060 1.00 3.51 H new ATOM 0 HG22 THR A 22 -10.946 0.589 4.548 1.00 3.51 H new ATOM 0 HG23 THR A 22 -12.256 0.800 3.361 1.00 3.51 H new ATOM 367 N LYS A 23 -9.251 0.210 2.890 1.00 43.43 N ATOM 368 CA LYS A 23 -7.962 0.845 3.194 1.00 34.13 C ATOM 369 C LYS A 23 -7.446 0.533 4.613 1.00 43.44 C ATOM 370 O LYS A 23 -6.250 0.554 4.843 1.00 25.24 O ATOM 371 CB LYS A 23 -8.064 2.368 2.972 1.00 11.15 C ATOM 372 CG LYS A 23 -9.171 3.072 3.770 1.00 52.22 C ATOM 373 CD LYS A 23 -8.732 3.476 5.182 1.00 54.21 C ATOM 374 CE LYS A 23 -7.591 4.492 5.165 1.00 62.45 C ATOM 375 NZ LYS A 23 -7.178 4.888 6.539 1.00 32.43 N ATOM 0 H LYS A 23 -9.920 0.833 2.439 1.00 43.43 H new ATOM 0 HA LYS A 23 -7.229 0.420 2.508 1.00 34.13 H new ATOM 0 HB2 LYS A 23 -7.107 2.822 3.231 1.00 11.15 H new ATOM 0 HB3 LYS A 23 -8.229 2.554 1.911 1.00 11.15 H new ATOM 0 HG2 LYS A 23 -9.492 3.961 3.228 1.00 52.22 H new ATOM 0 HG3 LYS A 23 -10.036 2.412 3.840 1.00 52.22 H new ATOM 0 HD2 LYS A 23 -9.583 3.897 5.718 1.00 54.21 H new ATOM 0 HD3 LYS A 23 -8.417 2.588 5.730 1.00 54.21 H new ATOM 0 HE2 LYS A 23 -6.736 4.069 4.637 1.00 62.45 H new ATOM 0 HE3 LYS A 23 -7.902 5.377 4.610 1.00 62.45 H new ATOM 0 HZ1 LYS A 23 -6.681 5.801 6.503 1.00 32.43 H new ATOM 0 HZ2 LYS A 23 -8.020 4.976 7.143 1.00 32.43 H new ATOM 0 HZ3 LYS A 23 -6.544 4.164 6.933 1.00 32.43 H new ATOM 389 N GLU A 24 -8.345 0.227 5.547 1.00 64.20 N ATOM 390 CA GLU A 24 -7.953 -0.079 6.931 1.00 32.53 C ATOM 391 C GLU A 24 -7.210 -1.432 7.040 1.00 3.22 C ATOM 392 O GLU A 24 -6.168 -1.525 7.691 1.00 74.10 O ATOM 393 CB GLU A 24 -9.195 -0.049 7.833 1.00 3.13 C ATOM 394 CG GLU A 24 -9.871 1.319 7.861 1.00 63.53 C ATOM 395 CD GLU A 24 -11.154 1.346 8.672 1.00 64.42 C ATOM 396 OE1 GLU A 24 -11.085 1.538 9.904 1.00 24.34 O ATOM 397 OE2 GLU A 24 -12.241 1.182 8.077 1.00 1.22 O ATOM 0 H GLU A 24 -9.350 0.183 5.376 1.00 64.20 H new ATOM 0 HA GLU A 24 -7.250 0.684 7.265 1.00 32.53 H new ATOM 0 HB2 GLU A 24 -9.909 -0.795 7.485 1.00 3.13 H new ATOM 0 HB3 GLU A 24 -8.909 -0.329 8.847 1.00 3.13 H new ATOM 0 HG2 GLU A 24 -9.175 2.050 8.272 1.00 63.53 H new ATOM 0 HG3 GLU A 24 -10.090 1.628 6.839 1.00 63.53 H new ATOM 404 N GLN A 25 -7.739 -2.476 6.393 1.00 2.33 N ATOM 405 CA GLN A 25 -7.053 -3.784 6.336 1.00 22.33 C ATOM 406 C GLN A 25 -5.970 -3.775 5.252 1.00 1.42 C ATOM 407 O GLN A 25 -5.057 -4.601 5.243 1.00 62.31 O ATOM 408 CB GLN A 25 -8.052 -4.914 6.039 1.00 10.44 C ATOM 409 CG GLN A 25 -9.150 -5.065 7.083 1.00 14.42 C ATOM 410 CD GLN A 25 -10.083 -6.232 6.786 1.00 55.10 C ATOM 411 OE1 GLN A 25 -9.856 -7.357 7.219 1.00 71.24 O ATOM 412 NE2 GLN A 25 -11.140 -5.977 6.042 1.00 32.23 N ATOM 0 H GLN A 25 -8.633 -2.448 5.903 1.00 2.33 H new ATOM 0 HA GLN A 25 -6.594 -3.960 7.309 1.00 22.33 H new ATOM 0 HB2 GLN A 25 -8.512 -4.732 5.068 1.00 10.44 H new ATOM 0 HB3 GLN A 25 -7.507 -5.855 5.962 1.00 10.44 H new ATOM 0 HG2 GLN A 25 -8.697 -5.207 8.064 1.00 14.42 H new ATOM 0 HG3 GLN A 25 -9.730 -4.144 7.131 1.00 14.42 H new ATOM 0 HE21 GLN A 25 -11.304 -5.032 5.696 1.00 32.23 H new ATOM 0 HE22 GLN A 25 -11.795 -6.725 5.813 1.00 32.23 H new ATOM 421 N LEU A 26 -6.097 -2.835 4.331 1.00 55.02 N ATOM 422 CA LEU A 26 -5.174 -2.707 3.210 1.00 32.43 C ATOM 423 C LEU A 26 -3.901 -1.921 3.590 1.00 32.31 C ATOM 424 O LEU A 26 -2.801 -2.274 3.166 1.00 72.04 O ATOM 425 CB LEU A 26 -5.918 -2.045 2.038 1.00 73.12 C ATOM 426 CG LEU A 26 -5.044 -1.514 0.889 1.00 31.41 C ATOM 427 CD1 LEU A 26 -4.265 -2.652 0.224 1.00 42.43 C ATOM 428 CD2 LEU A 26 -5.898 -0.772 -0.138 1.00 61.40 C ATOM 0 H LEU A 26 -6.842 -2.138 4.337 1.00 55.02 H new ATOM 0 HA LEU A 26 -4.833 -3.700 2.915 1.00 32.43 H new ATOM 0 HB2 LEU A 26 -6.621 -2.769 1.626 1.00 73.12 H new ATOM 0 HB3 LEU A 26 -6.507 -1.216 2.431 1.00 73.12 H new ATOM 0 HG LEU A 26 -4.324 -0.812 1.308 1.00 31.41 H new ATOM 0 HD11 LEU A 26 -3.655 -2.251 -0.585 1.00 42.43 H new ATOM 0 HD12 LEU A 26 -3.621 -3.131 0.961 1.00 42.43 H new ATOM 0 HD13 LEU A 26 -4.964 -3.385 -0.178 1.00 42.43 H new ATOM 0 HD21 LEU A 26 -5.262 -0.404 -0.943 1.00 61.40 H new ATOM 0 HD22 LEU A 26 -6.646 -1.451 -0.548 1.00 61.40 H new ATOM 0 HD23 LEU A 26 -6.397 0.069 0.343 1.00 61.40 H new ATOM 440 N GLU A 27 -4.047 -0.885 4.412 1.00 11.11 N ATOM 441 CA GLU A 27 -2.915 -0.023 4.775 1.00 14.34 C ATOM 442 C GLU A 27 -1.954 -0.718 5.750 1.00 61.12 C ATOM 443 O GLU A 27 -0.740 -0.570 5.637 1.00 51.53 O ATOM 444 CB GLU A 27 -3.405 1.303 5.384 1.00 44.20 C ATOM 445 CG GLU A 27 -4.057 1.174 6.765 1.00 63.21 C ATOM 446 CD GLU A 27 -4.591 2.500 7.291 1.00 53.34 C ATOM 447 OE1 GLU A 27 -3.775 3.372 7.659 1.00 31.54 O ATOM 448 OE2 GLU A 27 -5.824 2.681 7.347 1.00 70.02 O ATOM 0 H GLU A 27 -4.934 -0.619 4.841 1.00 11.11 H new ATOM 0 HA GLU A 27 -2.371 0.186 3.854 1.00 14.34 H new ATOM 0 HB2 GLU A 27 -2.559 1.986 5.460 1.00 44.20 H new ATOM 0 HB3 GLU A 27 -4.122 1.758 4.700 1.00 44.20 H new ATOM 0 HG2 GLU A 27 -4.874 0.454 6.710 1.00 63.21 H new ATOM 0 HG3 GLU A 27 -3.328 0.776 7.470 1.00 63.21 H new ATOM 455 N GLU A 28 -2.500 -1.488 6.695 1.00 62.11 N ATOM 456 CA GLU A 28 -1.694 -2.142 7.744 1.00 41.23 C ATOM 457 C GLU A 28 -0.485 -2.902 7.166 1.00 51.24 C ATOM 458 O GLU A 28 0.618 -2.849 7.715 1.00 32.14 O ATOM 459 CB GLU A 28 -2.564 -3.102 8.570 1.00 62.04 C ATOM 460 CG GLU A 28 -3.202 -4.229 7.763 1.00 22.03 C ATOM 461 CD GLU A 28 -3.911 -5.245 8.643 1.00 0.25 C ATOM 462 OE1 GLU A 28 -5.096 -5.031 8.979 1.00 51.02 O ATOM 463 OE2 GLU A 28 -3.286 -6.263 9.007 1.00 12.11 O ATOM 0 H GLU A 28 -3.500 -1.678 6.760 1.00 62.11 H new ATOM 0 HA GLU A 28 -1.310 -1.350 8.387 1.00 41.23 H new ATOM 0 HB2 GLU A 28 -1.952 -3.538 9.360 1.00 62.04 H new ATOM 0 HB3 GLU A 28 -3.353 -2.529 9.058 1.00 62.04 H new ATOM 0 HG2 GLU A 28 -3.915 -3.806 7.055 1.00 22.03 H new ATOM 0 HG3 GLU A 28 -2.433 -4.733 7.178 1.00 22.03 H new ATOM 470 N GLN A 29 -0.704 -3.594 6.054 1.00 3.30 N ATOM 471 CA GLN A 29 0.345 -4.387 5.399 1.00 55.33 C ATOM 472 C GLN A 29 1.193 -3.533 4.439 1.00 20.32 C ATOM 473 O GLN A 29 2.225 -3.982 3.939 1.00 32.12 O ATOM 474 CB GLN A 29 -0.293 -5.579 4.662 1.00 41.11 C ATOM 475 CG GLN A 29 -1.443 -5.190 3.734 1.00 22.04 C ATOM 476 CD GLN A 29 -2.242 -6.387 3.240 1.00 45.35 C ATOM 477 OE1 GLN A 29 -1.712 -7.475 3.053 1.00 1.13 O ATOM 478 NE2 GLN A 29 -3.534 -6.198 3.052 1.00 2.42 N ATOM 0 H GLN A 29 -1.606 -3.625 5.579 1.00 3.30 H new ATOM 0 HA GLN A 29 1.021 -4.762 6.167 1.00 55.33 H new ATOM 0 HB2 GLN A 29 0.476 -6.086 4.079 1.00 41.11 H new ATOM 0 HB3 GLN A 29 -0.659 -6.295 5.398 1.00 41.11 H new ATOM 0 HG2 GLN A 29 -2.111 -4.507 4.259 1.00 22.04 H new ATOM 0 HG3 GLN A 29 -1.043 -4.649 2.877 1.00 22.04 H new ATOM 0 HE21 GLN A 29 -3.944 -5.279 3.217 1.00 2.42 H new ATOM 0 HE22 GLN A 29 -4.123 -6.971 2.742 1.00 2.42 H new ATOM 487 N LEU A 30 0.755 -2.298 4.199 1.00 15.14 N ATOM 488 CA LEU A 30 1.488 -1.354 3.345 1.00 63.32 C ATOM 489 C LEU A 30 2.232 -0.287 4.178 1.00 31.25 C ATOM 490 O LEU A 30 3.068 0.447 3.653 1.00 31.41 O ATOM 491 CB LEU A 30 0.523 -0.670 2.364 1.00 63.15 C ATOM 492 CG LEU A 30 -0.208 -1.610 1.390 1.00 50.20 C ATOM 493 CD1 LEU A 30 -1.095 -0.813 0.439 1.00 12.24 C ATOM 494 CD2 LEU A 30 0.790 -2.470 0.614 1.00 60.31 C ATOM 0 H LEU A 30 -0.111 -1.922 4.586 1.00 15.14 H new ATOM 0 HA LEU A 30 2.233 -1.923 2.788 1.00 63.32 H new ATOM 0 HB2 LEU A 30 -0.222 -0.120 2.939 1.00 63.15 H new ATOM 0 HB3 LEU A 30 1.082 0.063 1.783 1.00 63.15 H new ATOM 0 HG LEU A 30 -0.846 -2.276 1.971 1.00 50.20 H new ATOM 0 HD11 LEU A 30 -1.604 -1.495 -0.242 1.00 12.24 H new ATOM 0 HD12 LEU A 30 -1.835 -0.255 1.013 1.00 12.24 H new ATOM 0 HD13 LEU A 30 -0.481 -0.118 -0.135 1.00 12.24 H new ATOM 0 HD21 LEU A 30 0.251 -3.127 -0.069 1.00 60.31 H new ATOM 0 HD22 LEU A 30 1.460 -1.826 0.044 1.00 60.31 H new ATOM 0 HD23 LEU A 30 1.372 -3.071 1.312 1.00 60.31 H new ATOM 506 N ARG A 31 1.931 -0.200 5.483 1.00 63.24 N ATOM 507 CA ARG A 31 2.609 0.771 6.361 1.00 44.10 C ATOM 508 C ARG A 31 3.194 0.146 7.660 1.00 32.33 C ATOM 509 O ARG A 31 3.279 0.835 8.677 1.00 43.20 O ATOM 510 CB ARG A 31 1.648 1.938 6.699 1.00 15.34 C ATOM 511 CG ARG A 31 0.335 1.530 7.384 1.00 44.30 C ATOM 512 CD ARG A 31 0.438 1.486 8.909 1.00 32.33 C ATOM 513 NE ARG A 31 -0.786 0.988 9.531 1.00 25.42 N ATOM 514 CZ ARG A 31 -1.803 1.738 9.865 1.00 24.34 C ATOM 515 NH1 ARG A 31 -1.779 3.015 9.654 1.00 25.23 N ATOM 516 NH2 ARG A 31 -2.848 1.211 10.416 1.00 1.15 N ATOM 0 H ARG A 31 1.234 -0.780 5.950 1.00 63.24 H new ATOM 0 HA ARG A 31 3.467 1.145 5.803 1.00 44.10 H new ATOM 0 HB2 ARG A 31 2.172 2.643 7.345 1.00 15.34 H new ATOM 0 HB3 ARG A 31 1.408 2.468 5.777 1.00 15.34 H new ATOM 0 HG2 ARG A 31 -0.449 2.232 7.100 1.00 44.30 H new ATOM 0 HG3 ARG A 31 0.032 0.549 7.019 1.00 44.30 H new ATOM 0 HD2 ARG A 31 1.275 0.849 9.197 1.00 32.33 H new ATOM 0 HD3 ARG A 31 0.654 2.486 9.286 1.00 32.33 H new ATOM 0 HE ARG A 31 -0.852 -0.013 9.717 1.00 25.42 H new ATOM 0 HH11 ARG A 31 -0.961 3.445 9.223 1.00 25.23 H new ATOM 0 HH12 ARG A 31 -2.578 3.591 9.919 1.00 25.23 H new ATOM 0 HH21 ARG A 31 -2.880 0.207 10.591 1.00 1.15 H new ATOM 0 HH22 ARG A 31 -3.640 1.800 10.675 1.00 1.15 H new ATOM 530 N PRO A 32 3.686 -1.124 7.653 1.00 63.34 N ATOM 531 CA PRO A 32 4.276 -1.743 8.862 1.00 64.11 C ATOM 532 C PRO A 32 5.709 -1.246 9.139 1.00 22.12 C ATOM 533 O PRO A 32 6.437 -1.821 9.945 1.00 33.33 O ATOM 534 CB PRO A 32 4.279 -3.233 8.510 1.00 34.34 C ATOM 535 CG PRO A 32 4.475 -3.255 7.033 1.00 45.31 C ATOM 536 CD PRO A 32 3.733 -2.053 6.500 1.00 41.23 C ATOM 0 HA PRO A 32 3.719 -1.500 9.767 1.00 64.11 H new ATOM 0 HB2 PRO A 32 5.079 -3.763 9.027 1.00 34.34 H new ATOM 0 HB3 PRO A 32 3.343 -3.712 8.795 1.00 34.34 H new ATOM 0 HG2 PRO A 32 5.534 -3.205 6.779 1.00 45.31 H new ATOM 0 HG3 PRO A 32 4.086 -4.177 6.601 1.00 45.31 H new ATOM 0 HD2 PRO A 32 4.250 -1.609 5.650 1.00 41.23 H new ATOM 0 HD3 PRO A 32 2.732 -2.319 6.160 1.00 41.23 H new ATOM 544 N LEU A 33 6.092 -0.170 8.459 1.00 12.20 N ATOM 545 CA LEU A 33 7.426 0.432 8.587 1.00 44.02 C ATOM 546 C LEU A 33 7.671 0.960 10.018 1.00 10.53 C ATOM 547 O LEU A 33 6.725 1.336 10.716 1.00 34.43 O ATOM 548 CB LEU A 33 7.574 1.576 7.565 1.00 43.22 C ATOM 549 CG LEU A 33 7.610 1.182 6.068 1.00 32.11 C ATOM 550 CD1 LEU A 33 6.364 0.410 5.647 1.00 54.03 C ATOM 551 CD2 LEU A 33 7.772 2.430 5.204 1.00 24.22 C ATOM 0 H LEU A 33 5.486 0.316 7.798 1.00 12.20 H new ATOM 0 HA LEU A 33 8.172 -0.337 8.386 1.00 44.02 H new ATOM 0 HB2 LEU A 33 6.747 2.271 7.712 1.00 43.22 H new ATOM 0 HB3 LEU A 33 8.491 2.119 7.794 1.00 43.22 H new ATOM 0 HG LEU A 33 8.466 0.523 5.923 1.00 32.11 H new ATOM 0 HD11 LEU A 33 6.434 0.155 4.590 1.00 54.03 H new ATOM 0 HD12 LEU A 33 6.286 -0.504 6.236 1.00 54.03 H new ATOM 0 HD13 LEU A 33 5.480 1.026 5.814 1.00 54.03 H new ATOM 0 HD21 LEU A 33 7.796 2.144 4.152 1.00 24.22 H new ATOM 0 HD22 LEU A 33 6.933 3.104 5.377 1.00 24.22 H new ATOM 0 HD23 LEU A 33 8.702 2.935 5.464 1.00 24.22 H new ATOM 563 N PRO A 34 8.940 0.991 10.475 1.00 14.25 N ATOM 564 CA PRO A 34 9.288 1.420 11.848 1.00 23.43 C ATOM 565 C PRO A 34 9.009 2.912 12.134 1.00 72.42 C ATOM 566 O PRO A 34 8.336 3.251 13.111 1.00 35.41 O ATOM 567 CB PRO A 34 10.794 1.126 11.941 1.00 31.12 C ATOM 568 CG PRO A 34 11.274 1.132 10.528 1.00 64.11 C ATOM 569 CD PRO A 34 10.137 0.593 9.704 1.00 2.12 C ATOM 0 HA PRO A 34 8.679 0.896 12.585 1.00 23.43 H new ATOM 0 HB2 PRO A 34 11.308 1.881 12.536 1.00 31.12 H new ATOM 0 HB3 PRO A 34 10.980 0.163 12.417 1.00 31.12 H new ATOM 0 HG2 PRO A 34 11.543 2.140 10.211 1.00 64.11 H new ATOM 0 HG3 PRO A 34 12.165 0.514 10.416 1.00 64.11 H new ATOM 0 HD2 PRO A 34 10.130 1.019 8.701 1.00 2.12 H new ATOM 0 HD3 PRO A 34 10.201 -0.489 9.590 1.00 2.12 H new ATOM 577 N ALA A 35 9.534 3.802 11.287 1.00 43.23 N ATOM 578 CA ALA A 35 9.400 5.251 11.498 1.00 71.44 C ATOM 579 C ALA A 35 9.311 6.006 10.164 1.00 1.54 C ATOM 580 O ALA A 35 10.299 6.108 9.427 1.00 4.41 O ATOM 581 CB ALA A 35 10.573 5.772 12.322 1.00 1.32 C ATOM 0 H ALA A 35 10.056 3.547 10.448 1.00 43.23 H new ATOM 0 HA ALA A 35 8.473 5.427 12.044 1.00 71.44 H new ATOM 0 HB1 ALA A 35 10.464 6.846 12.472 1.00 1.32 H new ATOM 0 HB2 ALA A 35 10.589 5.270 13.289 1.00 1.32 H new ATOM 0 HB3 ALA A 35 11.506 5.573 11.794 1.00 1.32 H new ATOM 587 N HIS A 36 8.131 6.554 9.865 1.00 43.33 N ATOM 588 CA HIS A 36 7.881 7.179 8.561 1.00 55.04 C ATOM 589 C HIS A 36 6.537 7.924 8.527 1.00 3.24 C ATOM 590 O HIS A 36 5.848 8.058 9.534 1.00 54.41 O ATOM 591 CB HIS A 36 7.868 6.100 7.469 1.00 51.33 C ATOM 592 CG HIS A 36 6.671 5.202 7.561 1.00 12.43 C ATOM 593 ND1 HIS A 36 5.760 5.053 6.537 1.00 3.42 N ATOM 594 CD2 HIS A 36 6.224 4.421 8.574 1.00 10.42 C ATOM 595 CE1 HIS A 36 4.808 4.224 6.914 1.00 21.21 C ATOM 596 NE2 HIS A 36 5.064 3.826 8.145 1.00 61.14 N ATOM 0 H HIS A 36 7.336 6.579 10.504 1.00 43.33 H new ATOM 0 HA HIS A 36 8.679 7.901 8.387 1.00 55.04 H new ATOM 0 HB2 HIS A 36 7.884 6.579 6.490 1.00 51.33 H new ATOM 0 HB3 HIS A 36 8.775 5.500 7.545 1.00 51.33 H new ATOM 0 HD1 HIS A 36 5.815 5.513 5.628 1.00 3.42 H new ATOM 0 HD2 HIS A 36 6.693 4.291 9.538 1.00 10.42 H new ATOM 0 HE1 HIS A 36 3.961 3.921 6.316 1.00 21.21 H new ATOM 605 N ASP A 37 6.182 8.384 7.334 1.00 14.24 N ATOM 606 CA ASP A 37 4.873 8.975 7.053 1.00 75.43 C ATOM 607 C ASP A 37 4.099 8.060 6.080 1.00 51.33 C ATOM 608 O ASP A 37 4.713 7.316 5.316 1.00 42.35 O ATOM 609 CB ASP A 37 5.098 10.367 6.452 1.00 14.44 C ATOM 610 CG ASP A 37 3.817 11.060 6.032 1.00 64.24 C ATOM 611 OD1 ASP A 37 3.079 11.543 6.913 1.00 22.23 O ATOM 612 OD2 ASP A 37 3.549 11.133 4.817 1.00 15.21 O ATOM 0 H ASP A 37 6.800 8.358 6.523 1.00 14.24 H new ATOM 0 HA ASP A 37 4.281 9.072 7.963 1.00 75.43 H new ATOM 0 HB2 ASP A 37 5.616 10.989 7.182 1.00 14.44 H new ATOM 0 HB3 ASP A 37 5.754 10.278 5.586 1.00 14.44 H new ATOM 617 N TYR A 38 2.767 8.072 6.121 1.00 20.22 N ATOM 618 CA TYR A 38 1.970 7.256 5.186 1.00 62.24 C ATOM 619 C TYR A 38 1.029 8.118 4.328 1.00 73.22 C ATOM 620 O TYR A 38 0.550 9.167 4.760 1.00 24.51 O ATOM 621 CB TYR A 38 1.199 6.148 5.925 1.00 23.02 C ATOM 622 CG TYR A 38 0.461 6.599 7.173 1.00 30.22 C ATOM 623 CD1 TYR A 38 -0.813 7.154 7.099 1.00 11.23 C ATOM 624 CD2 TYR A 38 1.038 6.450 8.434 1.00 52.34 C ATOM 625 CE1 TYR A 38 -1.486 7.547 8.239 1.00 33.10 C ATOM 626 CE2 TYR A 38 0.369 6.844 9.577 1.00 23.11 C ATOM 627 CZ TYR A 38 -0.892 7.392 9.474 1.00 21.23 C ATOM 628 OH TYR A 38 -1.567 7.778 10.608 1.00 25.42 O ATOM 0 H TYR A 38 2.218 8.626 6.778 1.00 20.22 H new ATOM 0 HA TYR A 38 2.671 6.774 4.505 1.00 62.24 H new ATOM 0 HB2 TYR A 38 0.479 5.706 5.236 1.00 23.02 H new ATOM 0 HB3 TYR A 38 1.901 5.361 6.201 1.00 23.02 H new ATOM 0 HD1 TYR A 38 -1.283 7.279 6.135 1.00 11.23 H new ATOM 0 HD2 TYR A 38 2.025 6.019 8.519 1.00 52.34 H new ATOM 0 HE1 TYR A 38 -2.475 7.975 8.164 1.00 33.10 H new ATOM 0 HE2 TYR A 38 0.831 6.723 10.546 1.00 23.11 H new ATOM 0 HH TYR A 38 -1.011 7.601 11.396 1.00 25.42 H new ATOM 638 N PHE A 39 0.770 7.651 3.107 1.00 61.32 N ATOM 639 CA PHE A 39 0.055 8.438 2.093 1.00 72.43 C ATOM 640 C PHE A 39 -1.430 8.003 1.983 1.00 5.23 C ATOM 641 O PHE A 39 -2.053 7.629 2.977 1.00 41.21 O ATOM 642 CB PHE A 39 0.782 8.269 0.741 1.00 74.32 C ATOM 643 CG PHE A 39 0.888 9.535 -0.086 1.00 42.02 C ATOM 644 CD1 PHE A 39 -0.225 10.331 -0.334 1.00 54.43 C ATOM 645 CD2 PHE A 39 2.108 9.920 -0.629 1.00 71.31 C ATOM 646 CE1 PHE A 39 -0.121 11.475 -1.099 1.00 3.42 C ATOM 647 CE2 PHE A 39 2.214 11.067 -1.394 1.00 21.23 C ATOM 648 CZ PHE A 39 1.099 11.844 -1.629 1.00 73.34 C ATOM 0 H PHE A 39 1.047 6.722 2.790 1.00 61.32 H new ATOM 0 HA PHE A 39 0.055 9.488 2.384 1.00 72.43 H new ATOM 0 HB2 PHE A 39 1.786 7.890 0.929 1.00 74.32 H new ATOM 0 HB3 PHE A 39 0.260 7.512 0.156 1.00 74.32 H new ATOM 0 HD1 PHE A 39 -1.183 10.050 0.077 1.00 54.43 H new ATOM 0 HD2 PHE A 39 2.985 9.315 -0.451 1.00 71.31 H new ATOM 0 HE1 PHE A 39 -0.995 12.082 -1.283 1.00 3.42 H new ATOM 0 HE2 PHE A 39 3.170 11.354 -1.807 1.00 21.23 H new ATOM 0 HZ PHE A 39 1.180 12.740 -2.227 1.00 73.34 H new ATOM 658 N GLU A 40 -1.985 8.058 0.769 1.00 33.44 N ATOM 659 CA GLU A 40 -3.402 7.755 0.531 1.00 43.12 C ATOM 660 C GLU A 40 -3.630 6.267 0.195 1.00 33.22 C ATOM 661 O GLU A 40 -2.783 5.616 -0.422 1.00 31.34 O ATOM 662 CB GLU A 40 -3.925 8.643 -0.611 1.00 0.25 C ATOM 663 CG GLU A 40 -3.143 8.488 -1.912 1.00 24.33 C ATOM 664 CD GLU A 40 -3.611 9.433 -3.009 1.00 52.20 C ATOM 665 OE1 GLU A 40 -4.620 9.120 -3.680 1.00 52.42 O ATOM 666 OE2 GLU A 40 -2.974 10.491 -3.203 1.00 75.13 O ATOM 0 H GLU A 40 -1.469 8.312 -0.073 1.00 33.44 H new ATOM 0 HA GLU A 40 -3.951 7.963 1.449 1.00 43.12 H new ATOM 0 HB2 GLU A 40 -4.972 8.404 -0.796 1.00 0.25 H new ATOM 0 HB3 GLU A 40 -3.887 9.686 -0.296 1.00 0.25 H new ATOM 0 HG2 GLU A 40 -2.085 8.665 -1.716 1.00 24.33 H new ATOM 0 HG3 GLU A 40 -3.235 7.460 -2.263 1.00 24.33 H new ATOM 673 N PHE A 41 -4.781 5.740 0.613 1.00 73.40 N ATOM 674 CA PHE A 41 -5.146 4.338 0.352 1.00 4.51 C ATOM 675 C PHE A 41 -6.587 4.244 -0.186 1.00 1.50 C ATOM 676 O PHE A 41 -7.425 5.096 0.119 1.00 43.11 O ATOM 677 CB PHE A 41 -5.016 3.507 1.640 1.00 13.22 C ATOM 678 CG PHE A 41 -3.649 3.568 2.283 1.00 25.13 C ATOM 679 CD1 PHE A 41 -2.643 2.692 1.898 1.00 65.03 C ATOM 680 CD2 PHE A 41 -3.370 4.502 3.275 1.00 72.55 C ATOM 681 CE1 PHE A 41 -1.391 2.748 2.483 1.00 22.22 C ATOM 682 CE2 PHE A 41 -2.120 4.560 3.863 1.00 41.25 C ATOM 683 CZ PHE A 41 -1.129 3.682 3.465 1.00 31.10 C ATOM 0 H PHE A 41 -5.483 6.262 1.137 1.00 73.40 H new ATOM 0 HA PHE A 41 -4.465 3.941 -0.400 1.00 4.51 H new ATOM 0 HB2 PHE A 41 -5.759 3.853 2.359 1.00 13.22 H new ATOM 0 HB3 PHE A 41 -5.252 2.467 1.413 1.00 13.22 H new ATOM 0 HD1 PHE A 41 -2.841 1.957 1.132 1.00 65.03 H new ATOM 0 HD2 PHE A 41 -4.140 5.191 3.590 1.00 72.55 H new ATOM 0 HE1 PHE A 41 -0.618 2.061 2.171 1.00 22.22 H new ATOM 0 HE2 PHE A 41 -1.918 5.290 4.632 1.00 41.25 H new ATOM 0 HZ PHE A 41 -0.151 3.727 3.922 1.00 31.10 H new ATOM 693 N PHE A 42 -6.883 3.205 -0.972 1.00 64.53 N ATOM 694 CA PHE A 42 -8.226 3.045 -1.562 1.00 51.50 C ATOM 695 C PHE A 42 -9.030 1.929 -0.865 1.00 54.05 C ATOM 696 O PHE A 42 -8.496 1.186 -0.043 1.00 11.10 O ATOM 697 CB PHE A 42 -8.118 2.762 -3.075 1.00 31.40 C ATOM 698 CG PHE A 42 -7.720 1.342 -3.431 1.00 41.11 C ATOM 699 CD1 PHE A 42 -6.392 0.930 -3.376 1.00 55.41 C ATOM 700 CD2 PHE A 42 -8.684 0.420 -3.830 1.00 63.44 C ATOM 701 CE1 PHE A 42 -6.041 -0.366 -3.709 1.00 1.52 C ATOM 702 CE2 PHE A 42 -8.333 -0.875 -4.162 1.00 11.10 C ATOM 703 CZ PHE A 42 -7.012 -1.267 -4.102 1.00 63.02 C ATOM 0 H PHE A 42 -6.223 2.467 -1.216 1.00 64.53 H new ATOM 0 HA PHE A 42 -8.764 3.981 -1.411 1.00 51.50 H new ATOM 0 HB2 PHE A 42 -9.078 2.983 -3.541 1.00 31.40 H new ATOM 0 HB3 PHE A 42 -7.389 3.448 -3.507 1.00 31.40 H new ATOM 0 HD1 PHE A 42 -5.628 1.629 -3.070 1.00 55.41 H new ATOM 0 HD2 PHE A 42 -9.720 0.721 -3.881 1.00 63.44 H new ATOM 0 HE1 PHE A 42 -5.007 -0.674 -3.662 1.00 1.52 H new ATOM 0 HE2 PHE A 42 -9.092 -1.579 -4.468 1.00 11.10 H new ATOM 0 HZ PHE A 42 -6.737 -2.278 -4.362 1.00 63.02 H new ATOM 713 N ALA A 43 -10.316 1.818 -1.201 1.00 50.25 N ATOM 714 CA ALA A 43 -11.190 0.793 -0.612 1.00 24.03 C ATOM 715 C ALA A 43 -12.280 0.344 -1.600 1.00 4.02 C ATOM 716 O ALA A 43 -12.904 1.175 -2.265 1.00 75.30 O ATOM 717 CB ALA A 43 -11.825 1.324 0.669 1.00 24.33 C ATOM 0 H ALA A 43 -10.779 2.424 -1.878 1.00 50.25 H new ATOM 0 HA ALA A 43 -10.577 -0.077 -0.377 1.00 24.03 H new ATOM 0 HB1 ALA A 43 -12.471 0.559 1.099 1.00 24.33 H new ATOM 0 HB2 ALA A 43 -11.043 1.582 1.383 1.00 24.33 H new ATOM 0 HB3 ALA A 43 -12.416 2.211 0.442 1.00 24.33 H new ATOM 723 N ALA A 44 -12.511 -0.965 -1.685 1.00 62.15 N ATOM 724 CA ALA A 44 -13.525 -1.516 -2.597 1.00 43.00 C ATOM 725 C ALA A 44 -13.920 -2.954 -2.217 1.00 34.41 C ATOM 726 O ALA A 44 -13.078 -3.745 -1.787 1.00 53.21 O ATOM 727 CB ALA A 44 -13.020 -1.467 -4.037 1.00 70.14 C ATOM 0 H ALA A 44 -12.013 -1.667 -1.137 1.00 62.15 H new ATOM 0 HA ALA A 44 -14.419 -0.898 -2.508 1.00 43.00 H new ATOM 0 HB1 ALA A 44 -13.779 -1.877 -4.703 1.00 70.14 H new ATOM 0 HB2 ALA A 44 -12.814 -0.434 -4.315 1.00 70.14 H new ATOM 0 HB3 ALA A 44 -12.106 -2.055 -4.122 1.00 70.14 H new ATOM 733 N ASP A 45 -15.205 -3.281 -2.391 1.00 62.23 N ATOM 734 CA ASP A 45 -15.738 -4.613 -2.054 1.00 64.53 C ATOM 735 C ASP A 45 -15.140 -5.733 -2.931 1.00 3.10 C ATOM 736 O ASP A 45 -14.406 -5.479 -3.887 1.00 5.50 O ATOM 737 CB ASP A 45 -17.266 -4.620 -2.198 1.00 73.02 C ATOM 738 CG ASP A 45 -17.963 -3.781 -1.142 1.00 23.14 C ATOM 739 OD1 ASP A 45 -17.960 -2.536 -1.257 1.00 75.10 O ATOM 740 OD2 ASP A 45 -18.528 -4.364 -0.193 1.00 24.51 O ATOM 0 H ASP A 45 -15.903 -2.639 -2.766 1.00 62.23 H new ATOM 0 HA ASP A 45 -15.452 -4.814 -1.021 1.00 64.53 H new ATOM 0 HB2 ASP A 45 -17.534 -4.247 -3.186 1.00 73.02 H new ATOM 0 HB3 ASP A 45 -17.627 -5.647 -2.136 1.00 73.02 H new ATOM 745 N LEU A 46 -15.479 -6.981 -2.594 1.00 44.12 N ATOM 746 CA LEU A 46 -15.021 -8.151 -3.357 1.00 12.15 C ATOM 747 C LEU A 46 -16.204 -8.916 -3.971 1.00 63.30 C ATOM 748 O LEU A 46 -17.357 -8.492 -3.852 1.00 51.45 O ATOM 749 CB LEU A 46 -14.188 -9.099 -2.469 1.00 52.12 C ATOM 750 CG LEU A 46 -14.924 -9.779 -1.292 1.00 40.34 C ATOM 751 CD1 LEU A 46 -14.054 -10.879 -0.683 1.00 32.13 C ATOM 752 CD2 LEU A 46 -15.313 -8.762 -0.218 1.00 5.13 C ATOM 0 H LEU A 46 -16.071 -7.210 -1.795 1.00 44.12 H new ATOM 0 HA LEU A 46 -14.390 -7.783 -4.166 1.00 12.15 H new ATOM 0 HB2 LEU A 46 -13.770 -9.880 -3.105 1.00 52.12 H new ATOM 0 HB3 LEU A 46 -13.348 -8.534 -2.064 1.00 52.12 H new ATOM 0 HG LEU A 46 -15.838 -10.225 -1.684 1.00 40.34 H new ATOM 0 HD11 LEU A 46 -14.587 -11.348 0.144 1.00 32.13 H new ATOM 0 HD12 LEU A 46 -13.831 -11.629 -1.442 1.00 32.13 H new ATOM 0 HD13 LEU A 46 -13.123 -10.446 -0.316 1.00 32.13 H new ATOM 0 HD21 LEU A 46 -15.829 -9.272 0.596 1.00 5.13 H new ATOM 0 HD22 LEU A 46 -14.415 -8.279 0.168 1.00 5.13 H new ATOM 0 HD23 LEU A 46 -15.973 -8.010 -0.651 1.00 5.13 H new ATOM 764 N SER A 47 -15.903 -10.041 -4.631 1.00 54.40 N ATOM 765 CA SER A 47 -16.918 -10.905 -5.279 1.00 52.33 C ATOM 766 C SER A 47 -17.470 -10.283 -6.575 1.00 14.15 C ATOM 767 O SER A 47 -17.541 -10.949 -7.609 1.00 51.03 O ATOM 768 CB SER A 47 -18.081 -11.226 -4.322 1.00 72.02 C ATOM 769 OG SER A 47 -17.613 -11.708 -3.070 1.00 64.10 O ATOM 0 H SER A 47 -14.949 -10.385 -4.735 1.00 54.40 H new ATOM 0 HA SER A 47 -16.407 -11.832 -5.538 1.00 52.33 H new ATOM 0 HB2 SER A 47 -18.682 -10.330 -4.166 1.00 72.02 H new ATOM 0 HB3 SER A 47 -18.733 -11.971 -4.778 1.00 72.02 H new ATOM 0 HG SER A 47 -18.377 -11.900 -2.487 1.00 64.10 H new ATOM 775 N LEU A 48 -17.875 -9.014 -6.510 1.00 15.12 N ATOM 776 CA LEU A 48 -18.390 -8.292 -7.681 1.00 74.53 C ATOM 777 C LEU A 48 -17.261 -8.062 -8.707 1.00 63.34 C ATOM 778 O LEU A 48 -16.143 -7.706 -8.332 1.00 25.33 O ATOM 779 CB LEU A 48 -19.004 -6.950 -7.219 1.00 1.33 C ATOM 780 CG LEU A 48 -20.047 -6.298 -8.159 1.00 11.12 C ATOM 781 CD1 LEU A 48 -20.778 -5.164 -7.437 1.00 64.22 C ATOM 782 CD2 LEU A 48 -19.402 -5.766 -9.439 1.00 4.34 C ATOM 0 H LEU A 48 -17.857 -8.459 -5.654 1.00 15.12 H new ATOM 0 HA LEU A 48 -19.164 -8.885 -8.168 1.00 74.53 H new ATOM 0 HB2 LEU A 48 -19.474 -7.108 -6.248 1.00 1.33 H new ATOM 0 HB3 LEU A 48 -18.192 -6.239 -7.068 1.00 1.33 H new ATOM 0 HG LEU A 48 -20.762 -7.071 -8.439 1.00 11.12 H new ATOM 0 HD11 LEU A 48 -21.508 -4.715 -8.110 1.00 64.22 H new ATOM 0 HD12 LEU A 48 -21.289 -5.561 -6.560 1.00 64.22 H new ATOM 0 HD13 LEU A 48 -20.058 -4.407 -7.126 1.00 64.22 H new ATOM 0 HD21 LEU A 48 -20.167 -5.316 -10.072 1.00 4.34 H new ATOM 0 HD22 LEU A 48 -18.654 -5.015 -9.185 1.00 4.34 H new ATOM 0 HD23 LEU A 48 -18.925 -6.587 -9.974 1.00 4.34 H new ATOM 794 N TYR A 49 -17.558 -8.276 -9.993 1.00 3.11 N ATOM 795 CA TYR A 49 -16.556 -8.139 -11.062 1.00 63.15 C ATOM 796 C TYR A 49 -15.821 -6.780 -11.006 1.00 43.54 C ATOM 797 O TYR A 49 -16.416 -5.748 -10.674 1.00 71.24 O ATOM 798 CB TYR A 49 -17.206 -8.348 -12.442 1.00 32.35 C ATOM 799 CG TYR A 49 -18.391 -7.441 -12.735 1.00 14.40 C ATOM 800 CD1 TYR A 49 -18.212 -6.179 -13.297 1.00 43.31 C ATOM 801 CD2 TYR A 49 -19.690 -7.855 -12.457 1.00 31.22 C ATOM 802 CE1 TYR A 49 -19.291 -5.358 -13.570 1.00 2.25 C ATOM 803 CE2 TYR A 49 -20.772 -7.039 -12.728 1.00 34.21 C ATOM 804 CZ TYR A 49 -20.568 -5.794 -13.284 1.00 11.32 C ATOM 805 OH TYR A 49 -21.647 -4.979 -13.550 1.00 73.23 O ATOM 0 H TYR A 49 -18.485 -8.545 -10.322 1.00 3.11 H new ATOM 0 HA TYR A 49 -15.807 -8.915 -10.903 1.00 63.15 H new ATOM 0 HB2 TYR A 49 -16.449 -8.193 -13.211 1.00 32.35 H new ATOM 0 HB3 TYR A 49 -17.532 -9.385 -12.520 1.00 32.35 H new ATOM 0 HD1 TYR A 49 -17.213 -5.836 -13.523 1.00 43.31 H new ATOM 0 HD2 TYR A 49 -19.855 -8.830 -12.022 1.00 31.22 H new ATOM 0 HE1 TYR A 49 -19.135 -4.382 -14.004 1.00 2.25 H new ATOM 0 HE2 TYR A 49 -21.774 -7.375 -12.505 1.00 34.21 H new ATOM 0 HH TYR A 49 -22.474 -5.436 -13.291 1.00 73.23 H new ATOM 815 N PRO A 50 -14.514 -6.766 -11.340 1.00 41.25 N ATOM 816 CA PRO A 50 -13.673 -5.559 -11.224 1.00 20.24 C ATOM 817 C PRO A 50 -14.087 -4.418 -12.174 1.00 23.10 C ATOM 818 O PRO A 50 -13.493 -4.218 -13.232 1.00 63.33 O ATOM 819 CB PRO A 50 -12.263 -6.072 -11.556 1.00 13.21 C ATOM 820 CG PRO A 50 -12.490 -7.290 -12.388 1.00 40.01 C ATOM 821 CD PRO A 50 -13.752 -7.919 -11.861 1.00 25.30 C ATOM 0 HA PRO A 50 -13.759 -5.112 -10.234 1.00 20.24 H new ATOM 0 HB2 PRO A 50 -11.687 -5.323 -12.099 1.00 13.21 H new ATOM 0 HB3 PRO A 50 -11.704 -6.309 -10.651 1.00 13.21 H new ATOM 0 HG2 PRO A 50 -12.593 -7.030 -13.441 1.00 40.01 H new ATOM 0 HG3 PRO A 50 -11.648 -7.978 -12.311 1.00 40.01 H new ATOM 0 HD2 PRO A 50 -14.299 -8.441 -12.646 1.00 25.30 H new ATOM 0 HD3 PRO A 50 -13.542 -8.649 -11.079 1.00 25.30 H new ATOM 829 N HIS A 51 -15.121 -3.675 -11.780 1.00 62.32 N ATOM 830 CA HIS A 51 -15.560 -2.485 -12.526 1.00 55.15 C ATOM 831 C HIS A 51 -14.708 -1.256 -12.161 1.00 45.02 C ATOM 832 O HIS A 51 -14.984 -0.138 -12.595 1.00 31.33 O ATOM 833 CB HIS A 51 -17.040 -2.198 -12.234 1.00 40.24 C ATOM 834 CG HIS A 51 -17.321 -1.900 -10.790 1.00 52.41 C ATOM 835 ND1 HIS A 51 -17.536 -2.725 -9.735 1.00 31.22 N flip ATOM 836 CD2 HIS A 51 -17.404 -0.619 -10.285 1.00 72.13 C flip ATOM 837 CE1 HIS A 51 -17.739 -1.932 -8.636 1.00 61.13 C flip ATOM 838 NE2 HIS A 51 -17.653 -0.669 -8.993 1.00 51.41 N flip ATOM 0 H HIS A 51 -15.675 -3.873 -10.947 1.00 62.32 H new ATOM 0 HA HIS A 51 -15.433 -2.686 -13.590 1.00 55.15 H new ATOM 0 HB2 HIS A 51 -17.364 -1.352 -12.841 1.00 40.24 H new ATOM 0 HB3 HIS A 51 -17.636 -3.057 -12.542 1.00 40.24 H new ATOM 0 HD2 HIS A 51 -17.283 0.286 -10.861 1.00 72.13 H new ATOM 0 HE1 HIS A 51 -17.938 -2.288 -7.636 1.00 61.13 H new ATOM 0 HE2 HIS A 51 -17.761 0.135 -8.374 1.00 51.41 H new ATOM 847 N LEU A 52 -13.676 -1.482 -11.354 1.00 44.30 N ATOM 848 CA LEU A 52 -12.794 -0.414 -10.881 1.00 73.30 C ATOM 849 C LEU A 52 -11.376 -0.947 -10.629 1.00 31.23 C ATOM 850 O LEU A 52 -11.202 -2.053 -10.119 1.00 22.51 O ATOM 851 CB LEU A 52 -13.353 0.190 -9.583 1.00 40.21 C ATOM 852 CG LEU A 52 -12.454 1.237 -8.896 1.00 24.24 C ATOM 853 CD1 LEU A 52 -12.344 2.504 -9.743 1.00 1.31 C ATOM 854 CD2 LEU A 52 -12.971 1.558 -7.496 1.00 40.12 C ATOM 0 H LEU A 52 -13.426 -2.408 -11.008 1.00 44.30 H new ATOM 0 HA LEU A 52 -12.746 0.355 -11.652 1.00 73.30 H new ATOM 0 HB2 LEU A 52 -14.316 0.652 -9.803 1.00 40.21 H new ATOM 0 HB3 LEU A 52 -13.542 -0.620 -8.878 1.00 40.21 H new ATOM 0 HG LEU A 52 -11.454 0.813 -8.799 1.00 24.24 H new ATOM 0 HD11 LEU A 52 -11.704 3.226 -9.236 1.00 1.31 H new ATOM 0 HD12 LEU A 52 -11.914 2.257 -10.713 1.00 1.31 H new ATOM 0 HD13 LEU A 52 -13.335 2.934 -9.885 1.00 1.31 H new ATOM 0 HD21 LEU A 52 -12.322 2.299 -7.029 1.00 40.12 H new ATOM 0 HD22 LEU A 52 -13.984 1.955 -7.564 1.00 40.12 H new ATOM 0 HD23 LEU A 52 -12.977 0.650 -6.893 1.00 40.12 H new ATOM 866 N TYR A 53 -10.374 -0.158 -11.005 1.00 42.14 N ATOM 867 CA TYR A 53 -8.971 -0.483 -10.719 1.00 23.21 C ATOM 868 C TYR A 53 -8.279 0.709 -10.040 1.00 11.35 C ATOM 869 O TYR A 53 -8.348 1.839 -10.529 1.00 2.44 O ATOM 870 CB TYR A 53 -8.224 -0.851 -12.009 1.00 64.02 C ATOM 871 CG TYR A 53 -8.789 -2.059 -12.738 1.00 73.24 C ATOM 872 CD1 TYR A 53 -9.780 -1.913 -13.702 1.00 25.01 C ATOM 873 CD2 TYR A 53 -8.324 -3.342 -12.465 1.00 41.43 C ATOM 874 CE1 TYR A 53 -10.292 -3.010 -14.374 1.00 32.43 C ATOM 875 CE2 TYR A 53 -8.826 -4.442 -13.135 1.00 70.23 C ATOM 876 CZ TYR A 53 -9.811 -4.271 -14.086 1.00 70.14 C ATOM 877 OH TYR A 53 -10.313 -5.367 -14.759 1.00 35.12 O ATOM 0 H TYR A 53 -10.504 0.718 -11.512 1.00 42.14 H new ATOM 0 HA TYR A 53 -8.950 -1.341 -10.047 1.00 23.21 H new ATOM 0 HB2 TYR A 53 -8.242 0.006 -12.682 1.00 64.02 H new ATOM 0 HB3 TYR A 53 -7.179 -1.044 -11.767 1.00 64.02 H new ATOM 0 HD1 TYR A 53 -10.157 -0.927 -13.931 1.00 25.01 H new ATOM 0 HD2 TYR A 53 -7.558 -3.481 -11.717 1.00 41.43 H new ATOM 0 HE1 TYR A 53 -11.063 -2.880 -15.119 1.00 32.43 H new ATOM 0 HE2 TYR A 53 -8.449 -5.430 -12.915 1.00 70.23 H new ATOM 0 HH TYR A 53 -9.868 -6.179 -14.439 1.00 35.12 H new ATOM 887 N SER A 54 -7.630 0.465 -8.907 1.00 22.33 N ATOM 888 CA SER A 54 -6.941 1.527 -8.158 1.00 43.23 C ATOM 889 C SER A 54 -5.735 0.979 -7.390 1.00 51.21 C ATOM 890 O SER A 54 -5.556 -0.235 -7.278 1.00 1.22 O ATOM 891 CB SER A 54 -7.913 2.212 -7.183 1.00 61.22 C ATOM 892 OG SER A 54 -8.992 2.825 -7.873 1.00 23.23 O ATOM 0 H SER A 54 -7.563 -0.459 -8.480 1.00 22.33 H new ATOM 0 HA SER A 54 -6.580 2.259 -8.881 1.00 43.23 H new ATOM 0 HB2 SER A 54 -8.301 1.477 -6.477 1.00 61.22 H new ATOM 0 HB3 SER A 54 -7.378 2.962 -6.601 1.00 61.22 H new ATOM 0 HG SER A 54 -9.594 3.251 -7.227 1.00 23.23 H new ATOM 898 N ARG A 55 -4.910 1.875 -6.857 1.00 31.11 N ATOM 899 CA ARG A 55 -3.702 1.470 -6.132 1.00 71.44 C ATOM 900 C ARG A 55 -3.383 2.433 -4.974 1.00 33.14 C ATOM 901 O ARG A 55 -3.716 3.616 -5.024 1.00 60.00 O ATOM 902 CB ARG A 55 -2.518 1.373 -7.107 1.00 41.01 C ATOM 903 CG ARG A 55 -2.229 2.660 -7.877 1.00 24.41 C ATOM 904 CD ARG A 55 -1.148 2.450 -8.938 1.00 4.20 C ATOM 905 NE ARG A 55 0.057 1.842 -8.375 1.00 40.34 N ATOM 906 CZ ARG A 55 1.146 1.592 -9.048 1.00 15.33 C ATOM 907 NH1 ARG A 55 1.246 1.894 -10.302 1.00 73.25 N ATOM 908 NH2 ARG A 55 2.138 1.016 -8.460 1.00 11.33 N ATOM 0 H ARG A 55 -5.052 2.884 -6.911 1.00 31.11 H new ATOM 0 HA ARG A 55 -3.882 0.489 -5.691 1.00 71.44 H new ATOM 0 HB2 ARG A 55 -1.626 1.089 -6.549 1.00 41.01 H new ATOM 0 HB3 ARG A 55 -2.715 0.573 -7.821 1.00 41.01 H new ATOM 0 HG2 ARG A 55 -3.144 3.013 -8.353 1.00 24.41 H new ATOM 0 HG3 ARG A 55 -1.911 3.437 -7.182 1.00 24.41 H new ATOM 0 HD2 ARG A 55 -1.538 1.814 -9.733 1.00 4.20 H new ATOM 0 HD3 ARG A 55 -0.893 3.408 -9.392 1.00 4.20 H new ATOM 0 HE ARG A 55 0.045 1.596 -7.385 1.00 40.34 H new ATOM 0 HH11 ARG A 55 0.464 2.337 -10.784 1.00 73.25 H new ATOM 0 HH12 ARG A 55 2.107 1.689 -10.809 1.00 73.25 H new ATOM 0 HH21 ARG A 55 2.068 0.759 -7.475 1.00 11.33 H new ATOM 0 HH22 ARG A 55 2.993 0.817 -8.979 1.00 11.33 H new ATOM 922 N ALA A 56 -2.743 1.909 -3.929 1.00 33.34 N ATOM 923 CA ALA A 56 -2.424 2.695 -2.728 1.00 3.40 C ATOM 924 C ALA A 56 -0.980 3.229 -2.749 1.00 21.21 C ATOM 925 O ALA A 56 -0.100 2.658 -3.399 1.00 22.21 O ATOM 926 CB ALA A 56 -2.653 1.844 -1.488 1.00 45.34 C ATOM 0 H ALA A 56 -2.432 0.939 -3.886 1.00 33.34 H new ATOM 0 HA ALA A 56 -3.085 3.561 -2.710 1.00 3.40 H new ATOM 0 HB1 ALA A 56 -2.416 2.427 -0.598 1.00 45.34 H new ATOM 0 HB2 ALA A 56 -3.696 1.530 -1.450 1.00 45.34 H new ATOM 0 HB3 ALA A 56 -2.011 0.964 -1.527 1.00 45.34 H new ATOM 932 N TYR A 57 -0.743 4.318 -2.016 1.00 53.04 N ATOM 933 CA TYR A 57 0.566 4.988 -2.005 1.00 23.42 C ATOM 934 C TYR A 57 1.288 4.815 -0.655 1.00 64.14 C ATOM 935 O TYR A 57 0.691 4.973 0.412 1.00 21.23 O ATOM 936 CB TYR A 57 0.390 6.481 -2.319 1.00 13.41 C ATOM 937 CG TYR A 57 -0.162 6.758 -3.708 1.00 33.22 C ATOM 938 CD1 TYR A 57 -1.460 6.397 -4.048 1.00 52.34 C ATOM 939 CD2 TYR A 57 0.617 7.382 -4.674 1.00 21.11 C ATOM 940 CE1 TYR A 57 -1.965 6.647 -5.307 1.00 24.32 C ATOM 941 CE2 TYR A 57 0.120 7.633 -5.939 1.00 15.10 C ATOM 942 CZ TYR A 57 -1.173 7.262 -6.250 1.00 55.22 C ATOM 943 OH TYR A 57 -1.682 7.517 -7.505 1.00 4.22 O ATOM 0 H TYR A 57 -1.442 4.759 -1.418 1.00 53.04 H new ATOM 0 HA TYR A 57 1.185 4.521 -2.772 1.00 23.42 H new ATOM 0 HB2 TYR A 57 -0.278 6.921 -1.579 1.00 13.41 H new ATOM 0 HB3 TYR A 57 1.354 6.980 -2.216 1.00 13.41 H new ATOM 0 HD1 TYR A 57 -2.085 5.912 -3.313 1.00 52.34 H new ATOM 0 HD2 TYR A 57 1.628 7.676 -4.433 1.00 21.11 H new ATOM 0 HE1 TYR A 57 -2.977 6.361 -5.552 1.00 24.32 H new ATOM 0 HE2 TYR A 57 0.739 8.117 -6.680 1.00 15.10 H new ATOM 0 HH TYR A 57 -0.998 7.956 -8.052 1.00 4.22 H new ATOM 953 N ILE A 58 2.581 4.502 -0.721 1.00 53.54 N ATOM 954 CA ILE A 58 3.410 4.290 0.475 1.00 74.31 C ATOM 955 C ILE A 58 4.566 5.306 0.536 1.00 20.01 C ATOM 956 O ILE A 58 5.332 5.452 -0.420 1.00 62.14 O ATOM 957 CB ILE A 58 4.010 2.858 0.493 1.00 34.41 C ATOM 958 CG1 ILE A 58 2.903 1.802 0.322 1.00 64.04 C ATOM 959 CG2 ILE A 58 4.791 2.616 1.787 1.00 32.23 C ATOM 960 CD1 ILE A 58 3.425 0.382 0.222 1.00 0.34 C ATOM 0 H ILE A 58 3.087 4.387 -1.599 1.00 53.54 H new ATOM 0 HA ILE A 58 2.760 4.424 1.339 1.00 74.31 H new ATOM 0 HB ILE A 58 4.701 2.767 -0.345 1.00 34.41 H new ATOM 0 HG12 ILE A 58 2.216 1.869 1.166 1.00 64.04 H new ATOM 0 HG13 ILE A 58 2.329 2.033 -0.575 1.00 64.04 H new ATOM 0 HG21 ILE A 58 5.203 1.607 1.780 1.00 32.23 H new ATOM 0 HG22 ILE A 58 5.603 3.339 1.863 1.00 32.23 H new ATOM 0 HG23 ILE A 58 4.124 2.729 2.641 1.00 32.23 H new ATOM 0 HD11 ILE A 58 2.588 -0.306 0.103 1.00 0.34 H new ATOM 0 HD12 ILE A 58 4.089 0.298 -0.639 1.00 0.34 H new ATOM 0 HD13 ILE A 58 3.974 0.132 1.130 1.00 0.34 H new ATOM 972 N ASN A 59 4.694 6.008 1.658 1.00 40.34 N ATOM 973 CA ASN A 59 5.783 6.974 1.832 1.00 1.44 C ATOM 974 C ASN A 59 6.844 6.452 2.815 1.00 33.22 C ATOM 975 O ASN A 59 6.554 6.152 3.979 1.00 3.53 O ATOM 976 CB ASN A 59 5.227 8.325 2.300 1.00 54.11 C ATOM 977 CG ASN A 59 6.312 9.373 2.511 1.00 24.04 C ATOM 978 OD1 ASN A 59 7.377 9.322 1.904 1.00 32.52 O ATOM 979 ND2 ASN A 59 6.043 10.344 3.359 1.00 75.12 N ATOM 0 H ASN A 59 4.064 5.930 2.457 1.00 40.34 H new ATOM 0 HA ASN A 59 6.269 7.112 0.866 1.00 1.44 H new ATOM 0 HB2 ASN A 59 4.513 8.693 1.563 1.00 54.11 H new ATOM 0 HB3 ASN A 59 4.680 8.184 3.232 1.00 54.11 H new ATOM 0 HD21 ASN A 59 6.729 11.080 3.526 1.00 75.12 H new ATOM 0 HD22 ASN A 59 5.149 10.360 3.849 1.00 75.12 H new ATOM 986 N PHE A 60 8.075 6.333 2.337 1.00 61.32 N ATOM 987 CA PHE A 60 9.204 5.939 3.184 1.00 3.31 C ATOM 988 C PHE A 60 9.919 7.165 3.752 1.00 64.34 C ATOM 989 O PHE A 60 9.756 8.285 3.259 1.00 72.03 O ATOM 990 CB PHE A 60 10.194 5.071 2.395 1.00 42.23 C ATOM 991 CG PHE A 60 9.742 3.642 2.216 1.00 12.21 C ATOM 992 CD1 PHE A 60 8.697 3.322 1.362 1.00 50.30 C ATOM 993 CD2 PHE A 60 10.366 2.616 2.910 1.00 64.14 C ATOM 994 CE1 PHE A 60 8.289 2.010 1.201 1.00 51.34 C ATOM 995 CE2 PHE A 60 9.963 1.305 2.753 1.00 52.10 C ATOM 996 CZ PHE A 60 8.922 1.001 1.898 1.00 51.34 C ATOM 0 H PHE A 60 8.323 6.504 1.362 1.00 61.32 H new ATOM 0 HA PHE A 60 8.809 5.356 4.016 1.00 3.31 H new ATOM 0 HB2 PHE A 60 10.353 5.518 1.414 1.00 42.23 H new ATOM 0 HB3 PHE A 60 11.156 5.077 2.907 1.00 42.23 H new ATOM 0 HD1 PHE A 60 8.195 4.107 0.816 1.00 50.30 H new ATOM 0 HD2 PHE A 60 11.179 2.846 3.583 1.00 64.14 H new ATOM 0 HE1 PHE A 60 7.476 1.775 0.530 1.00 51.34 H new ATOM 0 HE2 PHE A 60 10.462 0.517 3.299 1.00 52.10 H new ATOM 0 HZ PHE A 60 8.604 -0.024 1.775 1.00 51.34 H new ATOM 1006 N ARG A 61 10.704 6.959 4.802 1.00 2.52 N ATOM 1007 CA ARG A 61 11.453 8.054 5.421 1.00 33.24 C ATOM 1008 C ARG A 61 12.888 7.611 5.757 1.00 12.41 C ATOM 1009 O ARG A 61 13.513 8.134 6.675 1.00 23.21 O ATOM 1010 CB ARG A 61 10.724 8.539 6.689 1.00 25.33 C ATOM 1011 CG ARG A 61 10.899 10.033 6.976 1.00 31.20 C ATOM 1012 CD ARG A 61 9.827 10.891 6.301 1.00 32.21 C ATOM 1013 NE ARG A 61 9.662 10.595 4.876 1.00 4.41 N ATOM 1014 CZ ARG A 61 9.539 11.503 3.947 1.00 74.42 C ATOM 1015 NH1 ARG A 61 9.702 12.759 4.225 1.00 12.33 N ATOM 1016 NH2 ARG A 61 9.269 11.150 2.735 1.00 32.03 N ATOM 0 H ARG A 61 10.841 6.050 5.244 1.00 2.52 H new ATOM 0 HA ARG A 61 11.513 8.880 4.713 1.00 33.24 H new ATOM 0 HB2 ARG A 61 9.661 8.321 6.590 1.00 25.33 H new ATOM 0 HB3 ARG A 61 11.088 7.970 7.545 1.00 25.33 H new ATOM 0 HG2 ARG A 61 10.867 10.199 8.053 1.00 31.20 H new ATOM 0 HG3 ARG A 61 11.883 10.352 6.634 1.00 31.20 H new ATOM 0 HD2 ARG A 61 8.875 10.738 6.810 1.00 32.21 H new ATOM 0 HD3 ARG A 61 10.086 11.943 6.419 1.00 32.21 H new ATOM 0 HE ARG A 61 9.642 9.616 4.591 1.00 4.41 H new ATOM 0 HH11 ARG A 61 9.929 13.045 5.177 1.00 12.33 H new ATOM 0 HH12 ARG A 61 9.604 13.461 3.491 1.00 12.33 H new ATOM 0 HH21 ARG A 61 9.152 10.163 2.505 1.00 32.03 H new ATOM 0 HH22 ARG A 61 9.172 11.858 2.007 1.00 32.03 H new ATOM 1030 N ASN A 62 13.400 6.654 4.984 1.00 12.23 N ATOM 1031 CA ASN A 62 14.759 6.132 5.171 1.00 51.43 C ATOM 1032 C ASN A 62 15.164 5.248 3.974 1.00 13.35 C ATOM 1033 O ASN A 62 14.496 4.258 3.677 1.00 45.52 O ATOM 1034 CB ASN A 62 14.844 5.328 6.477 1.00 73.34 C ATOM 1035 CG ASN A 62 16.261 4.886 6.798 1.00 0.13 C ATOM 1036 OD1 ASN A 62 17.229 5.548 6.438 1.00 24.23 O ATOM 1037 ND2 ASN A 62 16.400 3.766 7.472 1.00 31.50 N ATOM 0 H ASN A 62 12.891 6.219 4.215 1.00 12.23 H new ATOM 0 HA ASN A 62 15.449 6.973 5.232 1.00 51.43 H new ATOM 0 HB2 ASN A 62 14.461 5.934 7.298 1.00 73.34 H new ATOM 0 HB3 ASN A 62 14.202 4.451 6.402 1.00 73.34 H new ATOM 0 HD21 ASN A 62 17.332 3.426 7.709 1.00 31.50 H new ATOM 0 HD22 ASN A 62 15.576 3.237 7.758 1.00 31.50 H new ATOM 1044 N PRO A 63 16.265 5.593 3.263 1.00 54.03 N ATOM 1045 CA PRO A 63 16.731 4.829 2.086 1.00 52.52 C ATOM 1046 C PRO A 63 16.938 3.332 2.384 1.00 20.31 C ATOM 1047 O PRO A 63 16.559 2.469 1.589 1.00 55.14 O ATOM 1048 CB PRO A 63 18.066 5.506 1.712 1.00 34.34 C ATOM 1049 CG PRO A 63 18.436 6.340 2.898 1.00 22.41 C ATOM 1050 CD PRO A 63 17.138 6.749 3.536 1.00 30.53 C ATOM 0 HA PRO A 63 15.995 4.847 1.282 1.00 52.52 H new ATOM 0 HB2 PRO A 63 18.836 4.765 1.498 1.00 34.34 H new ATOM 0 HB3 PRO A 63 17.958 6.120 0.818 1.00 34.34 H new ATOM 0 HG2 PRO A 63 19.053 5.774 3.596 1.00 22.41 H new ATOM 0 HG3 PRO A 63 19.015 7.213 2.596 1.00 22.41 H new ATOM 0 HD2 PRO A 63 17.251 6.928 4.605 1.00 30.53 H new ATOM 0 HD3 PRO A 63 16.743 7.667 3.099 1.00 30.53 H new ATOM 1058 N ASP A 64 17.543 3.036 3.533 1.00 25.53 N ATOM 1059 CA ASP A 64 17.753 1.654 3.977 1.00 41.11 C ATOM 1060 C ASP A 64 16.416 0.927 4.211 1.00 73.34 C ATOM 1061 O ASP A 64 16.268 -0.250 3.882 1.00 43.21 O ATOM 1062 CB ASP A 64 18.584 1.650 5.261 1.00 71.22 C ATOM 1063 CG ASP A 64 19.943 2.293 5.071 1.00 33.00 C ATOM 1064 OD1 ASP A 64 20.001 3.517 4.832 1.00 54.33 O ATOM 1065 OD2 ASP A 64 20.966 1.583 5.176 1.00 54.55 O ATOM 0 H ASP A 64 17.900 3.739 4.180 1.00 25.53 H new ATOM 0 HA ASP A 64 18.287 1.120 3.191 1.00 41.11 H new ATOM 0 HB2 ASP A 64 18.041 2.179 6.044 1.00 71.22 H new ATOM 0 HB3 ASP A 64 18.715 0.623 5.603 1.00 71.22 H new ATOM 1070 N ASP A 65 15.448 1.645 4.776 1.00 11.32 N ATOM 1071 CA ASP A 65 14.110 1.101 5.031 1.00 72.32 C ATOM 1072 C ASP A 65 13.440 0.652 3.717 1.00 65.52 C ATOM 1073 O ASP A 65 12.733 -0.359 3.673 1.00 23.04 O ATOM 1074 CB ASP A 65 13.267 2.169 5.743 1.00 71.44 C ATOM 1075 CG ASP A 65 11.979 1.626 6.332 1.00 32.40 C ATOM 1076 OD1 ASP A 65 12.037 0.602 7.042 1.00 65.12 O ATOM 1077 OD2 ASP A 65 10.918 2.252 6.129 1.00 21.35 O ATOM 0 H ASP A 65 15.564 2.615 5.070 1.00 11.32 H new ATOM 0 HA ASP A 65 14.191 0.221 5.669 1.00 72.32 H new ATOM 0 HB2 ASP A 65 13.861 2.619 6.539 1.00 71.44 H new ATOM 0 HB3 ASP A 65 13.028 2.963 5.036 1.00 71.44 H new ATOM 1082 N ILE A 66 13.693 1.404 2.642 1.00 51.42 N ATOM 1083 CA ILE A 66 13.159 1.077 1.313 1.00 4.44 C ATOM 1084 C ILE A 66 13.610 -0.319 0.849 1.00 22.31 C ATOM 1085 O ILE A 66 12.783 -1.188 0.562 1.00 4.52 O ATOM 1086 CB ILE A 66 13.592 2.126 0.253 1.00 61.23 C ATOM 1087 CG1 ILE A 66 13.151 3.536 0.679 1.00 2.43 C ATOM 1088 CG2 ILE A 66 13.019 1.774 -1.124 1.00 74.23 C ATOM 1089 CD1 ILE A 66 13.574 4.632 -0.281 1.00 20.41 C ATOM 0 H ILE A 66 14.267 2.247 2.665 1.00 51.42 H new ATOM 0 HA ILE A 66 12.073 1.088 1.405 1.00 4.44 H new ATOM 0 HB ILE A 66 14.680 2.112 0.182 1.00 61.23 H new ATOM 0 HG12 ILE A 66 12.065 3.552 0.777 1.00 2.43 H new ATOM 0 HG13 ILE A 66 13.563 3.752 1.665 1.00 2.43 H new ATOM 0 HG21 ILE A 66 13.335 2.522 -1.851 1.00 74.23 H new ATOM 0 HG22 ILE A 66 13.384 0.793 -1.430 1.00 74.23 H new ATOM 0 HG23 ILE A 66 11.930 1.756 -1.071 1.00 74.23 H new ATOM 0 HD11 ILE A 66 13.225 5.596 0.090 1.00 20.41 H new ATOM 0 HD12 ILE A 66 14.661 4.646 -0.361 1.00 20.41 H new ATOM 0 HD13 ILE A 66 13.140 4.443 -1.263 1.00 20.41 H new ATOM 1101 N LEU A 67 14.928 -0.534 0.785 1.00 21.23 N ATOM 1102 CA LEU A 67 15.473 -1.826 0.341 1.00 15.15 C ATOM 1103 C LEU A 67 15.113 -2.954 1.323 1.00 61.14 C ATOM 1104 O LEU A 67 14.904 -4.096 0.914 1.00 60.40 O ATOM 1105 CB LEU A 67 17.000 -1.728 0.118 1.00 52.13 C ATOM 1106 CG LEU A 67 17.844 -1.230 1.313 1.00 11.14 C ATOM 1107 CD1 LEU A 67 18.156 -2.357 2.298 1.00 4.41 C ATOM 1108 CD2 LEU A 67 19.133 -0.576 0.824 1.00 44.15 C ATOM 0 H LEU A 67 15.633 0.161 1.032 1.00 21.23 H new ATOM 0 HA LEU A 67 15.013 -2.076 -0.615 1.00 15.15 H new ATOM 0 HB2 LEU A 67 17.366 -2.713 -0.170 1.00 52.13 H new ATOM 0 HB3 LEU A 67 17.179 -1.062 -0.726 1.00 52.13 H new ATOM 0 HG LEU A 67 17.251 -0.485 1.844 1.00 11.14 H new ATOM 0 HD11 LEU A 67 18.751 -1.965 3.123 1.00 4.41 H new ATOM 0 HD12 LEU A 67 17.225 -2.769 2.686 1.00 4.41 H new ATOM 0 HD13 LEU A 67 18.715 -3.141 1.788 1.00 4.41 H new ATOM 0 HD21 LEU A 67 19.714 -0.232 1.680 1.00 44.15 H new ATOM 0 HD22 LEU A 67 19.717 -1.301 0.257 1.00 44.15 H new ATOM 0 HD23 LEU A 67 18.890 0.273 0.185 1.00 44.15 H new ATOM 1120 N LEU A 68 15.020 -2.617 2.609 1.00 72.42 N ATOM 1121 CA LEU A 68 14.592 -3.569 3.643 1.00 2.12 C ATOM 1122 C LEU A 68 13.220 -4.180 3.312 1.00 74.51 C ATOM 1123 O LEU A 68 13.085 -5.396 3.146 1.00 75.43 O ATOM 1124 CB LEU A 68 14.536 -2.861 5.007 1.00 23.22 C ATOM 1125 CG LEU A 68 13.802 -3.622 6.126 1.00 40.32 C ATOM 1126 CD1 LEU A 68 14.479 -4.962 6.416 1.00 52.35 C ATOM 1127 CD2 LEU A 68 13.722 -2.772 7.392 1.00 20.14 C ATOM 0 H LEU A 68 15.236 -1.686 2.965 1.00 72.42 H new ATOM 0 HA LEU A 68 15.319 -4.380 3.680 1.00 2.12 H new ATOM 0 HB2 LEU A 68 15.557 -2.665 5.336 1.00 23.22 H new ATOM 0 HB3 LEU A 68 14.052 -1.893 4.874 1.00 23.22 H new ATOM 0 HG LEU A 68 12.787 -3.826 5.784 1.00 40.32 H new ATOM 0 HD11 LEU A 68 13.940 -5.478 7.210 1.00 52.35 H new ATOM 0 HD12 LEU A 68 14.472 -5.576 5.515 1.00 52.35 H new ATOM 0 HD13 LEU A 68 15.509 -4.789 6.730 1.00 52.35 H new ATOM 0 HD21 LEU A 68 13.200 -3.328 8.171 1.00 20.14 H new ATOM 0 HD22 LEU A 68 14.729 -2.530 7.732 1.00 20.14 H new ATOM 0 HD23 LEU A 68 13.180 -1.851 7.178 1.00 20.14 H new ATOM 1139 N PHE A 69 12.203 -3.327 3.216 1.00 71.42 N ATOM 1140 CA PHE A 69 10.838 -3.781 2.942 1.00 11.10 C ATOM 1141 C PHE A 69 10.670 -4.302 1.508 1.00 65.13 C ATOM 1142 O PHE A 69 9.911 -5.243 1.276 1.00 10.24 O ATOM 1143 CB PHE A 69 9.836 -2.666 3.251 1.00 65.24 C ATOM 1144 CG PHE A 69 9.438 -2.637 4.703 1.00 5.41 C ATOM 1145 CD1 PHE A 69 8.411 -3.446 5.159 1.00 73.13 C ATOM 1146 CD2 PHE A 69 10.103 -1.828 5.613 1.00 41.21 C ATOM 1147 CE1 PHE A 69 8.047 -3.448 6.488 1.00 62.22 C ATOM 1148 CE2 PHE A 69 9.744 -1.828 6.948 1.00 32.45 C ATOM 1149 CZ PHE A 69 8.714 -2.639 7.387 1.00 30.11 C ATOM 0 H PHE A 69 12.296 -2.317 3.324 1.00 71.42 H new ATOM 0 HA PHE A 69 10.635 -4.625 3.601 1.00 11.10 H new ATOM 0 HB2 PHE A 69 10.271 -1.705 2.977 1.00 65.24 H new ATOM 0 HB3 PHE A 69 8.946 -2.800 2.636 1.00 65.24 H new ATOM 0 HD1 PHE A 69 7.888 -4.085 4.463 1.00 73.13 H new ATOM 0 HD2 PHE A 69 10.908 -1.193 5.275 1.00 41.21 H new ATOM 0 HE1 PHE A 69 7.241 -4.082 6.826 1.00 62.22 H new ATOM 0 HE2 PHE A 69 10.268 -1.194 7.648 1.00 32.45 H new ATOM 0 HZ PHE A 69 8.432 -2.640 8.429 1.00 30.11 H new ATOM 1159 N ARG A 70 11.376 -3.706 0.551 1.00 71.20 N ATOM 1160 CA ARG A 70 11.375 -4.221 -0.823 1.00 43.21 C ATOM 1161 C ARG A 70 11.860 -5.679 -0.848 1.00 63.23 C ATOM 1162 O ARG A 70 11.260 -6.538 -1.496 1.00 53.34 O ATOM 1163 CB ARG A 70 12.256 -3.339 -1.738 1.00 61.23 C ATOM 1164 CG ARG A 70 12.327 -3.803 -3.202 1.00 34.52 C ATOM 1165 CD ARG A 70 13.413 -4.859 -3.438 1.00 0.01 C ATOM 1166 NE ARG A 70 13.255 -5.535 -4.723 1.00 3.40 N ATOM 1167 CZ ARG A 70 13.823 -6.669 -5.037 1.00 32.14 C ATOM 1168 NH1 ARG A 70 14.657 -7.245 -4.228 1.00 21.45 N ATOM 1169 NH2 ARG A 70 13.561 -7.219 -6.175 1.00 30.11 N ATOM 0 H ARG A 70 11.951 -2.876 0.694 1.00 71.20 H new ATOM 0 HA ARG A 70 10.353 -4.189 -1.202 1.00 43.21 H new ATOM 0 HB2 ARG A 70 11.874 -2.318 -1.713 1.00 61.23 H new ATOM 0 HB3 ARG A 70 13.266 -3.312 -1.330 1.00 61.23 H new ATOM 0 HG2 ARG A 70 11.360 -4.211 -3.497 1.00 34.52 H new ATOM 0 HG3 ARG A 70 12.518 -2.942 -3.842 1.00 34.52 H new ATOM 0 HD2 ARG A 70 14.394 -4.385 -3.397 1.00 0.01 H new ATOM 0 HD3 ARG A 70 13.381 -5.596 -2.635 1.00 0.01 H new ATOM 0 HE ARG A 70 12.661 -5.091 -5.423 1.00 3.40 H new ATOM 0 HH11 ARG A 70 14.878 -6.813 -3.331 1.00 21.45 H new ATOM 0 HH12 ARG A 70 15.092 -8.130 -4.489 1.00 21.45 H new ATOM 0 HH21 ARG A 70 12.914 -6.768 -6.822 1.00 30.11 H new ATOM 0 HH22 ARG A 70 14.001 -8.104 -6.427 1.00 30.11 H new ATOM 1183 N ASP A 71 12.940 -5.945 -0.121 1.00 13.30 N ATOM 1184 CA ASP A 71 13.566 -7.267 -0.100 1.00 61.30 C ATOM 1185 C ASP A 71 12.663 -8.321 0.568 1.00 73.42 C ATOM 1186 O ASP A 71 12.427 -9.391 0.006 1.00 21.34 O ATOM 1187 CB ASP A 71 14.910 -7.185 0.632 1.00 13.52 C ATOM 1188 CG ASP A 71 15.768 -8.417 0.419 1.00 41.53 C ATOM 1189 OD1 ASP A 71 16.428 -8.503 -0.639 1.00 53.20 O ATOM 1190 OD2 ASP A 71 15.794 -9.300 1.301 1.00 0.30 O ATOM 0 H ASP A 71 13.406 -5.255 0.469 1.00 13.30 H new ATOM 0 HA ASP A 71 13.724 -7.581 -1.132 1.00 61.30 H new ATOM 0 HB2 ASP A 71 15.453 -6.305 0.288 1.00 13.52 H new ATOM 0 HB3 ASP A 71 14.731 -7.052 1.699 1.00 13.52 H new ATOM 1195 N ARG A 72 12.154 -8.008 1.762 1.00 2.24 N ATOM 1196 CA ARG A 72 11.346 -8.969 2.534 1.00 51.52 C ATOM 1197 C ARG A 72 9.927 -9.156 1.956 1.00 74.10 C ATOM 1198 O ARG A 72 9.209 -10.076 2.352 1.00 53.23 O ATOM 1199 CB ARG A 72 11.261 -8.546 4.010 1.00 60.24 C ATOM 1200 CG ARG A 72 10.569 -7.208 4.242 1.00 2.24 C ATOM 1201 CD ARG A 72 10.373 -6.919 5.730 1.00 62.44 C ATOM 1202 NE ARG A 72 9.575 -7.959 6.382 1.00 4.10 N ATOM 1203 CZ ARG A 72 8.680 -7.741 7.312 1.00 13.00 C ATOM 1204 NH1 ARG A 72 8.464 -6.551 7.768 1.00 1.14 N ATOM 1205 NH2 ARG A 72 8.012 -8.731 7.802 1.00 22.50 N ATOM 0 H ARG A 72 12.283 -7.104 2.217 1.00 2.24 H new ATOM 0 HA ARG A 72 11.855 -9.930 2.461 1.00 51.52 H new ATOM 0 HB2 ARG A 72 10.729 -9.318 4.567 1.00 60.24 H new ATOM 0 HB3 ARG A 72 12.270 -8.495 4.420 1.00 60.24 H new ATOM 0 HG2 ARG A 72 11.160 -6.411 3.792 1.00 2.24 H new ATOM 0 HG3 ARG A 72 9.601 -7.208 3.741 1.00 2.24 H new ATOM 0 HD2 ARG A 72 11.345 -6.846 6.218 1.00 62.44 H new ATOM 0 HD3 ARG A 72 9.882 -5.953 5.852 1.00 62.44 H new ATOM 0 HE ARG A 72 9.728 -8.924 6.090 1.00 4.10 H new ATOM 0 HH11 ARG A 72 8.996 -5.761 7.403 1.00 1.14 H new ATOM 0 HH12 ARG A 72 7.762 -6.402 8.493 1.00 1.14 H new ATOM 0 HH21 ARG A 72 8.183 -9.678 7.464 1.00 22.50 H new ATOM 0 HH22 ARG A 72 7.314 -8.566 8.527 1.00 22.50 H new ATOM 1219 N PHE A 73 9.522 -8.281 1.035 1.00 34.23 N ATOM 1220 CA PHE A 73 8.211 -8.404 0.374 1.00 33.10 C ATOM 1221 C PHE A 73 8.346 -8.917 -1.077 1.00 5.21 C ATOM 1222 O PHE A 73 8.301 -10.123 -1.316 1.00 52.24 O ATOM 1223 CB PHE A 73 7.455 -7.058 0.405 1.00 30.24 C ATOM 1224 CG PHE A 73 6.672 -6.813 1.676 1.00 20.21 C ATOM 1225 CD1 PHE A 73 7.303 -6.423 2.851 1.00 34.53 C ATOM 1226 CD2 PHE A 73 5.297 -6.981 1.688 1.00 52.30 C ATOM 1227 CE1 PHE A 73 6.574 -6.208 4.007 1.00 75.23 C ATOM 1228 CE2 PHE A 73 4.565 -6.768 2.840 1.00 1.20 C ATOM 1229 CZ PHE A 73 5.204 -6.381 4.000 1.00 20.43 C ATOM 0 H PHE A 73 10.075 -7.481 0.727 1.00 34.23 H new ATOM 0 HA PHE A 73 7.634 -9.142 0.931 1.00 33.10 H new ATOM 0 HB2 PHE A 73 8.173 -6.248 0.272 1.00 30.24 H new ATOM 0 HB3 PHE A 73 6.771 -7.019 -0.443 1.00 30.24 H new ATOM 0 HD1 PHE A 73 8.374 -6.286 2.862 1.00 34.53 H new ATOM 0 HD2 PHE A 73 4.790 -7.283 0.784 1.00 52.30 H new ATOM 0 HE1 PHE A 73 7.076 -5.905 4.914 1.00 75.23 H new ATOM 0 HE2 PHE A 73 3.494 -6.904 2.833 1.00 1.20 H new ATOM 0 HZ PHE A 73 4.633 -6.214 4.902 1.00 20.43 H new ATOM 1239 N ASP A 74 8.526 -7.983 -2.020 1.00 54.23 N ATOM 1240 CA ASP A 74 8.610 -8.274 -3.468 1.00 4.22 C ATOM 1241 C ASP A 74 7.612 -9.359 -3.947 1.00 0.44 C ATOM 1242 O ASP A 74 7.851 -10.561 -3.786 1.00 13.01 O ATOM 1243 CB ASP A 74 10.040 -8.656 -3.862 1.00 52.53 C ATOM 1244 CG ASP A 74 10.195 -8.775 -5.367 1.00 73.35 C ATOM 1245 OD1 ASP A 74 10.042 -7.749 -6.062 1.00 73.22 O ATOM 1246 OD2 ASP A 74 10.448 -9.891 -5.870 1.00 25.01 O ATOM 0 H ASP A 74 8.619 -6.991 -1.802 1.00 54.23 H new ATOM 0 HA ASP A 74 8.324 -7.352 -3.974 1.00 4.22 H new ATOM 0 HB2 ASP A 74 10.734 -7.906 -3.483 1.00 52.53 H new ATOM 0 HB3 ASP A 74 10.306 -9.603 -3.393 1.00 52.53 H new ATOM 1251 N GLY A 75 6.512 -8.924 -4.566 1.00 24.15 N ATOM 1252 CA GLY A 75 5.494 -9.856 -5.049 1.00 30.42 C ATOM 1253 C GLY A 75 4.810 -10.629 -3.925 1.00 14.11 C ATOM 1254 O GLY A 75 4.754 -11.860 -3.943 1.00 30.23 O ATOM 0 H GLY A 75 6.306 -7.941 -4.743 1.00 24.15 H new ATOM 0 HA2 GLY A 75 4.742 -9.304 -5.612 1.00 30.42 H new ATOM 0 HA3 GLY A 75 5.955 -10.562 -5.740 1.00 30.42 H new ATOM 1258 N TYR A 76 4.276 -9.899 -2.952 1.00 33.02 N ATOM 1259 CA TYR A 76 3.658 -10.502 -1.769 1.00 73.23 C ATOM 1260 C TYR A 76 2.167 -10.820 -2.004 1.00 73.10 C ATOM 1261 O TYR A 76 1.333 -9.923 -2.113 1.00 71.23 O ATOM 1262 CB TYR A 76 3.872 -9.555 -0.571 1.00 72.21 C ATOM 1263 CG TYR A 76 2.814 -9.609 0.514 1.00 15.11 C ATOM 1264 CD1 TYR A 76 2.635 -10.735 1.313 1.00 51.32 C ATOM 1265 CD2 TYR A 76 2.000 -8.508 0.744 1.00 50.31 C ATOM 1266 CE1 TYR A 76 1.671 -10.754 2.304 1.00 51.14 C ATOM 1267 CE2 TYR A 76 1.045 -8.518 1.728 1.00 74.25 C ATOM 1268 CZ TYR A 76 0.881 -9.642 2.508 1.00 40.40 C ATOM 1269 OH TYR A 76 -0.076 -9.656 3.498 1.00 30.43 O ATOM 0 H TYR A 76 4.257 -8.879 -2.957 1.00 33.02 H new ATOM 0 HA TYR A 76 4.132 -11.460 -1.555 1.00 73.23 H new ATOM 0 HB2 TYR A 76 4.838 -9.783 -0.121 1.00 72.21 H new ATOM 0 HB3 TYR A 76 3.928 -8.533 -0.946 1.00 72.21 H new ATOM 0 HD1 TYR A 76 3.257 -11.604 1.157 1.00 51.32 H new ATOM 0 HD2 TYR A 76 2.122 -7.625 0.135 1.00 50.31 H new ATOM 0 HE1 TYR A 76 1.537 -11.635 2.915 1.00 51.14 H new ATOM 0 HE2 TYR A 76 0.424 -7.649 1.891 1.00 74.25 H new ATOM 0 HH TYR A 76 -0.629 -8.850 3.430 1.00 30.43 H new ATOM 1279 N ILE A 77 1.849 -12.112 -2.094 1.00 71.12 N ATOM 1280 CA ILE A 77 0.470 -12.567 -2.324 1.00 30.24 C ATOM 1281 C ILE A 77 -0.329 -12.624 -1.009 1.00 44.41 C ATOM 1282 O ILE A 77 -0.078 -13.470 -0.151 1.00 30.20 O ATOM 1283 CB ILE A 77 0.444 -13.970 -2.990 1.00 62.00 C ATOM 1284 CG1 ILE A 77 1.188 -13.950 -4.338 1.00 63.22 C ATOM 1285 CG2 ILE A 77 -0.996 -14.459 -3.174 1.00 4.22 C ATOM 1286 CD1 ILE A 77 0.522 -13.104 -5.402 1.00 20.43 C ATOM 0 H ILE A 77 2.529 -12.868 -2.011 1.00 71.12 H new ATOM 0 HA ILE A 77 0.007 -11.841 -2.993 1.00 30.24 H new ATOM 0 HB ILE A 77 0.958 -14.667 -2.328 1.00 62.00 H new ATOM 0 HG12 ILE A 77 2.200 -13.579 -4.176 1.00 63.22 H new ATOM 0 HG13 ILE A 77 1.278 -14.972 -4.706 1.00 63.22 H new ATOM 0 HG21 ILE A 77 -0.989 -15.443 -3.642 1.00 4.22 H new ATOM 0 HG22 ILE A 77 -1.486 -14.523 -2.202 1.00 4.22 H new ATOM 0 HG23 ILE A 77 -1.540 -13.759 -3.809 1.00 4.22 H new ATOM 0 HD11 ILE A 77 1.109 -13.144 -6.319 1.00 20.43 H new ATOM 0 HD12 ILE A 77 -0.480 -13.486 -5.596 1.00 20.43 H new ATOM 0 HD13 ILE A 77 0.457 -12.072 -5.058 1.00 20.43 H new ATOM 1298 N PHE A 78 -1.285 -11.713 -0.854 1.00 71.54 N ATOM 1299 CA PHE A 78 -2.151 -11.691 0.332 1.00 70.22 C ATOM 1300 C PHE A 78 -3.483 -12.417 0.073 1.00 1.04 C ATOM 1301 O PHE A 78 -4.084 -12.266 -0.986 1.00 41.21 O ATOM 1302 CB PHE A 78 -2.415 -10.238 0.758 1.00 53.43 C ATOM 1303 CG PHE A 78 -3.376 -10.099 1.914 1.00 34.42 C ATOM 1304 CD1 PHE A 78 -3.036 -10.561 3.178 1.00 0.21 C ATOM 1305 CD2 PHE A 78 -4.620 -9.501 1.739 1.00 21.55 C ATOM 1306 CE1 PHE A 78 -3.912 -10.431 4.240 1.00 33.32 C ATOM 1307 CE2 PHE A 78 -5.498 -9.369 2.798 1.00 53.53 C ATOM 1308 CZ PHE A 78 -5.144 -9.836 4.049 1.00 43.11 C ATOM 0 H PHE A 78 -1.484 -10.978 -1.532 1.00 71.54 H new ATOM 0 HA PHE A 78 -1.636 -12.218 1.135 1.00 70.22 H new ATOM 0 HB2 PHE A 78 -1.467 -9.772 1.029 1.00 53.43 H new ATOM 0 HB3 PHE A 78 -2.808 -9.686 -0.096 1.00 53.43 H new ATOM 0 HD1 PHE A 78 -2.075 -11.028 3.334 1.00 0.21 H new ATOM 0 HD2 PHE A 78 -4.903 -9.135 0.763 1.00 21.55 H new ATOM 0 HE1 PHE A 78 -3.633 -10.794 5.218 1.00 33.32 H new ATOM 0 HE2 PHE A 78 -6.460 -8.901 2.648 1.00 53.53 H new ATOM 0 HZ PHE A 78 -5.830 -9.736 4.877 1.00 43.11 H new ATOM 1318 N LEU A 79 -3.929 -13.212 1.050 1.00 23.04 N ATOM 1319 CA LEU A 79 -5.230 -13.895 0.983 1.00 65.14 C ATOM 1320 C LEU A 79 -6.157 -13.406 2.110 1.00 64.21 C ATOM 1321 O LEU A 79 -5.876 -13.618 3.291 1.00 71.43 O ATOM 1322 CB LEU A 79 -5.030 -15.415 1.072 1.00 53.34 C ATOM 1323 CG LEU A 79 -4.273 -16.047 -0.110 1.00 32.32 C ATOM 1324 CD1 LEU A 79 -3.912 -17.500 0.191 1.00 12.51 C ATOM 1325 CD2 LEU A 79 -5.098 -15.952 -1.392 1.00 1.30 C ATOM 0 H LEU A 79 -3.405 -13.401 1.905 1.00 23.04 H new ATOM 0 HA LEU A 79 -5.701 -13.658 0.029 1.00 65.14 H new ATOM 0 HB2 LEU A 79 -4.490 -15.641 1.991 1.00 53.34 H new ATOM 0 HB3 LEU A 79 -6.008 -15.890 1.152 1.00 53.34 H new ATOM 0 HG LEU A 79 -3.348 -15.490 -0.256 1.00 32.32 H new ATOM 0 HD11 LEU A 79 -3.378 -17.926 -0.658 1.00 12.51 H new ATOM 0 HD12 LEU A 79 -3.278 -17.541 1.076 1.00 12.51 H new ATOM 0 HD13 LEU A 79 -4.823 -18.072 0.370 1.00 12.51 H new ATOM 0 HD21 LEU A 79 -4.545 -16.404 -2.215 1.00 1.30 H new ATOM 0 HD22 LEU A 79 -6.043 -16.479 -1.257 1.00 1.30 H new ATOM 0 HD23 LEU A 79 -5.296 -14.905 -1.620 1.00 1.30 H new ATOM 1337 N ASP A 80 -7.264 -12.771 1.729 1.00 23.30 N ATOM 1338 CA ASP A 80 -8.160 -12.083 2.675 1.00 11.44 C ATOM 1339 C ASP A 80 -8.768 -13.020 3.754 1.00 4.03 C ATOM 1340 O ASP A 80 -8.338 -13.019 4.911 1.00 43.21 O ATOM 1341 CB ASP A 80 -9.270 -11.365 1.882 1.00 21.52 C ATOM 1342 CG ASP A 80 -10.025 -12.310 0.954 1.00 61.02 C ATOM 1343 OD1 ASP A 80 -9.427 -12.799 -0.024 1.00 20.42 O ATOM 1344 OD2 ASP A 80 -11.198 -12.619 1.241 1.00 32.32 O ATOM 0 H ASP A 80 -7.571 -12.715 0.758 1.00 23.30 H new ATOM 0 HA ASP A 80 -7.558 -11.361 3.227 1.00 11.44 H new ATOM 0 HB2 ASP A 80 -9.972 -10.906 2.579 1.00 21.52 H new ATOM 0 HB3 ASP A 80 -8.830 -10.558 1.295 1.00 21.52 H new ATOM 1349 N SER A 81 -9.768 -13.804 3.363 1.00 14.24 N ATOM 1350 CA SER A 81 -10.508 -14.698 4.262 1.00 20.32 C ATOM 1351 C SER A 81 -11.264 -15.717 3.411 1.00 50.41 C ATOM 1352 O SER A 81 -11.333 -16.902 3.738 1.00 45.42 O ATOM 1353 CB SER A 81 -11.495 -13.912 5.147 1.00 0.23 C ATOM 1354 OG SER A 81 -10.823 -12.976 5.983 1.00 13.21 O ATOM 0 H SER A 81 -10.096 -13.840 2.398 1.00 14.24 H new ATOM 0 HA SER A 81 -9.805 -15.202 4.925 1.00 20.32 H new ATOM 0 HB2 SER A 81 -12.211 -13.387 4.515 1.00 0.23 H new ATOM 0 HB3 SER A 81 -12.064 -14.608 5.764 1.00 0.23 H new ATOM 0 HG SER A 81 -9.862 -13.000 5.794 1.00 13.21 H new ATOM 1360 N LYS A 82 -11.830 -15.229 2.305 1.00 33.33 N ATOM 1361 CA LYS A 82 -12.366 -16.093 1.254 1.00 10.41 C ATOM 1362 C LYS A 82 -11.222 -16.865 0.586 1.00 55.21 C ATOM 1363 O LYS A 82 -11.217 -18.099 0.558 1.00 42.43 O ATOM 1364 CB LYS A 82 -13.105 -15.253 0.203 1.00 1.32 C ATOM 1365 CG LYS A 82 -14.479 -14.757 0.644 1.00 4.21 C ATOM 1366 CD LYS A 82 -15.505 -15.890 0.659 1.00 13.43 C ATOM 1367 CE LYS A 82 -16.911 -15.384 0.964 1.00 20.43 C ATOM 1368 NZ LYS A 82 -17.933 -16.453 0.803 1.00 31.24 N ATOM 0 H LYS A 82 -11.929 -14.232 2.115 1.00 33.33 H new ATOM 0 HA LYS A 82 -13.067 -16.798 1.700 1.00 10.41 H new ATOM 0 HB2 LYS A 82 -12.488 -14.393 -0.056 1.00 1.32 H new ATOM 0 HB3 LYS A 82 -13.221 -15.847 -0.703 1.00 1.32 H new ATOM 0 HG2 LYS A 82 -14.406 -14.317 1.639 1.00 4.21 H new ATOM 0 HG3 LYS A 82 -14.816 -13.969 -0.029 1.00 4.21 H new ATOM 0 HD2 LYS A 82 -15.503 -16.394 -0.308 1.00 13.43 H new ATOM 0 HD3 LYS A 82 -15.216 -16.630 1.405 1.00 13.43 H new ATOM 0 HE2 LYS A 82 -16.945 -15.000 1.983 1.00 20.43 H new ATOM 0 HE3 LYS A 82 -17.149 -14.552 0.302 1.00 20.43 H new ATOM 0 HZ1 LYS A 82 -18.875 -16.068 1.019 1.00 31.24 H new ATOM 0 HZ2 LYS A 82 -17.918 -16.802 -0.176 1.00 31.24 H new ATOM 0 HZ3 LYS A 82 -17.721 -17.237 1.453 1.00 31.24 H new ATOM 1382 N GLY A 83 -10.245 -16.123 0.068 1.00 63.13 N ATOM 1383 CA GLY A 83 -9.075 -16.735 -0.551 1.00 62.41 C ATOM 1384 C GLY A 83 -8.726 -16.138 -1.911 1.00 62.52 C ATOM 1385 O GLY A 83 -8.288 -16.854 -2.814 1.00 11.12 O ATOM 0 H GLY A 83 -10.241 -15.103 0.065 1.00 63.13 H new ATOM 0 HA2 GLY A 83 -8.220 -16.624 0.116 1.00 62.41 H new ATOM 0 HA3 GLY A 83 -9.252 -17.804 -0.667 1.00 62.41 H new ATOM 1389 N LEU A 84 -8.910 -14.828 -2.055 1.00 1.33 N ATOM 1390 CA LEU A 84 -8.570 -14.125 -3.294 1.00 11.55 C ATOM 1391 C LEU A 84 -7.122 -13.615 -3.244 1.00 24.40 C ATOM 1392 O LEU A 84 -6.682 -13.068 -2.233 1.00 41.25 O ATOM 1393 CB LEU A 84 -9.540 -12.954 -3.516 1.00 22.42 C ATOM 1394 CG LEU A 84 -11.030 -13.335 -3.562 1.00 33.31 C ATOM 1395 CD1 LEU A 84 -11.902 -12.093 -3.749 1.00 52.42 C ATOM 1396 CD2 LEU A 84 -11.294 -14.355 -4.670 1.00 24.54 C ATOM 0 H LEU A 84 -9.295 -14.227 -1.326 1.00 1.33 H new ATOM 0 HA LEU A 84 -8.660 -14.822 -4.127 1.00 11.55 H new ATOM 0 HB2 LEU A 84 -9.393 -12.225 -2.719 1.00 22.42 H new ATOM 0 HB3 LEU A 84 -9.279 -12.460 -4.452 1.00 22.42 H new ATOM 0 HG LEU A 84 -11.293 -13.793 -2.609 1.00 33.31 H new ATOM 0 HD11 LEU A 84 -12.951 -12.386 -3.779 1.00 52.42 H new ATOM 0 HD12 LEU A 84 -11.740 -11.407 -2.918 1.00 52.42 H new ATOM 0 HD13 LEU A 84 -11.637 -11.600 -4.684 1.00 52.42 H new ATOM 0 HD21 LEU A 84 -12.354 -14.610 -4.685 1.00 24.54 H new ATOM 0 HD22 LEU A 84 -11.010 -13.929 -5.632 1.00 24.54 H new ATOM 0 HD23 LEU A 84 -10.707 -15.254 -4.484 1.00 24.54 H new ATOM 1408 N GLU A 85 -6.375 -13.820 -4.325 1.00 51.10 N ATOM 1409 CA GLU A 85 -4.981 -13.374 -4.381 1.00 1.11 C ATOM 1410 C GLU A 85 -4.871 -11.851 -4.534 1.00 32.41 C ATOM 1411 O GLU A 85 -5.394 -11.266 -5.486 1.00 21.32 O ATOM 1412 CB GLU A 85 -4.233 -14.051 -5.539 1.00 31.24 C ATOM 1413 CG GLU A 85 -4.189 -15.573 -5.453 1.00 52.12 C ATOM 1414 CD GLU A 85 -3.269 -16.192 -6.496 1.00 33.20 C ATOM 1415 OE1 GLU A 85 -3.467 -15.931 -7.702 1.00 13.20 O ATOM 1416 OE2 GLU A 85 -2.350 -16.952 -6.118 1.00 0.42 O ATOM 0 H GLU A 85 -6.705 -14.288 -5.169 1.00 51.10 H new ATOM 0 HA GLU A 85 -4.524 -13.661 -3.434 1.00 1.11 H new ATOM 0 HB2 GLU A 85 -4.707 -13.765 -6.478 1.00 31.24 H new ATOM 0 HB3 GLU A 85 -3.212 -13.671 -5.568 1.00 31.24 H new ATOM 0 HG2 GLU A 85 -3.854 -15.867 -4.458 1.00 52.12 H new ATOM 0 HG3 GLU A 85 -5.196 -15.970 -5.581 1.00 52.12 H new ATOM 1423 N TYR A 86 -4.201 -11.214 -3.582 1.00 10.43 N ATOM 1424 CA TYR A 86 -3.850 -9.797 -3.690 1.00 41.02 C ATOM 1425 C TYR A 86 -2.337 -9.650 -3.908 1.00 41.35 C ATOM 1426 O TYR A 86 -1.569 -9.587 -2.947 1.00 34.23 O ATOM 1427 CB TYR A 86 -4.295 -9.034 -2.431 1.00 74.51 C ATOM 1428 CG TYR A 86 -5.792 -9.105 -2.183 1.00 14.53 C ATOM 1429 CD1 TYR A 86 -6.349 -10.164 -1.474 1.00 21.01 C ATOM 1430 CD2 TYR A 86 -6.648 -8.128 -2.677 1.00 75.42 C ATOM 1431 CE1 TYR A 86 -7.710 -10.244 -1.262 1.00 12.53 C ATOM 1432 CE2 TYR A 86 -8.012 -8.206 -2.472 1.00 31.51 C ATOM 1433 CZ TYR A 86 -8.537 -9.266 -1.764 1.00 45.12 C ATOM 1434 OH TYR A 86 -9.895 -9.354 -1.568 1.00 72.21 O ATOM 0 H TYR A 86 -3.886 -11.657 -2.719 1.00 10.43 H new ATOM 0 HA TYR A 86 -4.370 -9.368 -4.546 1.00 41.02 H new ATOM 0 HB2 TYR A 86 -3.771 -9.439 -1.565 1.00 74.51 H new ATOM 0 HB3 TYR A 86 -3.998 -7.989 -2.524 1.00 74.51 H new ATOM 0 HD1 TYR A 86 -5.705 -10.937 -1.082 1.00 21.01 H new ATOM 0 HD2 TYR A 86 -6.240 -7.295 -3.230 1.00 75.42 H new ATOM 0 HE1 TYR A 86 -8.124 -11.071 -0.704 1.00 12.53 H new ATOM 0 HE2 TYR A 86 -8.664 -7.440 -2.865 1.00 31.51 H new ATOM 0 HH TYR A 86 -10.152 -8.796 -0.805 1.00 72.21 H new ATOM 1444 N PRO A 87 -1.884 -9.643 -5.179 1.00 15.43 N ATOM 1445 CA PRO A 87 -0.452 -9.579 -5.504 1.00 45.32 C ATOM 1446 C PRO A 87 0.162 -8.200 -5.237 1.00 71.44 C ATOM 1447 O PRO A 87 0.151 -7.316 -6.095 1.00 65.22 O ATOM 1448 CB PRO A 87 -0.412 -9.927 -6.998 1.00 45.54 C ATOM 1449 CG PRO A 87 -1.742 -9.496 -7.520 1.00 63.12 C ATOM 1450 CD PRO A 87 -2.724 -9.702 -6.395 1.00 31.01 C ATOM 0 HA PRO A 87 0.136 -10.255 -4.883 1.00 45.32 H new ATOM 0 HB2 PRO A 87 0.401 -9.406 -7.505 1.00 45.54 H new ATOM 0 HB3 PRO A 87 -0.252 -10.994 -7.152 1.00 45.54 H new ATOM 0 HG2 PRO A 87 -1.718 -8.451 -7.829 1.00 63.12 H new ATOM 0 HG3 PRO A 87 -2.025 -10.081 -8.395 1.00 63.12 H new ATOM 0 HD2 PRO A 87 -3.493 -8.929 -6.388 1.00 31.01 H new ATOM 0 HD3 PRO A 87 -3.236 -10.660 -6.481 1.00 31.01 H new ATOM 1458 N ALA A 88 0.674 -8.016 -4.026 1.00 73.12 N ATOM 1459 CA ALA A 88 1.337 -6.772 -3.650 1.00 62.21 C ATOM 1460 C ALA A 88 2.671 -6.601 -4.396 1.00 21.42 C ATOM 1461 O ALA A 88 3.736 -6.985 -3.897 1.00 13.42 O ATOM 1462 CB ALA A 88 1.545 -6.724 -2.140 1.00 14.31 C ATOM 0 H ALA A 88 0.643 -8.715 -3.284 1.00 73.12 H new ATOM 0 HA ALA A 88 0.694 -5.941 -3.940 1.00 62.21 H new ATOM 0 HB1 ALA A 88 2.041 -5.791 -1.870 1.00 14.31 H new ATOM 0 HB2 ALA A 88 0.579 -6.780 -1.638 1.00 14.31 H new ATOM 0 HB3 ALA A 88 2.164 -7.566 -1.831 1.00 14.31 H new ATOM 1468 N VAL A 89 2.598 -6.062 -5.612 1.00 44.54 N ATOM 1469 CA VAL A 89 3.792 -5.768 -6.408 1.00 33.54 C ATOM 1470 C VAL A 89 4.341 -4.375 -6.058 1.00 14.22 C ATOM 1471 O VAL A 89 3.646 -3.368 -6.197 1.00 34.25 O ATOM 1472 CB VAL A 89 3.487 -5.848 -7.926 1.00 63.21 C ATOM 1473 CG1 VAL A 89 4.744 -5.575 -8.753 1.00 30.12 C ATOM 1474 CG2 VAL A 89 2.883 -7.207 -8.284 1.00 73.01 C ATOM 0 H VAL A 89 1.720 -5.818 -6.071 1.00 44.54 H new ATOM 0 HA VAL A 89 4.545 -6.519 -6.169 1.00 33.54 H new ATOM 0 HB VAL A 89 2.756 -5.076 -8.165 1.00 63.21 H new ATOM 0 HG11 VAL A 89 4.502 -5.637 -9.814 1.00 30.12 H new ATOM 0 HG12 VAL A 89 5.120 -4.578 -8.525 1.00 30.12 H new ATOM 0 HG13 VAL A 89 5.507 -6.315 -8.511 1.00 30.12 H new ATOM 0 HG21 VAL A 89 2.676 -7.243 -9.354 1.00 73.01 H new ATOM 0 HG22 VAL A 89 3.587 -7.998 -8.024 1.00 73.01 H new ATOM 0 HG23 VAL A 89 1.955 -7.350 -7.730 1.00 73.01 H new ATOM 1484 N VAL A 90 5.589 -4.319 -5.600 1.00 60.41 N ATOM 1485 CA VAL A 90 6.169 -3.066 -5.102 1.00 23.44 C ATOM 1486 C VAL A 90 7.025 -2.344 -6.161 1.00 72.51 C ATOM 1487 O VAL A 90 7.978 -2.904 -6.707 1.00 64.23 O ATOM 1488 CB VAL A 90 7.004 -3.320 -3.815 1.00 33.42 C ATOM 1489 CG1 VAL A 90 8.070 -4.393 -4.041 1.00 52.01 C ATOM 1490 CG2 VAL A 90 7.632 -2.027 -3.298 1.00 11.40 C ATOM 0 H VAL A 90 6.219 -5.120 -5.562 1.00 60.41 H new ATOM 0 HA VAL A 90 5.333 -2.408 -4.864 1.00 23.44 H new ATOM 0 HB VAL A 90 6.319 -3.689 -3.051 1.00 33.42 H new ATOM 0 HG11 VAL A 90 8.634 -4.545 -3.121 1.00 52.01 H new ATOM 0 HG12 VAL A 90 7.590 -5.328 -4.330 1.00 52.01 H new ATOM 0 HG13 VAL A 90 8.747 -4.072 -4.833 1.00 52.01 H new ATOM 0 HG21 VAL A 90 8.209 -2.237 -2.398 1.00 11.40 H new ATOM 0 HG22 VAL A 90 8.289 -1.611 -4.062 1.00 11.40 H new ATOM 0 HG23 VAL A 90 6.846 -1.308 -3.065 1.00 11.40 H new ATOM 1500 N GLU A 91 6.661 -1.095 -6.460 1.00 24.12 N ATOM 1501 CA GLU A 91 7.470 -0.230 -7.330 1.00 22.44 C ATOM 1502 C GLU A 91 7.601 1.170 -6.711 1.00 42.42 C ATOM 1503 O GLU A 91 6.890 1.502 -5.761 1.00 73.54 O ATOM 1504 CB GLU A 91 6.857 -0.121 -8.738 1.00 1.33 C ATOM 1505 CG GLU A 91 5.582 0.721 -8.803 1.00 61.13 C ATOM 1506 CD GLU A 91 5.105 0.978 -10.226 1.00 43.32 C ATOM 1507 OE1 GLU A 91 5.943 1.325 -11.087 1.00 23.25 O ATOM 1508 OE2 GLU A 91 3.892 0.835 -10.488 1.00 73.10 O ATOM 0 H GLU A 91 5.808 -0.656 -6.112 1.00 24.12 H new ATOM 0 HA GLU A 91 8.458 -0.680 -7.422 1.00 22.44 H new ATOM 0 HB2 GLU A 91 7.598 0.309 -9.412 1.00 1.33 H new ATOM 0 HB3 GLU A 91 6.636 -1.123 -9.105 1.00 1.33 H new ATOM 0 HG2 GLU A 91 4.792 0.216 -8.247 1.00 61.13 H new ATOM 0 HG3 GLU A 91 5.759 1.676 -8.308 1.00 61.13 H new ATOM 1515 N PHE A 92 8.491 1.990 -7.253 1.00 4.13 N ATOM 1516 CA PHE A 92 8.721 3.338 -6.716 1.00 52.14 C ATOM 1517 C PHE A 92 8.352 4.425 -7.739 1.00 12.42 C ATOM 1518 O PHE A 92 8.302 4.171 -8.943 1.00 43.23 O ATOM 1519 CB PHE A 92 10.188 3.497 -6.281 1.00 32.30 C ATOM 1520 CG PHE A 92 11.189 3.326 -7.402 1.00 1.55 C ATOM 1521 CD1 PHE A 92 11.571 2.058 -7.824 1.00 34.41 C ATOM 1522 CD2 PHE A 92 11.750 4.430 -8.030 1.00 54.52 C ATOM 1523 CE1 PHE A 92 12.486 1.898 -8.848 1.00 23.11 C ATOM 1524 CE2 PHE A 92 12.666 4.273 -9.053 1.00 21.14 C ATOM 1525 CZ PHE A 92 13.034 3.007 -9.463 1.00 11.24 C ATOM 0 H PHE A 92 9.067 1.753 -8.061 1.00 4.13 H new ATOM 0 HA PHE A 92 8.074 3.463 -5.847 1.00 52.14 H new ATOM 0 HB2 PHE A 92 10.319 4.485 -5.839 1.00 32.30 H new ATOM 0 HB3 PHE A 92 10.405 2.768 -5.501 1.00 32.30 H new ATOM 0 HD1 PHE A 92 11.148 1.187 -7.346 1.00 34.41 H new ATOM 0 HD2 PHE A 92 11.467 5.424 -7.715 1.00 54.52 H new ATOM 0 HE1 PHE A 92 12.772 0.907 -9.167 1.00 23.11 H new ATOM 0 HE2 PHE A 92 13.094 5.141 -9.532 1.00 21.14 H new ATOM 0 HZ PHE A 92 13.749 2.884 -10.263 1.00 11.24 H new ATOM 1535 N ALA A 93 8.104 5.636 -7.247 1.00 42.14 N ATOM 1536 CA ALA A 93 7.777 6.777 -8.105 1.00 34.15 C ATOM 1537 C ALA A 93 9.026 7.288 -8.844 1.00 2.21 C ATOM 1538 O ALA A 93 9.988 7.732 -8.215 1.00 5.34 O ATOM 1539 CB ALA A 93 7.150 7.896 -7.276 1.00 24.34 C ATOM 0 H ALA A 93 8.123 5.856 -6.251 1.00 42.14 H new ATOM 0 HA ALA A 93 7.056 6.447 -8.853 1.00 34.15 H new ATOM 0 HB1 ALA A 93 6.911 8.739 -7.924 1.00 24.34 H new ATOM 0 HB2 ALA A 93 6.238 7.532 -6.804 1.00 24.34 H new ATOM 0 HB3 ALA A 93 7.853 8.217 -6.507 1.00 24.34 H new ATOM 1545 N PRO A 94 9.032 7.235 -10.193 1.00 24.44 N ATOM 1546 CA PRO A 94 10.186 7.671 -10.995 1.00 14.13 C ATOM 1547 C PRO A 94 10.592 9.128 -10.714 1.00 53.52 C ATOM 1548 O PRO A 94 9.859 10.066 -11.037 1.00 62.24 O ATOM 1549 CB PRO A 94 9.710 7.502 -12.453 1.00 34.41 C ATOM 1550 CG PRO A 94 8.221 7.393 -12.368 1.00 73.32 C ATOM 1551 CD PRO A 94 7.931 6.749 -11.039 1.00 23.54 C ATOM 0 HA PRO A 94 11.077 7.089 -10.761 1.00 14.13 H new ATOM 0 HB2 PRO A 94 10.008 8.353 -13.066 1.00 34.41 H new ATOM 0 HB3 PRO A 94 10.145 6.612 -12.909 1.00 34.41 H new ATOM 0 HG2 PRO A 94 7.753 8.375 -12.437 1.00 73.32 H new ATOM 0 HG3 PRO A 94 7.826 6.793 -13.188 1.00 73.32 H new ATOM 0 HD2 PRO A 94 6.958 7.048 -10.648 1.00 23.54 H new ATOM 0 HD3 PRO A 94 7.925 5.661 -11.110 1.00 23.54 H new ATOM 1559 N PHE A 95 11.765 9.308 -10.105 1.00 33.54 N ATOM 1560 CA PHE A 95 12.287 10.646 -9.779 1.00 51.21 C ATOM 1561 C PHE A 95 12.751 11.418 -11.032 1.00 14.01 C ATOM 1562 O PHE A 95 13.235 12.547 -10.933 1.00 52.34 O ATOM 1563 CB PHE A 95 13.441 10.529 -8.766 1.00 65.25 C ATOM 1564 CG PHE A 95 14.482 9.495 -9.131 1.00 43.24 C ATOM 1565 CD1 PHE A 95 15.455 9.766 -10.084 1.00 55.52 C ATOM 1566 CD2 PHE A 95 14.484 8.247 -8.518 1.00 52.40 C ATOM 1567 CE1 PHE A 95 16.404 8.819 -10.417 1.00 42.14 C ATOM 1568 CE2 PHE A 95 15.432 7.298 -8.848 1.00 51.44 C ATOM 1569 CZ PHE A 95 16.392 7.583 -9.799 1.00 40.11 C ATOM 0 H PHE A 95 12.378 8.543 -9.824 1.00 33.54 H new ATOM 0 HA PHE A 95 11.469 11.215 -9.337 1.00 51.21 H new ATOM 0 HB2 PHE A 95 13.927 11.500 -8.672 1.00 65.25 H new ATOM 0 HB3 PHE A 95 13.028 10.283 -7.788 1.00 65.25 H new ATOM 0 HD1 PHE A 95 15.470 10.730 -10.571 1.00 55.52 H new ATOM 0 HD2 PHE A 95 13.735 8.017 -7.775 1.00 52.40 H new ATOM 0 HE1 PHE A 95 17.155 9.044 -11.160 1.00 42.14 H new ATOM 0 HE2 PHE A 95 15.422 6.333 -8.362 1.00 51.44 H new ATOM 0 HZ PHE A 95 17.132 6.841 -10.059 1.00 40.11 H new ATOM 1579 N GLN A 96 12.599 10.805 -12.204 1.00 53.52 N ATOM 1580 CA GLN A 96 12.954 11.449 -13.473 1.00 61.33 C ATOM 1581 C GLN A 96 11.971 12.573 -13.831 1.00 41.41 C ATOM 1582 O GLN A 96 10.761 12.443 -13.634 1.00 13.15 O ATOM 1583 CB GLN A 96 13.002 10.404 -14.595 1.00 60.51 C ATOM 1584 CG GLN A 96 14.161 9.424 -14.460 1.00 2.01 C ATOM 1585 CD GLN A 96 15.519 10.108 -14.529 1.00 71.14 C ATOM 1586 OE1 GLN A 96 15.630 11.159 -15.319 1.00 20.23 O flip ATOM 1587 NE2 GLN A 96 16.473 9.682 -13.886 1.00 74.43 N flip ATOM 0 H GLN A 96 12.231 9.859 -12.304 1.00 53.52 H new ATOM 0 HA GLN A 96 13.940 11.899 -13.358 1.00 61.33 H new ATOM 0 HB2 GLN A 96 12.065 9.848 -14.604 1.00 60.51 H new ATOM 0 HB3 GLN A 96 13.078 10.915 -15.555 1.00 60.51 H new ATOM 0 HG2 GLN A 96 14.074 8.893 -13.512 1.00 2.01 H new ATOM 0 HG3 GLN A 96 14.094 8.677 -15.251 1.00 2.01 H new ATOM 0 HE21 GLN A 96 16.359 8.867 -13.283 1.00 74.43 H new ATOM 0 HE22 GLN A 96 17.381 10.142 -13.955 1.00 74.43 H new ATOM 1596 N LYS A 97 12.502 13.672 -14.359 1.00 14.33 N ATOM 1597 CA LYS A 97 11.683 14.832 -14.735 1.00 54.32 C ATOM 1598 C LYS A 97 11.085 14.663 -16.149 1.00 11.53 C ATOM 1599 O LYS A 97 9.883 14.334 -16.259 1.00 37.13 O ATOM 1600 CB LYS A 97 12.529 16.114 -14.653 1.00 10.35 C ATOM 1601 CG LYS A 97 11.752 17.397 -14.934 1.00 10.54 C ATOM 1602 CD LYS A 97 10.595 17.586 -13.960 1.00 63.14 C ATOM 1603 CE LYS A 97 9.800 18.850 -14.263 1.00 31.22 C ATOM 1604 NZ LYS A 97 8.615 18.978 -13.377 1.00 33.53 N ATOM 1605 OXT LYS A 97 11.825 14.835 -17.144 1.00 37.13 O ATOM 0 H LYS A 97 13.499 13.789 -14.539 1.00 14.33 H new ATOM 0 HA LYS A 97 10.851 14.908 -14.035 1.00 54.32 H new ATOM 0 HB2 LYS A 97 12.971 16.181 -13.659 1.00 10.35 H new ATOM 0 HB3 LYS A 97 13.352 16.038 -15.363 1.00 10.35 H new ATOM 0 HG2 LYS A 97 12.426 18.251 -14.867 1.00 10.54 H new ATOM 0 HG3 LYS A 97 11.368 17.373 -15.954 1.00 10.54 H new ATOM 0 HD2 LYS A 97 9.934 16.721 -14.009 1.00 63.14 H new ATOM 0 HD3 LYS A 97 10.981 17.635 -12.942 1.00 63.14 H new ATOM 0 HE2 LYS A 97 10.442 19.722 -14.140 1.00 31.22 H new ATOM 0 HE3 LYS A 97 9.477 18.836 -15.304 1.00 31.22 H new ATOM 0 HZ1 LYS A 97 8.098 19.849 -13.612 1.00 33.53 H new ATOM 0 HZ2 LYS A 97 7.990 18.158 -13.512 1.00 33.53 H new ATOM 0 HZ3 LYS A 97 8.926 19.017 -12.385 1.00 33.53 H new TER 1619 LYS A 97