USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -63:sc= -1.05 USER MOD Set 1.2: A 70 MET CE :methyl 143:sc= -0.851 (180deg=-1.41) USER MOD Set 2.1: A 10 GLN : amide:sc= 0.81 K(o=1.5,f=-0.64) USER MOD Set 2.2: A 13 SER OG : rot -144:sc= 0.688 USER MOD Single : A 1 MET CE :methyl -127:sc= -1.13 (180deg=-1.46) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0284 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 9 CYS SG : rot -32:sc= 0.503 USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.356 X(o=-0.36,f=-0.68) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.64! C(o=-1.6!,f=-3.1!) USER MOD Single : A 29 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.8) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -91:sc= 0.0707 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.0052) USER MOD Single : A 43 GLN : amide:sc= -0.845 X(o=-0.85,f=-0.91) USER MOD Single : A 44 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0956 X(o=-0.096,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.6) USER MOD Single : A 62 LYS NZ :NH3+ -116:sc= -0.639 (180deg=-3.72!) USER MOD Single : A 66 SER OG : rot 88:sc= 0.0543 USER MOD Single : A 67 THR OG1 : rot -23:sc= 1.05 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 78 ASN : amide:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : A 84 GLN : amide:sc= -0.846 X(o=-0.85,f=-1.2) USER MOD Single : A 86 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot -86:sc= 1.2 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000238) USER MOD Single : A 94 CYS SG : rot -27:sc= -2.55! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.127 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.071 -1.628 0.179 1.00 0.00 N ATOM 2 CA MET A 1 3.178 -1.016 -1.140 1.00 0.00 C ATOM 3 C MET A 1 2.431 -1.840 -2.184 1.00 0.00 C ATOM 4 O MET A 1 2.386 -3.068 -2.103 1.00 0.00 O ATOM 5 CB MET A 1 4.647 -0.872 -1.542 1.00 0.00 C ATOM 6 CG MET A 1 4.844 -0.216 -2.899 1.00 0.00 C ATOM 7 SD MET A 1 4.134 1.439 -2.980 1.00 0.00 S ATOM 8 CE MET A 1 5.302 2.358 -1.981 1.00 0.00 C ATOM 0 H1 MET A 1 3.973 -1.522 0.685 1.00 0.00 H new ATOM 0 H2 MET A 1 2.315 -1.161 0.718 1.00 0.00 H new ATOM 0 H3 MET A 1 2.849 -2.639 0.076 1.00 0.00 H new ATOM 0 HA MET A 1 2.724 -0.026 -1.091 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.167 -0.285 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.110 -1.859 -1.554 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.910 -0.161 -3.120 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.390 -0.840 -3.669 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.766 2.903 -1.203 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.008 1.668 -1.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.843 3.064 -2.611 1.00 0.00 H new ATOM 18 N ASP A 2 1.846 -1.158 -3.162 1.00 0.00 N ATOM 19 CA ASP A 2 1.101 -1.828 -4.222 1.00 0.00 C ATOM 20 C ASP A 2 2.048 -2.418 -5.262 1.00 0.00 C ATOM 21 O ASP A 2 3.109 -1.860 -5.537 1.00 0.00 O ATOM 22 CB ASP A 2 0.134 -0.850 -4.892 1.00 0.00 C ATOM 23 CG ASP A 2 -1.008 -1.555 -5.595 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.610 -2.463 -4.984 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.300 -1.201 -6.757 1.00 0.00 O ATOM 0 H ASP A 2 1.873 -0.142 -3.243 1.00 0.00 H new ATOM 0 HA ASP A 2 0.530 -2.641 -3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.270 -0.171 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.679 -0.241 -5.613 1.00 0.00 H new ATOM 30 N ASN A 3 1.657 -3.552 -5.835 1.00 0.00 N ATOM 31 CA ASN A 3 2.472 -4.219 -6.843 1.00 0.00 C ATOM 32 C ASN A 3 2.691 -3.315 -8.052 1.00 0.00 C ATOM 33 O ASN A 3 3.809 -3.191 -8.554 1.00 0.00 O ATOM 34 CB ASN A 3 1.807 -5.525 -7.284 1.00 0.00 C ATOM 35 CG ASN A 3 2.793 -6.493 -7.910 1.00 0.00 C ATOM 36 OD1 ASN A 3 3.137 -7.516 -7.318 1.00 0.00 O ATOM 37 ND2 ASN A 3 3.251 -6.173 -9.115 1.00 0.00 N ATOM 0 H ASN A 3 0.781 -4.028 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 3 3.442 -4.444 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.335 -5.998 -6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.016 -5.303 -8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 3 3.916 -6.786 -9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.938 -5.314 -9.568 1.00 0.00 H new ATOM 44 N ARG A 4 1.617 -2.683 -8.514 1.00 0.00 N ATOM 45 CA ARG A 4 1.691 -1.790 -9.664 1.00 0.00 C ATOM 46 C ARG A 4 2.728 -0.695 -9.436 1.00 0.00 C ATOM 47 O ARG A 4 3.576 -0.440 -10.292 1.00 0.00 O ATOM 48 CB ARG A 4 0.323 -1.163 -9.939 1.00 0.00 C ATOM 49 CG ARG A 4 -0.654 -2.106 -10.622 1.00 0.00 C ATOM 50 CD ARG A 4 -1.699 -1.343 -11.420 1.00 0.00 C ATOM 51 NE ARG A 4 -2.934 -2.108 -11.576 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.871 -2.189 -10.638 1.00 0.00 C ATOM 53 NH1 ARG A 4 -3.716 -1.555 -9.484 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.968 -2.904 -10.854 1.00 0.00 N ATOM 0 H ARG A 4 0.685 -2.773 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 4 1.994 -2.378 -10.530 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.109 -0.826 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.457 -0.279 -10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.109 -2.779 -11.284 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.147 -2.726 -9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.918 -0.399 -10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.297 -1.099 -12.403 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.085 -2.607 -12.453 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.875 -1.003 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.437 -1.619 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.092 -3.392 -11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.687 -2.966 -10.133 1.00 0.00 H new ATOM 68 N VAL A 5 2.655 -0.050 -8.276 1.00 0.00 N ATOM 69 CA VAL A 5 3.587 1.018 -7.934 1.00 0.00 C ATOM 70 C VAL A 5 4.990 0.469 -7.703 1.00 0.00 C ATOM 71 O VAL A 5 5.982 1.093 -8.081 1.00 0.00 O ATOM 72 CB VAL A 5 3.132 1.780 -6.676 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.069 2.942 -6.386 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.699 2.267 -6.837 1.00 0.00 C ATOM 0 H VAL A 5 1.960 -0.249 -7.557 1.00 0.00 H new ATOM 0 HA VAL A 5 3.603 1.706 -8.779 1.00 0.00 H new ATOM 0 HB VAL A 5 3.167 1.097 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.731 3.468 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.078 2.564 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.071 3.628 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.394 2.803 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.636 2.934 -7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.040 1.413 -6.991 1.00 0.00 H new ATOM 84 N ARG A 6 5.066 -0.703 -7.080 1.00 0.00 N ATOM 85 CA ARG A 6 6.349 -1.336 -6.798 1.00 0.00 C ATOM 86 C ARG A 6 7.174 -1.485 -8.072 1.00 0.00 C ATOM 87 O ARG A 6 8.400 -1.381 -8.045 1.00 0.00 O ATOM 88 CB ARG A 6 6.133 -2.706 -6.153 1.00 0.00 C ATOM 89 CG ARG A 6 7.315 -3.181 -5.322 1.00 0.00 C ATOM 90 CD ARG A 6 6.864 -3.747 -3.985 1.00 0.00 C ATOM 91 NE ARG A 6 7.860 -4.644 -3.406 1.00 0.00 N ATOM 92 CZ ARG A 6 7.584 -5.538 -2.463 1.00 0.00 C ATOM 93 NH1 ARG A 6 6.349 -5.654 -1.995 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.545 -6.319 -1.987 1.00 0.00 N ATOM 0 H ARG A 6 4.255 -1.233 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 6 6.897 -0.698 -6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.247 -2.664 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.931 -3.439 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.866 -3.943 -5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.000 -2.350 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.668 -2.928 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.925 -4.285 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 6 8.820 -4.581 -3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.607 -5.056 -2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.140 -6.341 -1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.496 -6.233 -2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.333 -7.005 -1.263 1.00 0.00 H new ATOM 108 N GLU A 7 6.493 -1.731 -9.187 1.00 0.00 N ATOM 109 CA GLU A 7 7.164 -1.896 -10.471 1.00 0.00 C ATOM 110 C GLU A 7 7.700 -0.562 -10.980 1.00 0.00 C ATOM 111 O GLU A 7 8.740 -0.508 -11.635 1.00 0.00 O ATOM 112 CB GLU A 7 6.204 -2.499 -11.499 1.00 0.00 C ATOM 113 CG GLU A 7 6.704 -3.797 -12.111 1.00 0.00 C ATOM 114 CD GLU A 7 8.141 -3.704 -12.584 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.359 -3.297 -13.744 1.00 0.00 O ATOM 116 OE2 GLU A 7 9.048 -4.037 -11.793 1.00 0.00 O ATOM 0 H GLU A 7 5.478 -1.820 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 7 8.005 -2.575 -10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.241 -2.680 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.035 -1.774 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.619 -4.597 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.065 -4.067 -12.952 1.00 0.00 H new ATOM 123 N ALA A 8 6.981 0.514 -10.674 1.00 0.00 N ATOM 124 CA ALA A 8 7.385 1.848 -11.099 1.00 0.00 C ATOM 125 C ALA A 8 8.579 2.344 -10.290 1.00 0.00 C ATOM 126 O ALA A 8 9.548 2.860 -10.849 1.00 0.00 O ATOM 127 CB ALA A 8 6.219 2.818 -10.970 1.00 0.00 C ATOM 0 H ALA A 8 6.116 0.487 -10.134 1.00 0.00 H new ATOM 0 HA ALA A 8 7.685 1.794 -12.145 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.534 3.811 -11.291 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.393 2.480 -11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.893 2.859 -9.931 1.00 0.00 H new ATOM 133 N CYS A 9 8.504 2.185 -8.974 1.00 0.00 N ATOM 134 CA CYS A 9 9.579 2.618 -8.088 1.00 0.00 C ATOM 135 C CYS A 9 10.857 1.832 -8.361 1.00 0.00 C ATOM 136 O CYS A 9 11.962 2.348 -8.194 1.00 0.00 O ATOM 137 CB CYS A 9 9.163 2.448 -6.626 1.00 0.00 C ATOM 138 SG CYS A 9 9.255 0.745 -6.025 1.00 0.00 S ATOM 0 H CYS A 9 7.710 1.759 -8.496 1.00 0.00 H new ATOM 0 HA CYS A 9 9.774 3.673 -8.282 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.799 3.077 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.142 2.810 -6.506 1.00 0.00 H new ATOM 0 HG CYS A 9 8.991 -0.074 -6.999 1.00 0.00 H new ATOM 144 N GLN A 10 10.698 0.580 -8.779 1.00 0.00 N ATOM 145 CA GLN A 10 11.840 -0.278 -9.072 1.00 0.00 C ATOM 146 C GLN A 10 12.680 0.302 -10.205 1.00 0.00 C ATOM 147 O GLN A 10 13.906 0.188 -10.203 1.00 0.00 O ATOM 148 CB GLN A 10 11.367 -1.685 -9.440 1.00 0.00 C ATOM 149 CG GLN A 10 12.488 -2.605 -9.896 1.00 0.00 C ATOM 150 CD GLN A 10 13.594 -2.731 -8.866 1.00 0.00 C ATOM 151 OE1 GLN A 10 14.725 -2.301 -9.097 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.272 -3.321 -7.721 1.00 0.00 N ATOM 0 H GLN A 10 9.790 0.138 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 10 12.460 -0.334 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.872 -2.130 -8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.622 -1.613 -10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.079 -3.593 -10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.907 -2.227 -10.829 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.322 -3.662 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.974 -3.433 -6.990 1.00 0.00 H new ATOM 161 N TYR A 11 12.013 0.923 -11.171 1.00 0.00 N ATOM 162 CA TYR A 11 12.698 1.518 -12.312 1.00 0.00 C ATOM 163 C TYR A 11 13.594 2.671 -11.869 1.00 0.00 C ATOM 164 O TYR A 11 14.673 2.881 -12.424 1.00 0.00 O ATOM 165 CB TYR A 11 11.681 2.015 -13.342 1.00 0.00 C ATOM 166 CG TYR A 11 12.242 3.039 -14.302 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.330 2.738 -15.112 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.684 4.307 -14.400 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.847 3.671 -15.990 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.193 5.246 -15.276 1.00 0.00 C ATOM 171 CZ TYR A 11 13.275 4.923 -16.069 1.00 0.00 C ATOM 172 OH TYR A 11 13.785 5.855 -16.944 1.00 0.00 O ATOM 0 H TYR A 11 10.998 1.027 -11.187 1.00 0.00 H new ATOM 0 HA TYR A 11 13.323 0.750 -12.769 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.306 1.164 -13.910 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.829 2.449 -12.819 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.779 1.758 -15.054 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.837 4.563 -13.780 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.694 3.421 -16.611 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.747 6.227 -15.340 1.00 0.00 H new ATOM 0 HH TYR A 11 14.173 5.398 -17.719 1.00 0.00 H new ATOM 182 N ILE A 12 13.138 3.414 -10.866 1.00 0.00 N ATOM 183 CA ILE A 12 13.898 4.544 -10.346 1.00 0.00 C ATOM 184 C ILE A 12 15.205 4.082 -9.711 1.00 0.00 C ATOM 185 O ILE A 12 16.227 4.762 -9.804 1.00 0.00 O ATOM 186 CB ILE A 12 13.087 5.337 -9.305 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.756 5.796 -9.905 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.888 6.530 -8.806 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.819 6.417 -8.894 1.00 0.00 C ATOM 0 H ILE A 12 12.246 3.254 -10.397 1.00 0.00 H new ATOM 0 HA ILE A 12 14.118 5.193 -11.194 1.00 0.00 H new ATOM 0 HB ILE A 12 12.877 4.685 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.954 6.519 -10.697 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.262 4.942 -10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.301 7.080 -8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.812 6.181 -8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.126 7.185 -9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.896 6.718 -9.390 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.591 5.690 -8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.293 7.291 -8.447 1.00 0.00 H new ATOM 201 N SER A 13 15.165 2.920 -9.067 1.00 0.00 N ATOM 202 CA SER A 13 16.346 2.367 -8.414 1.00 0.00 C ATOM 203 C SER A 13 17.476 2.162 -9.418 1.00 0.00 C ATOM 204 O SER A 13 18.633 2.479 -9.141 1.00 0.00 O ATOM 205 CB SER A 13 16.005 1.039 -7.735 1.00 0.00 C ATOM 206 OG SER A 13 16.084 -0.038 -8.653 1.00 0.00 O ATOM 0 H SER A 13 14.328 2.343 -8.983 1.00 0.00 H new ATOM 0 HA SER A 13 16.679 3.078 -7.658 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.690 0.865 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.001 1.089 -7.314 1.00 0.00 H new ATOM 0 HG SER A 13 15.382 -0.691 -8.452 1.00 0.00 H new ATOM 212 N ASP A 14 17.132 1.630 -10.586 1.00 0.00 N ATOM 213 CA ASP A 14 18.116 1.383 -11.633 1.00 0.00 C ATOM 214 C ASP A 14 18.784 2.683 -12.069 1.00 0.00 C ATOM 215 O ASP A 14 19.922 2.682 -12.539 1.00 0.00 O ATOM 216 CB ASP A 14 17.455 0.706 -12.835 1.00 0.00 C ATOM 217 CG ASP A 14 18.437 -0.107 -13.655 1.00 0.00 C ATOM 218 OD1 ASP A 14 18.721 -1.259 -13.267 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.922 0.409 -14.683 1.00 0.00 O ATOM 0 H ASP A 14 16.179 1.362 -10.831 1.00 0.00 H new ATOM 0 HA ASP A 14 18.881 0.720 -11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.652 0.056 -12.486 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.998 1.465 -13.469 1.00 0.00 H new ATOM 224 N HIS A 15 18.067 3.792 -11.912 1.00 0.00 N ATOM 225 CA HIS A 15 18.590 5.100 -12.290 1.00 0.00 C ATOM 226 C HIS A 15 18.949 5.920 -11.054 1.00 0.00 C ATOM 227 O HIS A 15 19.091 7.141 -11.126 1.00 0.00 O ATOM 228 CB HIS A 15 17.567 5.856 -13.138 1.00 0.00 C ATOM 229 CG HIS A 15 17.441 5.331 -14.535 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.856 6.036 -15.644 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.944 4.160 -14.999 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.618 5.323 -16.731 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.065 4.180 -16.366 1.00 0.00 N ATOM 0 H HIS A 15 17.123 3.811 -11.526 1.00 0.00 H new ATOM 0 HA HIS A 15 19.495 4.946 -12.877 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.594 5.804 -12.650 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.848 6.908 -13.178 1.00 0.00 H new ATOM 0 HD1 HIS A 15 18.281 6.963 -15.628 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.530 3.359 -14.404 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.838 5.623 -17.745 1.00 0.00 H new ATOM 241 N LEU A 16 19.094 5.241 -9.922 1.00 0.00 N ATOM 242 CA LEU A 16 19.437 5.906 -8.669 1.00 0.00 C ATOM 243 C LEU A 16 20.744 6.680 -8.803 1.00 0.00 C ATOM 244 O LEU A 16 20.974 7.656 -8.091 1.00 0.00 O ATOM 245 CB LEU A 16 19.551 4.881 -7.539 1.00 0.00 C ATOM 246 CG LEU A 16 19.611 5.449 -6.121 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.355 6.249 -5.813 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.796 4.331 -5.106 1.00 0.00 C ATOM 0 H LEU A 16 18.980 4.230 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 16 18.641 6.612 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.699 4.204 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.446 4.283 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 16 20.469 6.118 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.416 6.646 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.266 7.073 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.482 5.602 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.837 4.754 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 16 18.959 3.636 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.725 3.801 -5.314 1.00 0.00 H new ATOM 260 N ALA A 17 21.596 6.237 -9.722 1.00 0.00 N ATOM 261 CA ALA A 17 22.878 6.891 -9.953 1.00 0.00 C ATOM 262 C ALA A 17 22.769 7.941 -11.054 1.00 0.00 C ATOM 263 O ALA A 17 23.596 8.848 -11.143 1.00 0.00 O ATOM 264 CB ALA A 17 23.940 5.860 -10.307 1.00 0.00 C ATOM 0 H ALA A 17 21.421 5.428 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 17 23.171 7.397 -9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.892 6.362 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.045 5.150 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.644 5.328 -11.211 1.00 0.00 H new ATOM 270 N ASP A 18 21.745 7.810 -11.890 1.00 0.00 N ATOM 271 CA ASP A 18 21.528 8.748 -12.985 1.00 0.00 C ATOM 272 C ASP A 18 21.262 10.153 -12.453 1.00 0.00 C ATOM 273 O ASP A 18 20.763 10.322 -11.340 1.00 0.00 O ATOM 274 CB ASP A 18 20.357 8.288 -13.854 1.00 0.00 C ATOM 275 CG ASP A 18 20.469 8.779 -15.284 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.609 8.929 -15.772 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.418 9.013 -15.916 1.00 0.00 O ATOM 0 H ASP A 18 21.052 7.064 -11.830 1.00 0.00 H new ATOM 0 HA ASP A 18 22.433 8.775 -13.592 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.311 7.199 -13.849 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.424 8.648 -13.421 1.00 0.00 H new ATOM 282 N SER A 19 21.600 11.158 -13.254 1.00 0.00 N ATOM 283 CA SER A 19 21.402 12.548 -12.862 1.00 0.00 C ATOM 284 C SER A 19 20.070 13.077 -13.388 1.00 0.00 C ATOM 285 O SER A 19 19.300 13.692 -12.652 1.00 0.00 O ATOM 286 CB SER A 19 22.549 13.416 -13.383 1.00 0.00 C ATOM 287 OG SER A 19 22.862 13.094 -14.727 1.00 0.00 O ATOM 0 H SER A 19 22.012 11.035 -14.179 1.00 0.00 H new ATOM 0 HA SER A 19 21.387 12.593 -11.773 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.274 14.468 -13.312 1.00 0.00 H new ATOM 0 HB3 SER A 19 23.430 13.274 -12.757 1.00 0.00 H new ATOM 0 HG SER A 19 23.597 13.664 -15.037 1.00 0.00 H new ATOM 293 N ASN A 20 19.807 12.832 -14.667 1.00 0.00 N ATOM 294 CA ASN A 20 18.570 13.283 -15.293 1.00 0.00 C ATOM 295 C ASN A 20 17.457 12.258 -15.098 1.00 0.00 C ATOM 296 O ASN A 20 17.402 11.245 -15.796 1.00 0.00 O ATOM 297 CB ASN A 20 18.791 13.534 -16.786 1.00 0.00 C ATOM 298 CG ASN A 20 19.937 14.493 -17.047 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.082 15.505 -16.362 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.757 14.177 -18.043 1.00 0.00 N ATOM 0 H ASN A 20 20.434 12.324 -15.290 1.00 0.00 H new ATOM 0 HA ASN A 20 18.269 14.216 -14.815 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.993 12.586 -17.285 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.877 13.936 -17.223 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.546 14.784 -18.266 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.598 13.327 -18.584 1.00 0.00 H new ATOM 307 N PHE A 21 16.571 12.529 -14.146 1.00 0.00 N ATOM 308 CA PHE A 21 15.458 11.631 -13.858 1.00 0.00 C ATOM 309 C PHE A 21 14.160 12.164 -14.456 1.00 0.00 C ATOM 310 O PHE A 21 13.836 13.343 -14.313 1.00 0.00 O ATOM 311 CB PHE A 21 15.300 11.448 -12.347 1.00 0.00 C ATOM 312 CG PHE A 21 14.086 10.651 -11.964 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.773 9.478 -12.630 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.258 11.075 -10.937 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.657 8.741 -12.280 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.142 10.343 -10.581 1.00 0.00 C ATOM 317 CZ PHE A 21 11.840 9.175 -11.254 1.00 0.00 C ATOM 0 H PHE A 21 16.602 13.364 -13.560 1.00 0.00 H new ATOM 0 HA PHE A 21 15.677 10.665 -14.313 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.188 10.954 -11.954 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.245 12.428 -11.874 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.409 9.135 -13.433 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.488 11.988 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.424 7.828 -12.808 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.506 10.684 -9.777 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.967 8.602 -10.979 1.00 0.00 H new ATOM 327 N ASP A 22 13.421 11.287 -15.127 1.00 0.00 N ATOM 328 CA ASP A 22 12.158 11.668 -15.748 1.00 0.00 C ATOM 329 C ASP A 22 10.991 10.923 -15.107 1.00 0.00 C ATOM 330 O ASP A 22 10.972 9.692 -15.072 1.00 0.00 O ATOM 331 CB ASP A 22 12.197 11.384 -17.250 1.00 0.00 C ATOM 332 CG ASP A 22 11.297 12.316 -18.039 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.314 12.823 -17.459 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.577 12.538 -19.235 1.00 0.00 O ATOM 0 H ASP A 22 13.675 10.307 -15.255 1.00 0.00 H new ATOM 0 HA ASP A 22 12.013 12.737 -15.592 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.221 11.483 -17.609 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.894 10.352 -17.430 1.00 0.00 H new ATOM 339 N ILE A 23 10.021 11.677 -14.601 1.00 0.00 N ATOM 340 CA ILE A 23 8.851 11.087 -13.962 1.00 0.00 C ATOM 341 C ILE A 23 7.966 10.377 -14.981 1.00 0.00 C ATOM 342 O ILE A 23 7.269 9.418 -14.652 1.00 0.00 O ATOM 343 CB ILE A 23 8.015 12.151 -13.226 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.958 11.482 -12.346 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.361 13.094 -14.225 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.094 12.464 -11.586 1.00 0.00 C ATOM 0 H ILE A 23 10.022 12.697 -14.621 1.00 0.00 H new ATOM 0 HA ILE A 23 9.220 10.361 -13.238 1.00 0.00 H new ATOM 0 HB ILE A 23 8.677 12.733 -12.586 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.320 10.857 -12.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.454 10.821 -11.635 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.774 13.840 -13.690 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.132 13.592 -14.813 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.709 12.526 -14.888 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.367 11.919 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.721 13.073 -10.935 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.570 13.109 -12.291 1.00 0.00 H new ATOM 358 N ALA A 24 8.001 10.855 -16.221 1.00 0.00 N ATOM 359 CA ALA A 24 7.206 10.264 -17.290 1.00 0.00 C ATOM 360 C ALA A 24 7.580 8.802 -17.509 1.00 0.00 C ATOM 361 O ALA A 24 6.714 7.957 -17.732 1.00 0.00 O ATOM 362 CB ALA A 24 7.382 11.055 -18.578 1.00 0.00 C ATOM 0 H ALA A 24 8.571 11.650 -16.510 1.00 0.00 H new ATOM 0 HA ALA A 24 6.158 10.303 -16.993 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.783 10.602 -19.368 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.058 12.084 -18.421 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.432 11.047 -18.870 1.00 0.00 H new ATOM 368 N SER A 25 8.876 8.512 -17.444 1.00 0.00 N ATOM 369 CA SER A 25 9.365 7.152 -17.640 1.00 0.00 C ATOM 370 C SER A 25 8.826 6.220 -16.560 1.00 0.00 C ATOM 371 O SER A 25 8.647 5.023 -16.788 1.00 0.00 O ATOM 372 CB SER A 25 10.895 7.132 -17.631 1.00 0.00 C ATOM 373 OG SER A 25 11.420 7.767 -18.784 1.00 0.00 O ATOM 0 H SER A 25 9.606 9.200 -17.257 1.00 0.00 H new ATOM 0 HA SER A 25 9.010 6.800 -18.609 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.263 7.634 -16.736 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.248 6.102 -17.587 1.00 0.00 H new ATOM 0 HG SER A 25 12.399 7.743 -18.754 1.00 0.00 H new ATOM 379 N VAL A 26 8.569 6.777 -15.381 1.00 0.00 N ATOM 380 CA VAL A 26 8.049 5.997 -14.264 1.00 0.00 C ATOM 381 C VAL A 26 6.602 5.584 -14.508 1.00 0.00 C ATOM 382 O VAL A 26 6.238 4.423 -14.323 1.00 0.00 O ATOM 383 CB VAL A 26 8.130 6.785 -12.943 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.599 5.949 -11.788 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.560 7.231 -12.676 1.00 0.00 C ATOM 0 H VAL A 26 8.712 7.766 -15.174 1.00 0.00 H new ATOM 0 HA VAL A 26 8.670 5.105 -14.185 1.00 0.00 H new ATOM 0 HB VAL A 26 7.506 7.675 -13.032 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.664 6.523 -10.863 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.559 5.685 -11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.193 5.040 -11.694 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.599 7.786 -11.739 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.207 6.356 -12.607 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.900 7.870 -13.491 1.00 0.00 H new ATOM 395 N ALA A 27 5.781 6.542 -14.925 1.00 0.00 N ATOM 396 CA ALA A 27 4.374 6.278 -15.198 1.00 0.00 C ATOM 397 C ALA A 27 4.211 5.372 -16.413 1.00 0.00 C ATOM 398 O ALA A 27 3.488 4.377 -16.364 1.00 0.00 O ATOM 399 CB ALA A 27 3.622 7.584 -15.406 1.00 0.00 C ATOM 0 H ALA A 27 6.066 7.509 -15.081 1.00 0.00 H new ATOM 0 HA ALA A 27 3.953 5.763 -14.335 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.572 7.371 -15.609 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.701 8.196 -14.508 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.053 8.122 -16.251 1.00 0.00 H new ATOM 405 N GLN A 28 4.886 5.723 -17.503 1.00 0.00 N ATOM 406 CA GLN A 28 4.814 4.942 -18.731 1.00 0.00 C ATOM 407 C GLN A 28 5.323 3.522 -18.504 1.00 0.00 C ATOM 408 O GLN A 28 4.812 2.567 -19.090 1.00 0.00 O ATOM 409 CB GLN A 28 5.626 5.616 -19.838 1.00 0.00 C ATOM 410 CG GLN A 28 7.128 5.435 -19.688 1.00 0.00 C ATOM 411 CD GLN A 28 7.627 4.149 -20.316 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.032 3.637 -21.266 1.00 0.00 O ATOM 413 NE2 GLN A 28 8.724 3.619 -19.789 1.00 0.00 N ATOM 0 H GLN A 28 5.489 6.544 -17.560 1.00 0.00 H new ATOM 0 HA GLN A 28 3.769 4.890 -19.037 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.315 5.213 -20.802 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.396 6.681 -19.848 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.640 6.281 -20.147 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.387 5.442 -18.629 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.185 4.077 -19.002 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.106 2.754 -20.171 1.00 0.00 H new ATOM 422 N HIS A 29 6.333 3.391 -17.649 1.00 0.00 N ATOM 423 CA HIS A 29 6.911 2.087 -17.344 1.00 0.00 C ATOM 424 C HIS A 29 5.848 1.132 -16.810 1.00 0.00 C ATOM 425 O HIS A 29 5.891 -0.070 -17.071 1.00 0.00 O ATOM 426 CB HIS A 29 8.041 2.233 -16.324 1.00 0.00 C ATOM 427 CG HIS A 29 8.497 0.929 -15.745 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.625 -0.223 -16.493 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.859 0.598 -14.484 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.044 -1.206 -15.716 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.194 -0.733 -14.491 1.00 0.00 N ATOM 0 H HIS A 29 6.767 4.171 -17.156 1.00 0.00 H new ATOM 0 HA HIS A 29 7.316 1.672 -18.267 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.888 2.726 -16.801 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.708 2.884 -15.515 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.880 1.259 -13.630 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.232 -2.223 -16.029 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.508 -1.270 -13.682 1.00 0.00 H new ATOM 439 N VAL A 30 4.894 1.676 -16.061 1.00 0.00 N ATOM 440 CA VAL A 30 3.819 0.872 -15.491 1.00 0.00 C ATOM 441 C VAL A 30 2.539 1.008 -16.308 1.00 0.00 C ATOM 442 O VAL A 30 1.443 0.744 -15.812 1.00 0.00 O ATOM 443 CB VAL A 30 3.530 1.276 -14.033 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.702 0.910 -13.135 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.222 2.763 -13.943 1.00 0.00 C ATOM 0 H VAL A 30 4.844 2.669 -15.835 1.00 0.00 H new ATOM 0 HA VAL A 30 4.152 -0.166 -15.514 1.00 0.00 H new ATOM 0 HB VAL A 30 2.654 0.726 -13.689 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.480 1.203 -12.109 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.870 -0.166 -13.177 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.597 1.431 -13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.020 3.031 -12.906 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.077 3.334 -14.306 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.348 2.991 -14.553 1.00 0.00 H new ATOM 455 N CYS A 31 2.685 1.420 -17.562 1.00 0.00 N ATOM 456 CA CYS A 31 1.539 1.592 -18.449 1.00 0.00 C ATOM 457 C CYS A 31 0.467 2.455 -17.792 1.00 0.00 C ATOM 458 O CYS A 31 -0.726 2.168 -17.897 1.00 0.00 O ATOM 459 CB CYS A 31 0.954 0.231 -18.829 1.00 0.00 C ATOM 460 SG CYS A 31 1.954 -0.699 -20.014 1.00 0.00 S ATOM 0 H CYS A 31 3.585 1.641 -17.988 1.00 0.00 H new ATOM 0 HA CYS A 31 1.882 2.097 -19.352 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.833 -0.366 -17.925 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.041 0.380 -19.248 1.00 0.00 H new ATOM 0 HG CYS A 31 1.378 -1.836 -20.270 1.00 0.00 H new ATOM 466 N LEU A 32 0.900 3.511 -17.113 1.00 0.00 N ATOM 467 CA LEU A 32 -0.023 4.417 -16.437 1.00 0.00 C ATOM 468 C LEU A 32 0.429 5.866 -16.586 1.00 0.00 C ATOM 469 O LEU A 32 1.576 6.136 -16.941 1.00 0.00 O ATOM 470 CB LEU A 32 -0.129 4.054 -14.954 1.00 0.00 C ATOM 471 CG LEU A 32 -1.504 3.587 -14.475 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.472 3.273 -12.987 1.00 0.00 C ATOM 473 CD2 LEU A 32 -2.560 4.639 -14.778 1.00 0.00 C ATOM 0 H LEU A 32 1.884 3.761 -17.016 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.003 4.312 -16.902 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.595 3.267 -14.740 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.163 4.924 -14.366 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.765 2.675 -15.012 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.459 2.942 -12.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.745 2.484 -12.797 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.189 4.168 -12.432 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.532 4.289 -14.430 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.305 5.568 -14.268 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.601 4.814 -15.853 1.00 0.00 H new ATOM 485 N SER A 33 -0.481 6.795 -16.310 1.00 0.00 N ATOM 486 CA SER A 33 -0.177 8.217 -16.415 1.00 0.00 C ATOM 487 C SER A 33 0.583 8.703 -15.184 1.00 0.00 C ATOM 488 O SER A 33 0.546 8.088 -14.118 1.00 0.00 O ATOM 489 CB SER A 33 -1.465 9.025 -16.584 1.00 0.00 C ATOM 490 OG SER A 33 -1.764 9.228 -17.954 1.00 0.00 O ATOM 0 H SER A 33 -1.434 6.588 -16.012 1.00 0.00 H new ATOM 0 HA SER A 33 0.454 8.364 -17.292 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.291 8.503 -16.102 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.362 9.988 -16.085 1.00 0.00 H new ATOM 0 HG SER A 33 -2.592 9.745 -18.035 1.00 0.00 H new ATOM 496 N PRO A 34 1.289 9.833 -15.333 1.00 0.00 N ATOM 497 CA PRO A 34 2.071 10.428 -14.245 1.00 0.00 C ATOM 498 C PRO A 34 1.188 11.009 -13.147 1.00 0.00 C ATOM 499 O PRO A 34 1.502 10.899 -11.961 1.00 0.00 O ATOM 500 CB PRO A 34 2.860 11.540 -14.942 1.00 0.00 C ATOM 501 CG PRO A 34 2.041 11.894 -16.135 1.00 0.00 C ATOM 502 CD PRO A 34 1.378 10.619 -16.576 1.00 0.00 C ATOM 0 HA PRO A 34 2.699 9.691 -13.744 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.996 12.400 -14.286 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.854 11.199 -15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.300 12.654 -15.888 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.665 12.304 -16.929 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.393 10.806 -17.005 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.964 10.103 -17.336 1.00 0.00 H new ATOM 510 N SER A 35 0.082 11.627 -13.548 1.00 0.00 N ATOM 511 CA SER A 35 -0.846 12.229 -12.597 1.00 0.00 C ATOM 512 C SER A 35 -1.524 11.158 -11.748 1.00 0.00 C ATOM 513 O SER A 35 -1.608 11.280 -10.526 1.00 0.00 O ATOM 514 CB SER A 35 -1.901 13.055 -13.335 1.00 0.00 C ATOM 515 OG SER A 35 -2.213 12.479 -14.592 1.00 0.00 O ATOM 0 H SER A 35 -0.194 11.724 -14.525 1.00 0.00 H new ATOM 0 HA SER A 35 -0.278 12.885 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.804 13.123 -12.728 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.536 14.072 -13.478 1.00 0.00 H new ATOM 0 HG SER A 35 -1.629 12.860 -15.280 1.00 0.00 H new ATOM 521 N ARG A 36 -2.007 10.108 -12.406 1.00 0.00 N ATOM 522 CA ARG A 36 -2.679 9.016 -11.713 1.00 0.00 C ATOM 523 C ARG A 36 -1.687 8.205 -10.884 1.00 0.00 C ATOM 524 O ARG A 36 -1.989 7.789 -9.765 1.00 0.00 O ATOM 525 CB ARG A 36 -3.386 8.104 -12.718 1.00 0.00 C ATOM 526 CG ARG A 36 -4.401 8.828 -13.587 1.00 0.00 C ATOM 527 CD ARG A 36 -5.649 9.195 -12.798 1.00 0.00 C ATOM 528 NE ARG A 36 -6.354 10.330 -13.387 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.330 10.988 -12.771 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.714 10.626 -11.555 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.924 12.011 -13.372 1.00 0.00 N ATOM 0 H ARG A 36 -1.945 9.991 -13.417 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.420 9.448 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.639 7.636 -13.359 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.889 7.302 -12.177 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.951 9.731 -13.999 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.676 8.196 -14.431 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.317 8.335 -12.756 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.372 9.434 -11.771 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.082 10.634 -14.322 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.260 9.840 -11.090 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.464 11.133 -11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.631 12.293 -14.308 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.673 12.516 -12.898 1.00 0.00 H new ATOM 545 N LEU A 37 -0.501 7.983 -11.442 1.00 0.00 N ATOM 546 CA LEU A 37 0.536 7.221 -10.755 1.00 0.00 C ATOM 547 C LEU A 37 1.072 7.992 -9.553 1.00 0.00 C ATOM 548 O LEU A 37 1.253 7.429 -8.473 1.00 0.00 O ATOM 549 CB LEU A 37 1.679 6.896 -11.718 1.00 0.00 C ATOM 550 CG LEU A 37 2.903 6.217 -11.102 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.718 4.708 -11.073 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.162 6.587 -11.873 1.00 0.00 C ATOM 0 H LEU A 37 -0.234 8.320 -12.367 1.00 0.00 H new ATOM 0 HA LEU A 37 0.094 6.291 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.290 6.253 -12.508 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.003 7.823 -12.192 1.00 0.00 H new ATOM 0 HG LEU A 37 3.012 6.569 -10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.599 4.242 -10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.839 4.461 -10.477 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.583 4.338 -12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.023 6.095 -11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.062 6.264 -12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.303 7.667 -11.842 1.00 0.00 H new ATOM 564 N SER A 38 1.323 9.282 -9.748 1.00 0.00 N ATOM 565 CA SER A 38 1.840 10.130 -8.680 1.00 0.00 C ATOM 566 C SER A 38 0.880 10.157 -7.494 1.00 0.00 C ATOM 567 O SER A 38 1.302 10.125 -6.338 1.00 0.00 O ATOM 568 CB SER A 38 2.071 11.552 -9.195 1.00 0.00 C ATOM 569 OG SER A 38 2.505 12.408 -8.153 1.00 0.00 O ATOM 0 H SER A 38 1.177 9.763 -10.635 1.00 0.00 H new ATOM 0 HA SER A 38 2.790 9.713 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.815 11.537 -9.991 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.149 11.940 -9.628 1.00 0.00 H new ATOM 0 HG SER A 38 2.647 13.310 -8.508 1.00 0.00 H new ATOM 575 N HIS A 39 -0.415 10.216 -7.791 1.00 0.00 N ATOM 576 CA HIS A 39 -1.437 10.246 -6.750 1.00 0.00 C ATOM 577 C HIS A 39 -1.351 9.005 -5.868 1.00 0.00 C ATOM 578 O HIS A 39 -1.348 9.102 -4.640 1.00 0.00 O ATOM 579 CB HIS A 39 -2.828 10.346 -7.375 1.00 0.00 C ATOM 580 CG HIS A 39 -3.933 10.434 -6.368 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.585 11.611 -6.067 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.501 9.482 -5.591 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.505 11.380 -5.147 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.475 10.095 -4.842 1.00 0.00 N ATOM 0 H HIS A 39 -0.781 10.244 -8.743 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.262 11.124 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.865 11.224 -8.020 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.995 9.476 -8.010 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.237 8.435 -5.565 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.168 12.116 -4.718 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.078 9.633 -4.161 1.00 0.00 H new ATOM 592 N LEU A 40 -1.281 7.839 -6.501 1.00 0.00 N ATOM 593 CA LEU A 40 -1.195 6.577 -5.773 1.00 0.00 C ATOM 594 C LEU A 40 0.178 6.411 -5.130 1.00 0.00 C ATOM 595 O LEU A 40 0.311 5.791 -4.075 1.00 0.00 O ATOM 596 CB LEU A 40 -1.476 5.403 -6.713 1.00 0.00 C ATOM 597 CG LEU A 40 -2.934 4.953 -6.806 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.081 3.825 -7.816 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.446 4.518 -5.441 1.00 0.00 C ATOM 0 H LEU A 40 -1.282 7.741 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.946 6.590 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.136 5.674 -7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.874 4.553 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.534 5.798 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.125 3.518 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.754 4.170 -8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.469 2.978 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.485 4.201 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.842 3.688 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.377 5.353 -4.744 1.00 0.00 H new ATOM 611 N PHE A 41 1.198 6.971 -5.773 1.00 0.00 N ATOM 612 CA PHE A 41 2.562 6.887 -5.263 1.00 0.00 C ATOM 613 C PHE A 41 2.673 7.550 -3.894 1.00 0.00 C ATOM 614 O PHE A 41 3.184 6.956 -2.944 1.00 0.00 O ATOM 615 CB PHE A 41 3.536 7.546 -6.242 1.00 0.00 C ATOM 616 CG PHE A 41 4.805 6.767 -6.441 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.883 6.945 -5.589 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.919 5.857 -7.479 1.00 0.00 C ATOM 619 CE1 PHE A 41 7.052 6.230 -5.770 1.00 0.00 C ATOM 620 CE2 PHE A 41 6.085 5.139 -7.666 1.00 0.00 C ATOM 621 CZ PHE A 41 7.153 5.325 -6.809 1.00 0.00 C ATOM 0 H PHE A 41 1.106 7.488 -6.648 1.00 0.00 H new ATOM 0 HA PHE A 41 2.820 5.833 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.041 7.671 -7.205 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.784 8.543 -5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.809 7.650 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.087 5.707 -8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.886 6.379 -5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.161 4.434 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.065 4.764 -6.951 1.00 0.00 H new ATOM 631 N ARG A 42 2.190 8.785 -3.800 1.00 0.00 N ATOM 632 CA ARG A 42 2.237 9.530 -2.547 1.00 0.00 C ATOM 633 C ARG A 42 1.299 8.913 -1.513 1.00 0.00 C ATOM 634 O ARG A 42 1.513 9.050 -0.309 1.00 0.00 O ATOM 635 CB ARG A 42 1.859 10.993 -2.786 1.00 0.00 C ATOM 636 CG ARG A 42 1.926 11.851 -1.533 1.00 0.00 C ATOM 637 CD ARG A 42 2.352 13.275 -1.854 1.00 0.00 C ATOM 638 NE ARG A 42 1.241 14.078 -2.357 1.00 0.00 N ATOM 639 CZ ARG A 42 1.258 15.405 -2.409 1.00 0.00 C ATOM 640 NH1 ARG A 42 2.324 16.075 -1.991 1.00 0.00 N ATOM 641 NH2 ARG A 42 0.208 16.066 -2.880 1.00 0.00 N ATOM 0 H ARG A 42 1.762 9.290 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 42 3.256 9.483 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.525 11.413 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.849 11.037 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.951 11.863 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.629 11.410 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.760 13.742 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.151 13.256 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 42 0.406 13.593 -2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.133 15.571 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.334 17.094 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.614 15.555 -3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.223 17.085 -2.919 1.00 0.00 H new ATOM 655 N GLN A 43 0.261 8.236 -1.992 1.00 0.00 N ATOM 656 CA GLN A 43 -0.709 7.600 -1.109 1.00 0.00 C ATOM 657 C GLN A 43 -0.162 6.291 -0.551 1.00 0.00 C ATOM 658 O GLN A 43 -0.379 5.963 0.615 1.00 0.00 O ATOM 659 CB GLN A 43 -2.019 7.342 -1.857 1.00 0.00 C ATOM 660 CG GLN A 43 -3.238 7.294 -0.950 1.00 0.00 C ATOM 661 CD GLN A 43 -3.238 6.086 -0.035 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.182 6.218 1.188 1.00 0.00 O ATOM 663 NE2 GLN A 43 -3.302 4.897 -0.624 1.00 0.00 N ATOM 0 H GLN A 43 0.070 8.114 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.901 8.276 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.162 8.124 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.940 6.398 -2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.273 8.201 -0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.140 7.282 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.347 4.833 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.306 4.048 -0.059 1.00 0.00 H new ATOM 672 N GLN A 44 0.549 5.546 -1.392 1.00 0.00 N ATOM 673 CA GLN A 44 1.127 4.272 -0.982 1.00 0.00 C ATOM 674 C GLN A 44 2.443 4.484 -0.241 1.00 0.00 C ATOM 675 O GLN A 44 2.724 3.810 0.752 1.00 0.00 O ATOM 676 CB GLN A 44 1.354 3.375 -2.201 1.00 0.00 C ATOM 677 CG GLN A 44 0.087 3.092 -2.992 1.00 0.00 C ATOM 678 CD GLN A 44 -0.650 1.864 -2.494 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.034 0.867 -2.116 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.976 1.930 -2.490 1.00 0.00 N ATOM 0 H GLN A 44 0.738 5.803 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 44 0.425 3.784 -0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.085 3.847 -2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.785 2.430 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.574 3.957 -2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.342 2.957 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.445 2.776 -2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.525 1.134 -2.165 1.00 0.00 H new ATOM 689 N LEU A 45 3.246 5.423 -0.728 1.00 0.00 N ATOM 690 CA LEU A 45 4.533 5.724 -0.111 1.00 0.00 C ATOM 691 C LEU A 45 4.383 6.787 0.972 1.00 0.00 C ATOM 692 O LEU A 45 5.278 6.983 1.793 1.00 0.00 O ATOM 693 CB LEU A 45 5.530 6.197 -1.171 1.00 0.00 C ATOM 694 CG LEU A 45 6.823 5.388 -1.284 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.369 5.451 -2.702 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.858 5.895 -0.289 1.00 0.00 C ATOM 0 H LEU A 45 3.029 5.989 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 45 4.909 4.811 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.032 6.186 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.791 7.234 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 45 6.600 4.347 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.289 4.870 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.633 5.040 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.576 6.488 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.772 5.308 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.077 6.943 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.467 5.798 0.724 1.00 0.00 H new ATOM 708 N GLY A 46 3.242 7.470 0.970 1.00 0.00 N ATOM 709 CA GLY A 46 2.994 8.503 1.958 1.00 0.00 C ATOM 710 C GLY A 46 3.925 9.689 1.804 1.00 0.00 C ATOM 711 O GLY A 46 3.966 10.570 2.663 1.00 0.00 O ATOM 0 H GLY A 46 2.485 7.326 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.962 8.842 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.110 8.082 2.957 1.00 0.00 H new ATOM 715 N ILE A 47 4.675 9.712 0.707 1.00 0.00 N ATOM 716 CA ILE A 47 5.611 10.798 0.444 1.00 0.00 C ATOM 717 C ILE A 47 5.773 11.033 -1.054 1.00 0.00 C ATOM 718 O ILE A 47 5.273 10.260 -1.872 1.00 0.00 O ATOM 719 CB ILE A 47 6.993 10.512 1.060 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.659 9.333 0.347 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.861 10.232 2.549 1.00 0.00 C ATOM 722 CD1 ILE A 47 9.031 8.997 0.888 1.00 0.00 C ATOM 0 H ILE A 47 4.652 8.991 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 47 5.195 11.693 0.907 1.00 0.00 H new ATOM 0 HB ILE A 47 7.622 11.393 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.018 8.456 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.742 9.561 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.846 10.032 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.424 11.099 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.218 9.365 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.443 8.152 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.688 9.859 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.952 8.737 1.944 1.00 0.00 H new ATOM 734 N SER A 48 6.476 12.105 -1.406 1.00 0.00 N ATOM 735 CA SER A 48 6.702 12.444 -2.806 1.00 0.00 C ATOM 736 C SER A 48 7.782 11.553 -3.413 1.00 0.00 C ATOM 737 O SER A 48 8.734 11.163 -2.736 1.00 0.00 O ATOM 738 CB SER A 48 7.105 13.914 -2.939 1.00 0.00 C ATOM 739 OG SER A 48 5.978 14.764 -2.812 1.00 0.00 O ATOM 0 H SER A 48 6.899 12.753 -0.741 1.00 0.00 H new ATOM 0 HA SER A 48 5.771 12.279 -3.348 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.841 14.163 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.581 14.078 -3.906 1.00 0.00 H new ATOM 0 HG SER A 48 6.261 15.698 -2.899 1.00 0.00 H new ATOM 745 N VAL A 49 7.627 11.234 -4.694 1.00 0.00 N ATOM 746 CA VAL A 49 8.589 10.390 -5.394 1.00 0.00 C ATOM 747 C VAL A 49 10.004 10.940 -5.258 1.00 0.00 C ATOM 748 O VAL A 49 10.950 10.194 -5.003 1.00 0.00 O ATOM 749 CB VAL A 49 8.241 10.264 -6.889 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.231 9.348 -7.592 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.817 9.757 -7.063 1.00 0.00 C ATOM 0 H VAL A 49 6.844 11.547 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 49 8.540 9.404 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 49 8.309 11.252 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.969 9.271 -8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.237 9.757 -7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.197 8.358 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.588 9.674 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.719 8.778 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.123 10.455 -6.595 1.00 0.00 H new ATOM 761 N LEU A 50 10.142 12.250 -5.428 1.00 0.00 N ATOM 762 CA LEU A 50 11.443 12.902 -5.323 1.00 0.00 C ATOM 763 C LEU A 50 12.024 12.737 -3.923 1.00 0.00 C ATOM 764 O LEU A 50 13.239 12.641 -3.751 1.00 0.00 O ATOM 765 CB LEU A 50 11.320 14.388 -5.665 1.00 0.00 C ATOM 766 CG LEU A 50 11.638 14.773 -7.110 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.774 13.979 -8.077 1.00 0.00 C ATOM 768 CD2 LEU A 50 11.441 16.268 -7.319 1.00 0.00 C ATOM 0 H LEU A 50 9.369 12.882 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 50 12.118 12.426 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.303 14.709 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.984 14.948 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 50 12.683 14.533 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.015 14.267 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.965 12.914 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.722 14.186 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.672 16.524 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.406 16.532 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.104 16.819 -6.652 1.00 0.00 H new ATOM 780 N SER A 51 11.147 12.703 -2.924 1.00 0.00 N ATOM 781 CA SER A 51 11.573 12.551 -1.538 1.00 0.00 C ATOM 782 C SER A 51 12.044 11.126 -1.267 1.00 0.00 C ATOM 783 O SER A 51 13.081 10.912 -0.640 1.00 0.00 O ATOM 784 CB SER A 51 10.429 12.911 -0.588 1.00 0.00 C ATOM 785 OG SER A 51 10.463 14.286 -0.247 1.00 0.00 O ATOM 0 H SER A 51 10.138 12.779 -3.049 1.00 0.00 H new ATOM 0 HA SER A 51 12.408 13.230 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.474 12.673 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.499 12.307 0.317 1.00 0.00 H new ATOM 0 HG SER A 51 9.721 14.491 0.359 1.00 0.00 H new ATOM 791 N TRP A 52 11.274 10.155 -1.746 1.00 0.00 N ATOM 792 CA TRP A 52 11.612 8.748 -1.556 1.00 0.00 C ATOM 793 C TRP A 52 12.980 8.432 -2.149 1.00 0.00 C ATOM 794 O TRP A 52 13.765 7.688 -1.561 1.00 0.00 O ATOM 795 CB TRP A 52 10.547 7.856 -2.195 1.00 0.00 C ATOM 796 CG TRP A 52 10.909 6.402 -2.191 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.924 5.564 -1.113 1.00 0.00 C ATOM 798 CD2 TRP A 52 11.312 5.616 -3.319 1.00 0.00 C ATOM 799 NE1 TRP A 52 11.311 4.304 -1.503 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.554 4.310 -2.851 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.489 5.888 -4.678 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.965 3.282 -3.694 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.898 4.867 -5.514 1.00 0.00 C ATOM 804 CH2 TRP A 52 12.131 3.576 -5.020 1.00 0.00 C ATOM 0 H TRP A 52 10.413 10.315 -2.268 1.00 0.00 H new ATOM 0 HA TRP A 52 11.647 8.550 -0.485 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.605 7.990 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.382 8.179 -3.223 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.669 5.849 -0.103 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.402 3.495 -0.888 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.309 6.879 -5.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.147 2.287 -3.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.041 5.067 -6.566 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.448 2.798 -5.699 1.00 0.00 H new ATOM 815 N ARG A 53 13.261 9.002 -3.316 1.00 0.00 N ATOM 816 CA ARG A 53 14.535 8.780 -3.989 1.00 0.00 C ATOM 817 C ARG A 53 15.698 9.254 -3.121 1.00 0.00 C ATOM 818 O ARG A 53 16.688 8.544 -2.953 1.00 0.00 O ATOM 819 CB ARG A 53 14.559 9.506 -5.335 1.00 0.00 C ATOM 820 CG ARG A 53 15.827 9.261 -6.136 1.00 0.00 C ATOM 821 CD ARG A 53 16.089 10.387 -7.124 1.00 0.00 C ATOM 822 NE ARG A 53 17.426 10.307 -7.705 1.00 0.00 N ATOM 823 CZ ARG A 53 17.742 9.503 -8.714 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.821 8.715 -9.251 1.00 0.00 N ATOM 825 NH2 ARG A 53 18.981 9.486 -9.188 1.00 0.00 N ATOM 0 H ARG A 53 12.623 9.622 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 53 14.645 7.709 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.699 9.188 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.449 10.577 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.675 9.167 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.742 8.316 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.345 10.351 -7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.970 11.346 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 53 18.158 10.901 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.867 8.725 -8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.066 8.098 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.692 10.091 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.222 8.868 -9.963 1.00 0.00 H new ATOM 839 N GLU A 54 15.568 10.458 -2.574 1.00 0.00 N ATOM 840 CA GLU A 54 16.609 11.027 -1.726 1.00 0.00 C ATOM 841 C GLU A 54 16.758 10.225 -0.436 1.00 0.00 C ATOM 842 O GLU A 54 17.869 9.893 -0.024 1.00 0.00 O ATOM 843 CB GLU A 54 16.289 12.487 -1.398 1.00 0.00 C ATOM 844 CG GLU A 54 17.524 13.352 -1.206 1.00 0.00 C ATOM 845 CD GLU A 54 17.190 14.826 -1.084 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.912 15.461 -2.123 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.206 15.345 0.052 1.00 0.00 O ATOM 0 H GLU A 54 14.753 11.058 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 54 17.551 10.983 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.683 12.907 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.686 12.523 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.054 13.028 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.201 13.205 -2.048 1.00 0.00 H new ATOM 854 N ASP A 55 15.630 9.919 0.197 1.00 0.00 N ATOM 855 CA ASP A 55 15.634 9.156 1.440 1.00 0.00 C ATOM 856 C ASP A 55 16.360 7.827 1.259 1.00 0.00 C ATOM 857 O ASP A 55 17.066 7.369 2.157 1.00 0.00 O ATOM 858 CB ASP A 55 14.201 8.909 1.915 1.00 0.00 C ATOM 859 CG ASP A 55 14.106 8.779 3.423 1.00 0.00 C ATOM 860 OD1 ASP A 55 15.164 8.775 4.086 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.973 8.684 3.939 1.00 0.00 O ATOM 0 H ASP A 55 14.702 10.188 -0.130 1.00 0.00 H new ATOM 0 HA ASP A 55 16.163 9.738 2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.565 9.729 1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.818 8.000 1.450 1.00 0.00 H new ATOM 866 N GLN A 56 16.181 7.214 0.094 1.00 0.00 N ATOM 867 CA GLN A 56 16.818 5.936 -0.203 1.00 0.00 C ATOM 868 C GLN A 56 18.333 6.088 -0.278 1.00 0.00 C ATOM 869 O GLN A 56 19.077 5.219 0.176 1.00 0.00 O ATOM 870 CB GLN A 56 16.284 5.370 -1.520 1.00 0.00 C ATOM 871 CG GLN A 56 14.930 4.691 -1.386 1.00 0.00 C ATOM 872 CD GLN A 56 15.042 3.252 -0.924 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.504 2.879 0.119 1.00 0.00 O ATOM 874 NE2 GLN A 56 15.744 2.433 -1.700 1.00 0.00 N ATOM 0 H GLN A 56 15.600 7.581 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 56 16.580 5.243 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 56 16.206 6.178 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.003 4.653 -1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.316 5.249 -0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.416 4.721 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.173 2.784 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.854 1.453 -1.440 1.00 0.00 H new ATOM 883 N ARG A 57 18.784 7.198 -0.854 1.00 0.00 N ATOM 884 CA ARG A 57 20.211 7.463 -0.990 1.00 0.00 C ATOM 885 C ARG A 57 20.896 7.467 0.374 1.00 0.00 C ATOM 886 O ARG A 57 21.947 6.852 0.554 1.00 0.00 O ATOM 887 CB ARG A 57 20.438 8.803 -1.691 1.00 0.00 C ATOM 888 CG ARG A 57 19.915 8.841 -3.117 1.00 0.00 C ATOM 889 CD ARG A 57 19.673 10.268 -3.584 1.00 0.00 C ATOM 890 NE ARG A 57 20.699 10.719 -4.520 1.00 0.00 N ATOM 891 CZ ARG A 57 20.776 11.962 -4.984 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.891 12.871 -4.600 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.739 12.296 -5.832 1.00 0.00 N ATOM 0 H ARG A 57 18.181 7.928 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 57 20.647 6.667 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 57 19.954 9.591 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.506 9.023 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.631 8.356 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.986 8.274 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.695 10.333 -4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.652 10.933 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 57 21.395 10.043 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 57 19.149 12.617 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.952 13.825 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 57 22.422 11.599 -6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.797 13.250 -6.188 1.00 0.00 H new ATOM 907 N ILE A 58 20.293 8.166 1.330 1.00 0.00 N ATOM 908 CA ILE A 58 20.844 8.250 2.677 1.00 0.00 C ATOM 909 C ILE A 58 20.659 6.936 3.430 1.00 0.00 C ATOM 910 O ILE A 58 21.547 6.497 4.160 1.00 0.00 O ATOM 911 CB ILE A 58 20.189 9.387 3.483 1.00 0.00 C ATOM 912 CG1 ILE A 58 20.276 10.705 2.710 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.854 9.521 4.845 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.692 11.110 2.364 1.00 0.00 C ATOM 0 H ILE A 58 19.423 8.682 1.197 1.00 0.00 H new ATOM 0 HA ILE A 58 21.909 8.458 2.570 1.00 0.00 H new ATOM 0 HB ILE A 58 19.137 9.146 3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.697 10.617 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.815 11.495 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.380 10.329 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.746 8.587 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.913 9.744 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.677 12.053 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 58 22.270 11.231 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.150 10.339 1.745 1.00 0.00 H new ATOM 926 N SER A 59 19.499 6.314 3.246 1.00 0.00 N ATOM 927 CA SER A 59 19.195 5.051 3.909 1.00 0.00 C ATOM 928 C SER A 59 20.195 3.971 3.505 1.00 0.00 C ATOM 929 O SER A 59 20.639 3.180 4.337 1.00 0.00 O ATOM 930 CB SER A 59 17.774 4.599 3.567 1.00 0.00 C ATOM 931 OG SER A 59 17.384 3.495 4.365 1.00 0.00 O ATOM 0 H SER A 59 18.754 6.664 2.643 1.00 0.00 H new ATOM 0 HA SER A 59 19.269 5.207 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.080 5.425 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.719 4.327 2.513 1.00 0.00 H new ATOM 0 HG SER A 59 16.472 3.226 4.128 1.00 0.00 H new ATOM 937 N GLN A 60 20.544 3.946 2.223 1.00 0.00 N ATOM 938 CA GLN A 60 21.490 2.964 1.708 1.00 0.00 C ATOM 939 C GLN A 60 22.905 3.266 2.191 1.00 0.00 C ATOM 940 O GLN A 60 23.672 2.356 2.503 1.00 0.00 O ATOM 941 CB GLN A 60 21.454 2.942 0.179 1.00 0.00 C ATOM 942 CG GLN A 60 22.042 1.678 -0.426 1.00 0.00 C ATOM 943 CD GLN A 60 23.552 1.619 -0.302 1.00 0.00 C ATOM 944 OE1 GLN A 60 24.254 2.555 -0.687 1.00 0.00 O ATOM 945 NE2 GLN A 60 24.060 0.517 0.236 1.00 0.00 N ATOM 0 H GLN A 60 20.186 4.595 1.522 1.00 0.00 H new ATOM 0 HA GLN A 60 21.198 1.984 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.421 3.047 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.001 3.805 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.607 0.808 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.765 1.621 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.441 -0.234 0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 60 25.070 0.421 0.344 1.00 0.00 H new ATOM 954 N ALA A 61 23.244 4.550 2.249 1.00 0.00 N ATOM 955 CA ALA A 61 24.566 4.972 2.695 1.00 0.00 C ATOM 956 C ALA A 61 24.773 4.656 4.172 1.00 0.00 C ATOM 957 O ALA A 61 25.873 4.295 4.592 1.00 0.00 O ATOM 958 CB ALA A 61 24.759 6.459 2.439 1.00 0.00 C ATOM 0 H ALA A 61 22.621 5.316 1.993 1.00 0.00 H new ATOM 0 HA ALA A 61 25.310 4.417 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.750 6.761 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.662 6.660 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 61 24.003 7.023 2.984 1.00 0.00 H new ATOM 964 N LYS A 62 23.710 4.793 4.957 1.00 0.00 N ATOM 965 CA LYS A 62 23.775 4.522 6.388 1.00 0.00 C ATOM 966 C LYS A 62 23.904 3.025 6.653 1.00 0.00 C ATOM 967 O LYS A 62 24.547 2.609 7.618 1.00 0.00 O ATOM 968 CB LYS A 62 22.529 5.069 7.089 1.00 0.00 C ATOM 969 CG LYS A 62 22.402 6.580 7.013 1.00 0.00 C ATOM 970 CD LYS A 62 20.957 7.027 7.156 1.00 0.00 C ATOM 971 CE LYS A 62 20.849 8.324 7.943 1.00 0.00 C ATOM 972 NZ LYS A 62 21.357 8.173 9.334 1.00 0.00 N ATOM 0 H LYS A 62 22.792 5.090 4.626 1.00 0.00 H new ATOM 0 HA LYS A 62 24.658 5.021 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.643 4.616 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.549 4.767 8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.004 7.036 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.800 6.932 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.518 7.162 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.382 6.248 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.412 9.106 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.808 8.647 7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.577 8.319 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.747 7.217 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.102 8.877 9.510 1.00 0.00 H new ATOM 986 N LEU A 63 23.291 2.222 5.791 1.00 0.00 N ATOM 987 CA LEU A 63 23.340 0.770 5.931 1.00 0.00 C ATOM 988 C LEU A 63 24.750 0.246 5.681 1.00 0.00 C ATOM 989 O LEU A 63 25.289 -0.522 6.480 1.00 0.00 O ATOM 990 CB LEU A 63 22.359 0.112 4.959 1.00 0.00 C ATOM 991 CG LEU A 63 21.823 -1.260 5.373 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.569 -1.603 4.585 1.00 0.00 C ATOM 993 CD2 LEU A 63 22.888 -2.329 5.177 1.00 0.00 C ATOM 0 H LEU A 63 22.754 2.551 4.988 1.00 0.00 H new ATOM 0 HA LEU A 63 23.055 0.518 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.512 0.784 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.850 0.011 3.991 1.00 0.00 H new ATOM 0 HG LEU A 63 21.563 -1.224 6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.202 -2.582 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.803 -0.852 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.802 -1.621 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.490 -3.298 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 63 23.179 -2.365 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 23.759 -2.091 5.787 1.00 0.00 H new ATOM 1005 N LEU A 64 25.344 0.667 4.570 1.00 0.00 N ATOM 1006 CA LEU A 64 26.693 0.241 4.215 1.00 0.00 C ATOM 1007 C LEU A 64 27.722 0.848 5.164 1.00 0.00 C ATOM 1008 O LEU A 64 28.702 0.198 5.533 1.00 0.00 O ATOM 1009 CB LEU A 64 27.014 0.642 2.774 1.00 0.00 C ATOM 1010 CG LEU A 64 27.352 2.116 2.547 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.846 2.351 2.704 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.882 2.565 1.171 1.00 0.00 C ATOM 0 H LEU A 64 24.913 1.303 3.899 1.00 0.00 H new ATOM 0 HA LEU A 64 26.739 -0.845 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.855 0.040 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 64 26.160 0.385 2.148 1.00 0.00 H new ATOM 0 HG LEU A 64 26.830 2.708 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 64 29.068 3.405 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 64 29.155 2.068 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 64 29.388 1.748 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 64 27.131 3.616 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.375 1.967 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.803 2.434 1.094 1.00 0.00 H new ATOM 1024 N LEU A 65 27.493 2.095 5.558 1.00 0.00 N ATOM 1025 CA LEU A 65 28.399 2.789 6.467 1.00 0.00 C ATOM 1026 C LEU A 65 28.418 2.117 7.836 1.00 0.00 C ATOM 1027 O LEU A 65 29.421 2.165 8.548 1.00 0.00 O ATOM 1028 CB LEU A 65 27.983 4.254 6.612 1.00 0.00 C ATOM 1029 CG LEU A 65 28.464 5.201 5.511 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.839 6.577 5.681 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.982 5.297 5.517 1.00 0.00 C ATOM 0 H LEU A 65 26.688 2.647 5.263 1.00 0.00 H new ATOM 0 HA LEU A 65 29.403 2.742 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.895 4.299 6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.353 4.623 7.568 1.00 0.00 H new ATOM 0 HG LEU A 65 28.150 4.799 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.192 7.237 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.754 6.493 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.122 6.988 6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.307 5.975 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.319 5.676 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.410 4.309 5.346 1.00 0.00 H new ATOM 1043 N SER A 66 27.305 1.487 8.196 1.00 0.00 N ATOM 1044 CA SER A 66 27.193 0.805 9.480 1.00 0.00 C ATOM 1045 C SER A 66 28.058 -0.452 9.505 1.00 0.00 C ATOM 1046 O SER A 66 28.340 -1.006 10.568 1.00 0.00 O ATOM 1047 CB SER A 66 25.735 0.440 9.763 1.00 0.00 C ATOM 1048 OG SER A 66 25.077 1.478 10.470 1.00 0.00 O ATOM 0 H SER A 66 26.467 1.435 7.616 1.00 0.00 H new ATOM 0 HA SER A 66 27.547 1.484 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.216 0.250 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.694 -0.482 10.343 1.00 0.00 H new ATOM 0 HG SER A 66 24.706 2.124 9.833 1.00 0.00 H new ATOM 1054 N THR A 67 28.476 -0.898 8.324 1.00 0.00 N ATOM 1055 CA THR A 67 29.307 -2.090 8.208 1.00 0.00 C ATOM 1056 C THR A 67 30.617 -1.779 7.494 1.00 0.00 C ATOM 1057 O THR A 67 31.444 -2.665 7.275 1.00 0.00 O ATOM 1058 CB THR A 67 28.576 -3.213 7.449 1.00 0.00 C ATOM 1059 OG1 THR A 67 29.429 -4.356 7.324 1.00 0.00 O ATOM 1060 CG2 THR A 67 28.146 -2.741 6.068 1.00 0.00 C ATOM 0 H THR A 67 28.252 -0.451 7.435 1.00 0.00 H new ATOM 0 HA THR A 67 29.520 -2.427 9.223 1.00 0.00 H new ATOM 0 HB THR A 67 27.686 -3.485 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 67 30.365 -4.076 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 67 27.632 -3.551 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.473 -1.889 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 67 29.025 -2.444 5.495 1.00 0.00 H new ATOM 1068 N THR A 68 30.803 -0.513 7.133 1.00 0.00 N ATOM 1069 CA THR A 68 32.014 -0.085 6.443 1.00 0.00 C ATOM 1070 C THR A 68 32.582 1.185 7.067 1.00 0.00 C ATOM 1071 O THR A 68 31.885 1.901 7.786 1.00 0.00 O ATOM 1072 CB THR A 68 31.749 0.166 4.947 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.919 1.322 4.783 1.00 0.00 O ATOM 1074 CG2 THR A 68 31.079 -1.040 4.306 1.00 0.00 C ATOM 0 H THR A 68 30.130 0.234 7.307 1.00 0.00 H new ATOM 0 HA THR A 68 32.739 -0.893 6.545 1.00 0.00 H new ATOM 0 HB THR A 68 32.707 0.334 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.047 1.161 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.902 -0.839 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 68 31.726 -1.912 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 68 30.128 -1.235 4.803 1.00 0.00 H new ATOM 1082 N ARG A 69 33.852 1.459 6.787 1.00 0.00 N ATOM 1083 CA ARG A 69 34.514 2.643 7.321 1.00 0.00 C ATOM 1084 C ARG A 69 35.058 3.517 6.195 1.00 0.00 C ATOM 1085 O ARG A 69 35.922 4.365 6.416 1.00 0.00 O ATOM 1086 CB ARG A 69 35.651 2.237 8.261 1.00 0.00 C ATOM 1087 CG ARG A 69 36.630 1.252 7.642 1.00 0.00 C ATOM 1088 CD ARG A 69 36.192 -0.186 7.869 1.00 0.00 C ATOM 1089 NE ARG A 69 37.324 -1.109 7.876 1.00 0.00 N ATOM 1090 CZ ARG A 69 37.196 -2.430 7.831 1.00 0.00 C ATOM 1091 NH1 ARG A 69 35.991 -2.981 7.775 1.00 0.00 N ATOM 1092 NH2 ARG A 69 38.274 -3.203 7.841 1.00 0.00 N ATOM 0 H ARG A 69 34.443 0.877 6.193 1.00 0.00 H new ATOM 0 HA ARG A 69 33.777 3.219 7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.194 3.131 8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.226 1.796 9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.713 1.444 6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.621 1.404 8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.660 -0.257 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.491 -0.479 7.088 1.00 0.00 H new ATOM 0 HE ARG A 69 38.265 -0.717 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.160 -2.390 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 69 35.895 -3.996 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 69 39.202 -2.783 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 69 38.174 -4.218 7.806 1.00 0.00 H new ATOM 1106 N MET A 70 34.547 3.303 4.987 1.00 0.00 N ATOM 1107 CA MET A 70 34.981 4.071 3.827 1.00 0.00 C ATOM 1108 C MET A 70 34.635 5.548 3.992 1.00 0.00 C ATOM 1109 O MET A 70 33.734 5.918 4.744 1.00 0.00 O ATOM 1110 CB MET A 70 34.333 3.524 2.554 1.00 0.00 C ATOM 1111 CG MET A 70 34.947 2.220 2.071 1.00 0.00 C ATOM 1112 SD MET A 70 33.993 1.449 0.750 1.00 0.00 S ATOM 1113 CE MET A 70 32.531 0.931 1.646 1.00 0.00 C ATOM 0 H MET A 70 33.832 2.604 4.786 1.00 0.00 H new ATOM 0 HA MET A 70 36.064 3.976 3.745 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.269 3.370 2.735 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.417 4.270 1.764 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.961 2.409 1.719 1.00 0.00 H new ATOM 0 HG3 MET A 70 35.025 1.527 2.909 1.00 0.00 H new ATOM 0 HE1 MET A 70 31.653 1.057 1.013 1.00 0.00 H new ATOM 0 HE2 MET A 70 32.629 -0.118 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 70 32.421 1.538 2.545 1.00 0.00 H new ATOM 1123 N PRO A 71 35.368 6.412 3.275 1.00 0.00 N ATOM 1124 CA PRO A 71 35.157 7.862 3.325 1.00 0.00 C ATOM 1125 C PRO A 71 33.844 8.280 2.671 1.00 0.00 C ATOM 1126 O PRO A 71 33.322 7.579 1.804 1.00 0.00 O ATOM 1127 CB PRO A 71 36.347 8.422 2.542 1.00 0.00 C ATOM 1128 CG PRO A 71 36.746 7.320 1.622 1.00 0.00 C ATOM 1129 CD PRO A 71 36.459 6.041 2.358 1.00 0.00 C ATOM 0 HA PRO A 71 35.093 8.229 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.070 9.319 1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.165 8.698 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.184 7.368 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.802 7.392 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.158 5.245 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.335 5.684 2.899 1.00 0.00 H new ATOM 1137 N ILE A 72 33.317 9.425 3.092 1.00 0.00 N ATOM 1138 CA ILE A 72 32.066 9.936 2.545 1.00 0.00 C ATOM 1139 C ILE A 72 32.110 9.981 1.021 1.00 0.00 C ATOM 1140 O ILE A 72 31.087 9.823 0.355 1.00 0.00 O ATOM 1141 CB ILE A 72 31.752 11.345 3.080 1.00 0.00 C ATOM 1142 CG1 ILE A 72 31.667 11.327 4.607 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.454 11.863 2.478 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.784 12.698 5.235 1.00 0.00 C ATOM 0 H ILE A 72 33.737 10.016 3.810 1.00 0.00 H new ATOM 0 HA ILE A 72 31.280 9.252 2.863 1.00 0.00 H new ATOM 0 HB ILE A 72 32.559 12.017 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 72 30.719 10.880 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.458 10.688 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.245 12.860 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.549 11.908 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 72 29.637 11.192 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.715 12.609 6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 72 32.744 13.140 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 72 30.977 13.335 4.872 1.00 0.00 H new ATOM 1156 N ALA A 73 33.303 10.195 0.475 1.00 0.00 N ATOM 1157 CA ALA A 73 33.481 10.257 -0.970 1.00 0.00 C ATOM 1158 C ALA A 73 33.239 8.895 -1.612 1.00 0.00 C ATOM 1159 O ALA A 73 32.526 8.785 -2.610 1.00 0.00 O ATOM 1160 CB ALA A 73 34.876 10.761 -1.309 1.00 0.00 C ATOM 0 H ALA A 73 34.160 10.328 1.012 1.00 0.00 H new ATOM 0 HA ALA A 73 32.746 10.955 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 73 34.995 10.802 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.014 11.758 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.620 10.084 -0.888 1.00 0.00 H new ATOM 1166 N THR A 74 33.837 7.858 -1.034 1.00 0.00 N ATOM 1167 CA THR A 74 33.688 6.504 -1.550 1.00 0.00 C ATOM 1168 C THR A 74 32.253 6.013 -1.400 1.00 0.00 C ATOM 1169 O THR A 74 31.712 5.361 -2.293 1.00 0.00 O ATOM 1170 CB THR A 74 34.633 5.521 -0.832 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.995 5.907 -1.045 1.00 0.00 O ATOM 1172 CG2 THR A 74 34.418 4.101 -1.333 1.00 0.00 C ATOM 0 H THR A 74 34.430 7.931 -0.207 1.00 0.00 H new ATOM 0 HA THR A 74 33.948 6.539 -2.608 1.00 0.00 H new ATOM 0 HB THR A 74 34.411 5.550 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.589 5.278 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 74 35.096 3.425 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 74 33.388 3.800 -1.142 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.616 4.059 -2.404 1.00 0.00 H new ATOM 1180 N VAL A 75 31.640 6.331 -0.264 1.00 0.00 N ATOM 1181 CA VAL A 75 30.265 5.923 0.002 1.00 0.00 C ATOM 1182 C VAL A 75 29.290 6.640 -0.924 1.00 0.00 C ATOM 1183 O VAL A 75 28.367 6.031 -1.462 1.00 0.00 O ATOM 1184 CB VAL A 75 29.870 6.205 1.464 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.407 5.859 1.698 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.768 5.432 2.417 1.00 0.00 C ATOM 0 H VAL A 75 32.073 6.869 0.486 1.00 0.00 H new ATOM 0 HA VAL A 75 30.212 4.850 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 75 30.003 7.269 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.146 6.065 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.781 6.462 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.245 4.802 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.475 5.643 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.670 4.364 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.804 5.734 2.266 1.00 0.00 H new ATOM 1196 N GLY A 76 29.502 7.940 -1.106 1.00 0.00 N ATOM 1197 CA GLY A 76 28.633 8.720 -1.968 1.00 0.00 C ATOM 1198 C GLY A 76 28.560 8.161 -3.375 1.00 0.00 C ATOM 1199 O GLY A 76 27.480 8.078 -3.962 1.00 0.00 O ATOM 0 H GLY A 76 30.260 8.467 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.631 8.749 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.993 9.748 -2.007 1.00 0.00 H new ATOM 1203 N ARG A 77 29.710 7.777 -3.919 1.00 0.00 N ATOM 1204 CA ARG A 77 29.771 7.225 -5.267 1.00 0.00 C ATOM 1205 C ARG A 77 28.881 5.993 -5.391 1.00 0.00 C ATOM 1206 O ARG A 77 28.282 5.751 -6.438 1.00 0.00 O ATOM 1207 CB ARG A 77 31.213 6.864 -5.628 1.00 0.00 C ATOM 1208 CG ARG A 77 32.056 8.060 -6.041 1.00 0.00 C ATOM 1209 CD ARG A 77 33.538 7.799 -5.824 1.00 0.00 C ATOM 1210 NE ARG A 77 34.273 9.027 -5.534 1.00 0.00 N ATOM 1211 CZ ARG A 77 34.627 9.909 -6.462 1.00 0.00 C ATOM 1212 NH1 ARG A 77 34.314 9.699 -7.734 1.00 0.00 N ATOM 1213 NH2 ARG A 77 35.294 11.003 -6.120 1.00 0.00 N ATOM 0 H ARG A 77 30.612 7.838 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 77 29.409 7.984 -5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.682 6.378 -4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 77 31.204 6.138 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.876 8.288 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.752 8.936 -5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.666 7.097 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 77 33.957 7.327 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 77 34.529 9.218 -4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 77 33.801 8.859 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 77 34.587 10.378 -8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 77 35.536 11.168 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 77 35.565 11.679 -6.834 1.00 0.00 H new ATOM 1227 N ASN A 78 28.800 5.217 -4.315 1.00 0.00 N ATOM 1228 CA ASN A 78 27.983 4.008 -4.304 1.00 0.00 C ATOM 1229 C ASN A 78 26.498 4.355 -4.348 1.00 0.00 C ATOM 1230 O ASN A 78 25.658 3.500 -4.631 1.00 0.00 O ATOM 1231 CB ASN A 78 28.287 3.174 -3.058 1.00 0.00 C ATOM 1232 CG ASN A 78 29.774 3.072 -2.779 1.00 0.00 C ATOM 1233 OD1 ASN A 78 30.598 3.220 -3.681 1.00 0.00 O ATOM 1234 ND2 ASN A 78 30.124 2.818 -1.523 1.00 0.00 N ATOM 0 H ASN A 78 29.290 5.403 -3.440 1.00 0.00 H new ATOM 0 HA ASN A 78 28.228 3.425 -5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.788 3.618 -2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 78 27.874 2.173 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 78 31.110 2.738 -1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.407 2.703 -0.807 1.00 0.00 H new ATOM 1241 N VAL A 79 26.181 5.615 -4.068 1.00 0.00 N ATOM 1242 CA VAL A 79 24.798 6.076 -4.077 1.00 0.00 C ATOM 1243 C VAL A 79 24.527 6.976 -5.277 1.00 0.00 C ATOM 1244 O VAL A 79 23.404 7.438 -5.479 1.00 0.00 O ATOM 1245 CB VAL A 79 24.453 6.842 -2.786 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.130 6.356 -2.214 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.571 6.695 -1.765 1.00 0.00 C ATOM 0 H VAL A 79 26.864 6.335 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 79 24.169 5.188 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 79 24.350 7.900 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 79 22.903 6.909 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.337 6.518 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 79 23.201 5.293 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.311 7.242 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.708 5.641 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 79 26.496 7.097 -2.178 1.00 0.00 H new ATOM 1257 N GLY A 80 25.564 7.221 -6.073 1.00 0.00 N ATOM 1258 CA GLY A 80 25.416 8.065 -7.244 1.00 0.00 C ATOM 1259 C GLY A 80 25.773 9.511 -6.965 1.00 0.00 C ATOM 1260 O GLY A 80 25.255 10.422 -7.611 1.00 0.00 O ATOM 0 H GLY A 80 26.503 6.850 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.051 7.685 -8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.387 8.010 -7.600 1.00 0.00 H new ATOM 1264 N PHE A 81 26.660 9.725 -5.998 1.00 0.00 N ATOM 1265 CA PHE A 81 27.083 11.071 -5.632 1.00 0.00 C ATOM 1266 C PHE A 81 28.493 11.355 -6.144 1.00 0.00 C ATOM 1267 O PHE A 81 29.454 10.699 -5.743 1.00 0.00 O ATOM 1268 CB PHE A 81 27.034 11.250 -4.114 1.00 0.00 C ATOM 1269 CG PHE A 81 25.640 11.394 -3.572 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.721 10.366 -3.705 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.250 12.558 -2.930 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.438 10.495 -3.208 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.968 12.693 -2.430 1.00 0.00 C ATOM 1274 CZ PHE A 81 23.061 11.661 -2.570 1.00 0.00 C ATOM 0 H PHE A 81 27.100 8.983 -5.454 1.00 0.00 H new ATOM 0 HA PHE A 81 26.396 11.779 -6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 81 27.513 10.394 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.614 12.131 -3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 81 25.011 9.453 -4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.955 13.369 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.731 9.686 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 81 23.676 13.605 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 81 22.059 11.765 -2.181 1.00 0.00 H new ATOM 1284 N ASP A 82 28.607 12.338 -7.031 1.00 0.00 N ATOM 1285 CA ASP A 82 29.898 12.710 -7.597 1.00 0.00 C ATOM 1286 C ASP A 82 30.688 13.580 -6.624 1.00 0.00 C ATOM 1287 O ASP A 82 31.918 13.537 -6.595 1.00 0.00 O ATOM 1288 CB ASP A 82 29.703 13.452 -8.921 1.00 0.00 C ATOM 1289 CG ASP A 82 29.473 12.508 -10.085 1.00 0.00 C ATOM 1290 OD1 ASP A 82 30.375 11.695 -10.377 1.00 0.00 O ATOM 1291 OD2 ASP A 82 28.391 12.582 -10.702 1.00 0.00 O ATOM 0 H ASP A 82 27.821 12.891 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 82 30.463 11.796 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.854 14.129 -8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.581 14.066 -9.123 1.00 0.00 H new ATOM 1296 N ASP A 83 29.973 14.369 -5.829 1.00 0.00 N ATOM 1297 CA ASP A 83 30.606 15.249 -4.854 1.00 0.00 C ATOM 1298 C ASP A 83 30.320 14.779 -3.431 1.00 0.00 C ATOM 1299 O ASP A 83 29.167 14.726 -3.006 1.00 0.00 O ATOM 1300 CB ASP A 83 30.116 16.686 -5.038 1.00 0.00 C ATOM 1301 CG ASP A 83 30.086 17.105 -6.495 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.162 17.123 -7.130 1.00 0.00 O ATOM 1303 OD2 ASP A 83 28.987 17.415 -7.000 1.00 0.00 O ATOM 0 H ASP A 83 28.954 14.417 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 83 31.683 15.217 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 83 29.116 16.783 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.765 17.362 -4.482 1.00 0.00 H new ATOM 1308 N GLN A 84 31.378 14.437 -2.703 1.00 0.00 N ATOM 1309 CA GLN A 84 31.239 13.970 -1.328 1.00 0.00 C ATOM 1310 C GLN A 84 30.646 15.059 -0.440 1.00 0.00 C ATOM 1311 O GLN A 84 29.922 14.771 0.513 1.00 0.00 O ATOM 1312 CB GLN A 84 32.597 13.529 -0.778 1.00 0.00 C ATOM 1313 CG GLN A 84 33.514 14.688 -0.421 1.00 0.00 C ATOM 1314 CD GLN A 84 34.960 14.261 -0.267 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.681 14.102 -1.253 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.393 14.073 0.974 1.00 0.00 N ATOM 0 H GLN A 84 32.340 14.474 -3.041 1.00 0.00 H new ATOM 0 HA GLN A 84 30.560 13.117 -1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.439 12.915 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.092 12.899 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 84 33.445 15.453 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.173 15.144 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.761 14.216 1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.358 13.785 1.140 1.00 0.00 H new ATOM 1325 N LEU A 85 30.959 16.310 -0.759 1.00 0.00 N ATOM 1326 CA LEU A 85 30.457 17.444 0.011 1.00 0.00 C ATOM 1327 C LEU A 85 28.943 17.569 -0.129 1.00 0.00 C ATOM 1328 O LEU A 85 28.247 17.898 0.832 1.00 0.00 O ATOM 1329 CB LEU A 85 31.132 18.737 -0.450 1.00 0.00 C ATOM 1330 CG LEU A 85 32.524 19.008 0.120 1.00 0.00 C ATOM 1331 CD1 LEU A 85 32.475 19.075 1.639 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.505 17.938 -0.336 1.00 0.00 C ATOM 0 H LEU A 85 31.557 16.565 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 85 30.693 17.272 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.204 18.718 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.485 19.574 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 85 32.868 19.972 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.475 19.269 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.805 19.878 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.110 18.127 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.491 18.147 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 85 33.165 16.962 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.563 17.937 -1.424 1.00 0.00 H new ATOM 1344 N TYR A 86 28.441 17.303 -1.329 1.00 0.00 N ATOM 1345 CA TYR A 86 27.010 17.386 -1.594 1.00 0.00 C ATOM 1346 C TYR A 86 26.231 16.440 -0.685 1.00 0.00 C ATOM 1347 O TYR A 86 25.247 16.832 -0.057 1.00 0.00 O ATOM 1348 CB TYR A 86 26.721 17.055 -3.060 1.00 0.00 C ATOM 1349 CG TYR A 86 25.267 16.745 -3.335 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.255 17.525 -2.790 1.00 0.00 C ATOM 1351 CD2 TYR A 86 24.906 15.671 -4.140 1.00 0.00 C ATOM 1352 CE1 TYR A 86 22.925 17.245 -3.039 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.579 15.384 -4.395 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.592 16.174 -3.842 1.00 0.00 C ATOM 1355 OH TYR A 86 21.269 15.891 -4.093 1.00 0.00 O ATOM 0 H TYR A 86 29.004 17.028 -2.134 1.00 0.00 H new ATOM 0 HA TYR A 86 26.687 18.407 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.028 17.896 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.329 16.200 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.512 18.364 -2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.676 15.050 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.150 17.861 -2.607 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.316 14.546 -5.024 1.00 0.00 H new ATOM 0 HH TYR A 86 21.185 15.477 -4.977 1.00 0.00 H new ATOM 1365 N PHE A 87 26.680 15.191 -0.619 1.00 0.00 N ATOM 1366 CA PHE A 87 26.027 14.187 0.213 1.00 0.00 C ATOM 1367 C PHE A 87 25.890 14.678 1.651 1.00 0.00 C ATOM 1368 O PHE A 87 24.908 14.377 2.330 1.00 0.00 O ATOM 1369 CB PHE A 87 26.817 12.876 0.183 1.00 0.00 C ATOM 1370 CG PHE A 87 26.327 11.858 1.173 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.193 11.106 0.909 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.000 11.653 2.366 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.740 10.169 1.819 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.552 10.717 3.279 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.421 9.974 3.005 1.00 0.00 C ATOM 0 H PHE A 87 27.493 14.850 -1.132 1.00 0.00 H new ATOM 0 HA PHE A 87 25.029 14.011 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.763 12.451 -0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.867 13.089 0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.658 11.254 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 87 27.885 12.231 2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.854 9.590 1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.086 10.567 4.206 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.069 9.242 3.717 1.00 0.00 H new ATOM 1385 N SER A 88 26.882 15.434 2.109 1.00 0.00 N ATOM 1386 CA SER A 88 26.876 15.964 3.468 1.00 0.00 C ATOM 1387 C SER A 88 25.747 16.973 3.652 1.00 0.00 C ATOM 1388 O SER A 88 25.117 17.030 4.709 1.00 0.00 O ATOM 1389 CB SER A 88 28.220 16.621 3.788 1.00 0.00 C ATOM 1390 OG SER A 88 28.190 18.009 3.502 1.00 0.00 O ATOM 0 H SER A 88 27.701 15.694 1.559 1.00 0.00 H new ATOM 0 HA SER A 88 26.713 15.133 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.462 16.468 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.009 16.144 3.207 1.00 0.00 H new ATOM 0 HG SER A 88 28.414 18.154 2.559 1.00 0.00 H new ATOM 1396 N ARG A 89 25.496 17.766 2.616 1.00 0.00 N ATOM 1397 CA ARG A 89 24.444 18.775 2.663 1.00 0.00 C ATOM 1398 C ARG A 89 23.075 18.124 2.842 1.00 0.00 C ATOM 1399 O ARG A 89 22.306 18.504 3.725 1.00 0.00 O ATOM 1400 CB ARG A 89 24.457 19.617 1.386 1.00 0.00 C ATOM 1401 CG ARG A 89 25.850 20.044 0.953 1.00 0.00 C ATOM 1402 CD ARG A 89 26.614 20.694 2.096 1.00 0.00 C ATOM 1403 NE ARG A 89 27.937 21.151 1.680 1.00 0.00 N ATOM 1404 CZ ARG A 89 28.714 21.930 2.425 1.00 0.00 C ATOM 1405 NH1 ARG A 89 28.301 22.336 3.618 1.00 0.00 N ATOM 1406 NH2 ARG A 89 29.905 22.305 1.977 1.00 0.00 N ATOM 0 H ARG A 89 26.006 17.730 1.734 1.00 0.00 H new ATOM 0 HA ARG A 89 24.635 19.423 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 89 23.994 19.047 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 89 23.845 20.506 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.402 19.176 0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 89 25.775 20.743 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 89 26.043 21.539 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.717 19.981 2.914 1.00 0.00 H new ATOM 0 HE ARG A 89 28.284 20.856 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.385 22.050 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 89 28.899 22.934 4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 89 30.225 21.995 1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 89 30.500 22.903 2.550 1.00 0.00 H new ATOM 1420 N VAL A 90 22.778 17.142 1.997 1.00 0.00 N ATOM 1421 CA VAL A 90 21.502 16.438 2.061 1.00 0.00 C ATOM 1422 C VAL A 90 21.424 15.555 3.302 1.00 0.00 C ATOM 1423 O VAL A 90 20.416 15.547 4.008 1.00 0.00 O ATOM 1424 CB VAL A 90 21.278 15.568 0.810 1.00 0.00 C ATOM 1425 CG1 VAL A 90 19.996 14.760 0.945 1.00 0.00 C ATOM 1426 CG2 VAL A 90 21.244 16.433 -0.441 1.00 0.00 C ATOM 0 H VAL A 90 23.403 16.816 1.260 1.00 0.00 H new ATOM 0 HA VAL A 90 20.722 17.198 2.110 1.00 0.00 H new ATOM 0 HB VAL A 90 22.111 14.871 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.854 14.151 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.065 14.112 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.150 15.437 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.085 15.802 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.431 17.155 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 90 22.191 16.962 -0.543 1.00 0.00 H new ATOM 1436 N PHE A 91 22.495 14.813 3.562 1.00 0.00 N ATOM 1437 CA PHE A 91 22.548 13.925 4.717 1.00 0.00 C ATOM 1438 C PHE A 91 22.414 14.715 6.016 1.00 0.00 C ATOM 1439 O PHE A 91 21.801 14.251 6.978 1.00 0.00 O ATOM 1440 CB PHE A 91 23.859 13.135 4.721 1.00 0.00 C ATOM 1441 CG PHE A 91 23.946 12.124 5.828 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.287 12.513 7.114 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.687 10.785 5.584 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.369 11.585 8.134 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.767 9.852 6.600 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.108 10.253 7.878 1.00 0.00 C ATOM 0 H PHE A 91 23.338 14.809 2.988 1.00 0.00 H new ATOM 0 HA PHE A 91 21.713 13.228 4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.969 12.625 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.693 13.831 4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.491 13.553 7.321 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.419 10.467 4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.637 11.901 9.131 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.563 8.811 6.396 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.170 9.526 8.675 1.00 0.00 H new ATOM 1456 N LYS A 92 22.992 15.911 6.037 1.00 0.00 N ATOM 1457 CA LYS A 92 22.937 16.767 7.216 1.00 0.00 C ATOM 1458 C LYS A 92 21.493 17.060 7.609 1.00 0.00 C ATOM 1459 O LYS A 92 21.117 16.931 8.774 1.00 0.00 O ATOM 1460 CB LYS A 92 23.682 18.078 6.954 1.00 0.00 C ATOM 1461 CG LYS A 92 23.544 19.091 8.078 1.00 0.00 C ATOM 1462 CD LYS A 92 24.696 20.081 8.080 1.00 0.00 C ATOM 1463 CE LYS A 92 24.389 21.291 8.950 1.00 0.00 C ATOM 1464 NZ LYS A 92 25.631 21.946 9.446 1.00 0.00 N ATOM 0 H LYS A 92 23.504 16.310 5.250 1.00 0.00 H new ATOM 0 HA LYS A 92 23.419 16.240 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 92 24.739 17.861 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.309 18.520 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.602 19.628 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.508 18.571 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 92 25.599 19.590 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 92 24.899 20.407 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.802 22.010 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.777 20.983 9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.380 22.766 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.179 21.268 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.203 22.263 8.637 1.00 0.00 H new ATOM 1478 N LYS A 93 20.686 17.454 6.630 1.00 0.00 N ATOM 1479 CA LYS A 93 19.282 17.763 6.872 1.00 0.00 C ATOM 1480 C LYS A 93 18.465 16.486 7.041 1.00 0.00 C ATOM 1481 O LYS A 93 17.410 16.492 7.677 1.00 0.00 O ATOM 1482 CB LYS A 93 18.715 18.595 5.719 1.00 0.00 C ATOM 1483 CG LYS A 93 18.069 17.761 4.627 1.00 0.00 C ATOM 1484 CD LYS A 93 18.096 18.478 3.288 1.00 0.00 C ATOM 1485 CE LYS A 93 17.461 17.637 2.192 1.00 0.00 C ATOM 1486 NZ LYS A 93 15.977 17.597 2.311 1.00 0.00 N ATOM 0 H LYS A 93 20.981 17.567 5.660 1.00 0.00 H new ATOM 0 HA LYS A 93 19.217 18.340 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.978 19.294 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.517 19.190 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.589 16.807 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.038 17.538 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.567 19.427 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.127 18.710 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.736 18.042 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.856 16.622 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.582 17.028 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.713 17.171 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.598 18.564 2.258 1.00 0.00 H new ATOM 1500 N CYS A 94 18.959 15.394 6.469 1.00 0.00 N ATOM 1501 CA CYS A 94 18.275 14.109 6.557 1.00 0.00 C ATOM 1502 C CYS A 94 18.022 13.726 8.012 1.00 0.00 C ATOM 1503 O CYS A 94 16.904 13.373 8.387 1.00 0.00 O ATOM 1504 CB CYS A 94 19.098 13.021 5.866 1.00 0.00 C ATOM 1505 SG CYS A 94 18.189 11.488 5.562 1.00 0.00 S ATOM 0 H CYS A 94 19.830 15.373 5.939 1.00 0.00 H new ATOM 0 HA CYS A 94 17.313 14.202 6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.466 13.407 4.915 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.972 12.797 6.478 1.00 0.00 H new ATOM 0 HG CYS A 94 17.237 11.367 6.439 1.00 0.00 H new ATOM 1511 N THR A 95 19.070 13.796 8.827 1.00 0.00 N ATOM 1512 CA THR A 95 18.962 13.454 10.240 1.00 0.00 C ATOM 1513 C THR A 95 19.126 14.689 11.118 1.00 0.00 C ATOM 1514 O THR A 95 18.905 14.637 12.327 1.00 0.00 O ATOM 1515 CB THR A 95 20.016 12.406 10.646 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.331 12.902 10.374 1.00 0.00 O ATOM 1517 CG2 THR A 95 19.796 11.100 9.898 1.00 0.00 C ATOM 0 H THR A 95 20.003 14.086 8.533 1.00 0.00 H new ATOM 0 HA THR A 95 17.967 13.035 10.389 1.00 0.00 H new ATOM 0 HB THR A 95 19.914 12.216 11.715 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.995 12.230 10.637 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.552 10.375 10.201 1.00 0.00 H new ATOM 0 HG22 THR A 95 18.805 10.710 10.131 1.00 0.00 H new ATOM 0 HG23 THR A 95 19.873 11.278 8.825 1.00 0.00 H new ATOM 1525 N GLY A 96 19.515 15.801 10.502 1.00 0.00 N ATOM 1526 CA GLY A 96 19.702 17.034 11.244 1.00 0.00 C ATOM 1527 C GLY A 96 21.146 17.256 11.646 1.00 0.00 C ATOM 1528 O GLY A 96 21.496 18.313 12.171 1.00 0.00 O ATOM 0 H GLY A 96 19.704 15.870 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.364 17.874 10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.078 17.015 12.138 1.00 0.00 H new ATOM 1532 N ALA A 97 21.987 16.257 11.401 1.00 0.00 N ATOM 1533 CA ALA A 97 23.402 16.348 11.741 1.00 0.00 C ATOM 1534 C ALA A 97 24.272 15.781 10.625 1.00 0.00 C ATOM 1535 O ALA A 97 23.827 14.942 9.843 1.00 0.00 O ATOM 1536 CB ALA A 97 23.678 15.622 13.049 1.00 0.00 C ATOM 0 H ALA A 97 21.713 15.375 10.968 1.00 0.00 H new ATOM 0 HA ALA A 97 23.654 17.401 11.863 1.00 0.00 H new ATOM 0 HB1 ALA A 97 24.738 15.698 13.291 1.00 0.00 H new ATOM 0 HB2 ALA A 97 23.090 16.075 13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.403 14.572 12.947 1.00 0.00 H new ATOM 1542 N SER A 98 25.516 16.246 10.556 1.00 0.00 N ATOM 1543 CA SER A 98 26.448 15.788 9.532 1.00 0.00 C ATOM 1544 C SER A 98 26.761 14.305 9.707 1.00 0.00 C ATOM 1545 O SER A 98 26.523 13.714 10.760 1.00 0.00 O ATOM 1546 CB SER A 98 27.741 16.604 9.588 1.00 0.00 C ATOM 1547 OG SER A 98 27.866 17.277 10.828 1.00 0.00 O ATOM 0 H SER A 98 25.901 16.939 11.197 1.00 0.00 H new ATOM 0 HA SER A 98 25.979 15.930 8.558 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.597 15.945 9.440 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.753 17.329 8.774 1.00 0.00 H new ATOM 0 HG SER A 98 28.701 17.790 10.839 1.00 0.00 H new ATOM 1553 N PRO A 99 27.307 13.688 8.649 1.00 0.00 N ATOM 1554 CA PRO A 99 27.666 12.267 8.659 1.00 0.00 C ATOM 1555 C PRO A 99 28.855 11.976 9.567 1.00 0.00 C ATOM 1556 O PRO A 99 28.972 10.883 10.122 1.00 0.00 O ATOM 1557 CB PRO A 99 28.025 11.981 7.199 1.00 0.00 C ATOM 1558 CG PRO A 99 28.447 13.299 6.647 1.00 0.00 C ATOM 1559 CD PRO A 99 27.618 14.331 7.361 1.00 0.00 C ATOM 0 HA PRO A 99 26.857 11.645 9.043 1.00 0.00 H new ATOM 0 HB2 PRO A 99 28.827 11.246 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.172 11.578 6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.511 13.469 6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.282 13.342 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.167 15.262 7.499 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.713 14.574 6.805 1.00 0.00 H new ATOM 1567 N SER A 100 29.736 12.960 9.715 1.00 0.00 N ATOM 1568 CA SER A 100 30.920 12.808 10.553 1.00 0.00 C ATOM 1569 C SER A 100 30.532 12.690 12.024 1.00 0.00 C ATOM 1570 O SER A 100 31.184 11.985 12.793 1.00 0.00 O ATOM 1571 CB SER A 100 31.866 13.994 10.357 1.00 0.00 C ATOM 1572 OG SER A 100 31.190 15.224 10.559 1.00 0.00 O ATOM 0 H SER A 100 29.652 13.872 9.265 1.00 0.00 H new ATOM 0 HA SER A 100 31.431 11.892 10.255 1.00 0.00 H new ATOM 0 HB2 SER A 100 32.701 13.916 11.053 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.285 13.967 9.351 1.00 0.00 H new ATOM 0 HG SER A 100 31.816 15.967 10.430 1.00 0.00 H new ATOM 1578 N GLU A 101 29.465 13.385 12.406 1.00 0.00 N ATOM 1579 CA GLU A 101 28.991 13.359 13.784 1.00 0.00 C ATOM 1580 C GLU A 101 28.339 12.018 14.110 1.00 0.00 C ATOM 1581 O GLU A 101 28.630 11.407 15.138 1.00 0.00 O ATOM 1582 CB GLU A 101 27.994 14.495 14.026 1.00 0.00 C ATOM 1583 CG GLU A 101 27.952 14.972 15.468 1.00 0.00 C ATOM 1584 CD GLU A 101 28.009 13.828 16.462 1.00 0.00 C ATOM 1585 OE1 GLU A 101 27.012 13.083 16.567 1.00 0.00 O ATOM 1586 OE2 GLU A 101 29.050 13.678 17.135 1.00 0.00 O ATOM 0 H GLU A 101 28.913 13.972 11.781 1.00 0.00 H new ATOM 0 HA GLU A 101 29.851 13.494 14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 101 28.251 15.336 13.382 1.00 0.00 H new ATOM 0 HB3 GLU A 101 26.998 14.162 13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.789 15.647 15.648 1.00 0.00 H new ATOM 0 HG3 GLU A 101 27.039 15.545 15.631 1.00 0.00 H new ATOM 1593 N PHE A 102 27.454 11.567 13.227 1.00 0.00 N ATOM 1594 CA PHE A 102 26.759 10.300 13.420 1.00 0.00 C ATOM 1595 C PHE A 102 27.747 9.137 13.451 1.00 0.00 C ATOM 1596 O PHE A 102 27.641 8.242 14.290 1.00 0.00 O ATOM 1597 CB PHE A 102 25.733 10.082 12.306 1.00 0.00 C ATOM 1598 CG PHE A 102 24.914 8.835 12.481 1.00 0.00 C ATOM 1599 CD1 PHE A 102 23.782 8.841 13.280 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.275 7.658 11.846 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.027 7.694 13.444 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.524 6.509 12.006 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.398 6.527 12.805 1.00 0.00 C ATOM 0 H PHE A 102 27.201 12.060 12.371 1.00 0.00 H new ATOM 0 HA PHE A 102 26.242 10.340 14.379 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.065 10.943 12.264 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.252 10.035 11.349 1.00 0.00 H new ATOM 0 HD1 PHE A 102 23.486 9.751 13.780 1.00 0.00 H new ATOM 0 HD2 PHE A 102 26.154 7.638 11.218 1.00 0.00 H new ATOM 0 HE1 PHE A 102 22.148 7.711 14.071 1.00 0.00 H new ATOM 0 HE2 PHE A 102 24.818 5.598 11.506 1.00 0.00 H new ATOM 0 HZ PHE A 102 22.809 5.631 12.930 1.00 0.00 H new ATOM 1613 N ARG A 103 28.705 9.158 12.531 1.00 0.00 N ATOM 1614 CA ARG A 103 29.711 8.105 12.452 1.00 0.00 C ATOM 1615 C ARG A 103 30.498 8.006 13.755 1.00 0.00 C ATOM 1616 O ARG A 103 30.927 6.923 14.152 1.00 0.00 O ATOM 1617 CB ARG A 103 30.665 8.369 11.285 1.00 0.00 C ATOM 1618 CG ARG A 103 31.662 7.246 11.048 1.00 0.00 C ATOM 1619 CD ARG A 103 31.080 6.164 10.153 1.00 0.00 C ATOM 1620 NE ARG A 103 31.944 4.988 10.083 1.00 0.00 N ATOM 1621 CZ ARG A 103 32.125 4.149 11.096 1.00 0.00 C ATOM 1622 NH1 ARG A 103 31.507 4.355 12.251 1.00 0.00 N ATOM 1623 NH2 ARG A 103 32.927 3.101 10.956 1.00 0.00 N ATOM 0 H ARG A 103 28.806 9.892 11.830 1.00 0.00 H new ATOM 0 HA ARG A 103 29.198 7.158 12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.081 8.523 10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.210 9.294 11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 103 32.565 7.650 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 103 31.955 6.811 12.003 1.00 0.00 H new ATOM 0 HD2 ARG A 103 30.099 5.872 10.529 1.00 0.00 H new ATOM 0 HD3 ARG A 103 30.931 6.564 9.150 1.00 0.00 H new ATOM 0 HE ARG A 103 32.435 4.801 9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 103 30.890 5.160 12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 103 31.648 3.709 13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 103 33.405 2.939 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 103 33.065 2.457 11.735 1.00 0.00 H new ATOM 1637 N ALA A 104 30.686 9.144 14.415 1.00 0.00 N ATOM 1638 CA ALA A 104 31.420 9.185 15.673 1.00 0.00 C ATOM 1639 C ALA A 104 30.685 8.413 16.764 1.00 0.00 C ATOM 1640 O ALA A 104 31.307 7.816 17.642 1.00 0.00 O ATOM 1641 CB ALA A 104 31.646 10.626 16.106 1.00 0.00 C ATOM 0 H ALA A 104 30.340 10.050 14.099 1.00 0.00 H new ATOM 0 HA ALA A 104 32.387 8.708 15.515 1.00 0.00 H new ATOM 0 HB1 ALA A 104 32.195 10.641 17.047 1.00 0.00 H new ATOM 0 HB2 ALA A 104 32.221 11.150 15.342 1.00 0.00 H new ATOM 0 HB3 ALA A 104 30.684 11.121 16.239 1.00 0.00 H new ATOM 1647 N GLY A 105 29.357 8.429 16.701 1.00 0.00 N ATOM 1648 CA GLY A 105 28.559 7.727 17.690 1.00 0.00 C ATOM 1649 C GLY A 105 28.232 8.592 18.891 1.00 0.00 C ATOM 1650 O GLY A 105 27.428 8.207 19.740 1.00 0.00 O ATOM 0 H GLY A 105 28.820 8.915 15.983 1.00 0.00 H new ATOM 0 HA2 GLY A 105 27.632 7.386 17.229 1.00 0.00 H new ATOM 0 HA3 GLY A 105 29.096 6.838 18.022 1.00 0.00 H new ATOM 1654 N CYS A 106 28.856 9.762 18.963 1.00 0.00 N ATOM 1655 CA CYS A 106 28.629 10.683 20.071 1.00 0.00 C ATOM 1656 C CYS A 106 27.269 11.362 19.943 1.00 0.00 C ATOM 1657 O CYS A 106 26.921 11.880 18.882 1.00 0.00 O ATOM 1658 CB CYS A 106 29.736 11.737 20.121 1.00 0.00 C ATOM 1659 SG CYS A 106 29.899 12.561 21.722 1.00 0.00 S ATOM 0 H CYS A 106 29.523 10.096 18.267 1.00 0.00 H new ATOM 0 HA CYS A 106 28.643 10.109 20.997 1.00 0.00 H new ATOM 0 HB2 CYS A 106 30.685 11.264 19.870 1.00 0.00 H new ATOM 0 HB3 CYS A 106 29.542 12.489 19.356 1.00 0.00 H new ATOM 0 HG CYS A 106 30.862 13.433 21.665 1.00 0.00 H new