USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 713 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 27 GLN : amide:sc= -0.138 K(o=0.25,f=-1.3) USER MOD Set 1.2: A 31 LYS NZ :NH3+ 163:sc= 0.388 (180deg=0) USER MOD Set 2.1: A 26 THR OG1 : rot 69:sc= 1.29 USER MOD Set 2.2: A 29 MET CE :methyl -110:sc= -1.59 (180deg=-5.14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0294 (180deg=-0.353) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= -0.198 (180deg=-0.275) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -151:sc= -6.75! (180deg=-12.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.776 F(o=-1.9!,f=-0.78) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 163:sc= -2.31 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.8) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0313 (180deg=-0.24) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -1.7! (180deg=-2.35!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 34:sc= 0.656 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -4.46 F(o=-5.4!,f=-4.5) USER MOD Single : A 56 CYS SG : rot -140:sc= -0.107 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.51! C(o=-5.7!,f=-1.5!) USER MOD Single : A 64 SER OG : rot 25:sc= 0.937 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -0.584 F(o=-1.7!,f=-0.58) USER MOD Single : A 70 THR OG1 : rot 50:sc= -2.64! USER MOD Single : A 71 LYS NZ :NH3+ -139:sc= 0.125 (180deg=-0.972) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -1.7 F(o=-3.2!,f=-1.7) USER MOD Single : A 75 TYR OH : rot 152:sc= -3.62! USER MOD Single : A 77 TYR OH : rot 0:sc= -1.45 USER MOD Single : A 80 GLN :FLIP amide:sc= -2.14 F(o=-4.5!,f=-2.1) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -0.972 (180deg=-1.37) USER MOD Single : A 88 SER OG : rot 180:sc= -0.383 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.299 20.181 6.049 1.00 0.00 N ATOM 2 CA MET A 1 1.671 20.174 6.618 1.00 0.00 C ATOM 3 C MET A 1 2.414 18.893 6.251 1.00 0.00 C ATOM 4 O MET A 1 2.069 17.808 6.719 1.00 0.00 O ATOM 5 CB MET A 1 1.568 20.306 8.139 1.00 0.00 C ATOM 6 CG MET A 1 0.874 21.580 8.591 1.00 0.00 C ATOM 7 SD MET A 1 1.720 23.070 8.027 1.00 0.00 S ATOM 8 CE MET A 1 0.663 24.341 8.713 1.00 0.00 C ATOM 0 H1 MET A 1 -0.089 21.145 6.091 1.00 0.00 H new ATOM 0 H2 MET A 1 0.332 19.863 5.059 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.308 19.540 6.598 1.00 0.00 H new ATOM 0 HA MET A 1 2.234 21.010 6.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.026 19.447 8.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.570 20.276 8.567 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.150 21.584 8.216 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.815 21.590 9.679 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.056 25.323 8.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.344 24.233 8.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.632 24.242 9.798 1.00 0.00 H new ATOM 20 N SER A 2 3.434 19.027 5.411 1.00 0.00 N ATOM 21 CA SER A 2 4.223 17.881 4.980 1.00 0.00 C ATOM 22 C SER A 2 5.395 17.639 5.924 1.00 0.00 C ATOM 23 O SER A 2 6.331 18.437 5.985 1.00 0.00 O ATOM 24 CB SER A 2 4.736 18.095 3.554 1.00 0.00 C ATOM 25 OG SER A 2 5.507 16.989 3.118 1.00 0.00 O ATOM 0 H SER A 2 3.733 19.918 5.015 1.00 0.00 H new ATOM 0 HA SER A 2 3.579 17.002 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.893 18.243 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.340 19.002 3.514 1.00 0.00 H new ATOM 0 HG SER A 2 5.822 17.150 2.204 1.00 0.00 H new ATOM 31 N ASP A 3 5.339 16.533 6.658 1.00 0.00 N ATOM 32 CA ASP A 3 6.397 16.186 7.600 1.00 0.00 C ATOM 33 C ASP A 3 6.331 14.710 7.973 1.00 0.00 C ATOM 34 O ASP A 3 6.699 14.322 9.083 1.00 0.00 O ATOM 35 CB ASP A 3 6.292 17.049 8.859 1.00 0.00 C ATOM 36 CG ASP A 3 4.968 16.868 9.574 1.00 0.00 C ATOM 37 OD1 ASP A 3 3.918 17.142 8.958 1.00 0.00 O ATOM 38 OD2 ASP A 3 4.981 16.451 10.753 1.00 0.00 O ATOM 0 H ASP A 3 4.572 15.861 6.619 1.00 0.00 H new ATOM 0 HA ASP A 3 7.355 16.377 7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.106 16.797 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.416 18.098 8.589 1.00 0.00 H new ATOM 43 N ARG A 4 5.861 13.891 7.040 1.00 0.00 N ATOM 44 CA ARG A 4 5.745 12.454 7.267 1.00 0.00 C ATOM 45 C ARG A 4 6.811 11.693 6.485 1.00 0.00 C ATOM 46 O ARG A 4 7.781 11.196 7.056 1.00 0.00 O ATOM 47 CB ARG A 4 4.353 11.960 6.865 1.00 0.00 C ATOM 48 CG ARG A 4 3.215 12.576 7.669 1.00 0.00 C ATOM 49 CD ARG A 4 3.231 12.120 9.122 1.00 0.00 C ATOM 50 NE ARG A 4 4.317 12.728 9.886 1.00 0.00 N ATOM 51 CZ ARG A 4 4.588 12.430 11.155 1.00 0.00 C ATOM 52 NH1 ARG A 4 3.865 11.521 11.798 1.00 0.00 N ATOM 53 NH2 ARG A 4 5.585 13.040 11.782 1.00 0.00 N ATOM 0 H ARG A 4 5.553 14.197 6.117 1.00 0.00 H new ATOM 0 HA ARG A 4 5.895 12.268 8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.194 12.176 5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.318 10.876 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.290 13.663 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.262 12.305 7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.278 12.370 9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.329 11.035 9.158 1.00 0.00 H new ATOM 0 HE ARG A 4 4.902 13.422 9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.098 11.048 11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.076 11.296 12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.145 13.738 11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.792 12.811 12.754 1.00 0.00 H new ATOM 67 N LYS A 5 6.620 11.609 5.174 1.00 0.00 N ATOM 68 CA LYS A 5 7.562 10.909 4.307 1.00 0.00 C ATOM 69 C LYS A 5 7.716 9.452 4.738 1.00 0.00 C ATOM 70 O LYS A 5 8.559 9.127 5.574 1.00 0.00 O ATOM 71 CB LYS A 5 8.923 11.605 4.325 1.00 0.00 C ATOM 72 CG LYS A 5 8.875 13.049 3.853 1.00 0.00 C ATOM 73 CD LYS A 5 10.251 13.694 3.893 1.00 0.00 C ATOM 74 CE LYS A 5 10.202 15.141 3.429 1.00 0.00 C ATOM 75 NZ LYS A 5 11.543 15.786 3.470 1.00 0.00 N ATOM 0 H LYS A 5 5.822 12.017 4.687 1.00 0.00 H new ATOM 0 HA LYS A 5 7.167 10.931 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.323 11.576 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.615 11.048 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.483 13.088 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.188 13.616 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.645 13.650 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.937 13.131 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.811 15.183 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.511 15.701 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.464 16.771 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.906 15.770 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.196 15.268 2.848 1.00 0.00 H new ATOM 89 N ALA A 6 6.898 8.579 4.158 1.00 0.00 N ATOM 90 CA ALA A 6 6.942 7.158 4.482 1.00 0.00 C ATOM 91 C ALA A 6 6.605 6.921 5.950 1.00 0.00 C ATOM 92 O ALA A 6 7.457 7.068 6.824 1.00 0.00 O ATOM 93 CB ALA A 6 8.312 6.583 4.153 1.00 0.00 C ATOM 0 H ALA A 6 6.197 8.831 3.461 1.00 0.00 H new ATOM 0 HA ALA A 6 6.192 6.648 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.330 5.522 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.515 6.712 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.074 7.104 4.733 1.00 0.00 H new ATOM 99 N VAL A 7 5.352 6.558 6.212 1.00 0.00 N ATOM 100 CA VAL A 7 4.904 6.307 7.576 1.00 0.00 C ATOM 101 C VAL A 7 3.900 5.157 7.622 1.00 0.00 C ATOM 102 O VAL A 7 3.025 5.048 6.762 1.00 0.00 O ATOM 103 CB VAL A 7 4.261 7.563 8.190 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.841 7.307 9.631 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.217 8.744 8.107 1.00 0.00 C ATOM 0 H VAL A 7 4.633 6.432 5.500 1.00 0.00 H new ATOM 0 HA VAL A 7 5.785 6.037 8.158 1.00 0.00 H new ATOM 0 HB VAL A 7 3.366 7.805 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.389 8.209 10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.117 6.493 9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.716 7.036 10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.747 9.624 8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.131 8.511 8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.459 8.944 7.063 1.00 0.00 H new ATOM 115 N ILE A 8 4.036 4.302 8.629 1.00 0.00 N ATOM 116 CA ILE A 8 3.151 3.155 8.789 1.00 0.00 C ATOM 117 C ILE A 8 2.131 3.395 9.900 1.00 0.00 C ATOM 118 O ILE A 8 2.476 3.877 10.978 1.00 0.00 O ATOM 119 CB ILE A 8 3.951 1.874 9.112 1.00 0.00 C ATOM 120 CG1 ILE A 8 5.029 1.630 8.052 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.024 0.671 9.214 1.00 0.00 C ATOM 122 CD1 ILE A 8 6.162 2.633 8.090 1.00 0.00 C ATOM 0 H ILE A 8 4.754 4.382 9.349 1.00 0.00 H new ATOM 0 HA ILE A 8 2.627 3.024 7.842 1.00 0.00 H new ATOM 0 HB ILE A 8 4.440 2.013 10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.438 0.629 8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.567 1.655 7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.608 -0.220 9.442 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.295 0.840 10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.504 0.531 8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.885 2.394 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.767 3.635 7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.651 2.593 9.063 1.00 0.00 H new ATOM 134 N LYS A 9 0.876 3.030 9.640 1.00 0.00 N ATOM 135 CA LYS A 9 -0.187 3.184 10.631 1.00 0.00 C ATOM 136 C LYS A 9 -0.371 1.894 11.425 1.00 0.00 C ATOM 137 O LYS A 9 -1.472 1.595 11.885 1.00 0.00 O ATOM 138 CB LYS A 9 -1.513 3.562 9.967 1.00 0.00 C ATOM 139 CG LYS A 9 -1.562 4.985 9.436 1.00 0.00 C ATOM 140 CD LYS A 9 -2.964 5.343 8.966 1.00 0.00 C ATOM 141 CE LYS A 9 -3.075 6.808 8.575 1.00 0.00 C ATOM 142 NZ LYS A 9 -2.210 7.143 7.412 1.00 0.00 N ATOM 0 H LYS A 9 0.572 2.627 8.754 1.00 0.00 H new ATOM 0 HA LYS A 9 0.109 3.987 11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.704 2.873 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.319 3.428 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.248 5.679 10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.859 5.093 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.231 4.719 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.679 5.124 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.112 7.041 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.797 7.432 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.392 8.123 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.211 7.043 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.422 6.498 6.624 1.00 0.00 H new ATOM 156 N ASN A 10 0.717 1.133 11.564 1.00 0.00 N ATOM 157 CA ASN A 10 0.712 -0.140 12.286 1.00 0.00 C ATOM 158 C ASN A 10 0.330 -1.277 11.350 1.00 0.00 C ATOM 159 O ASN A 10 -0.830 -1.414 10.959 1.00 0.00 O ATOM 160 CB ASN A 10 -0.236 -0.115 13.490 1.00 0.00 C ATOM 161 CG ASN A 10 -0.116 -1.372 14.329 1.00 0.00 C ATOM 162 OD1 ASN A 10 0.935 -1.648 14.907 1.00 0.00 O ATOM 163 ND2 ASN A 10 -1.191 -2.146 14.389 1.00 0.00 N ATOM 0 H ASN A 10 1.627 1.383 11.178 1.00 0.00 H new ATOM 0 HA ASN A 10 1.722 -0.302 12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.016 0.756 14.107 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.263 -0.008 13.141 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.168 -3.010 14.931 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.041 -1.877 13.894 1.00 0.00 H new ATOM 170 N ALA A 11 1.318 -2.085 10.990 1.00 0.00 N ATOM 171 CA ALA A 11 1.101 -3.211 10.096 1.00 0.00 C ATOM 172 C ALA A 11 1.625 -4.500 10.705 1.00 0.00 C ATOM 173 O ALA A 11 2.169 -4.499 11.810 1.00 0.00 O ATOM 174 CB ALA A 11 1.774 -2.954 8.758 1.00 0.00 C ATOM 0 H ALA A 11 2.282 -1.979 11.306 1.00 0.00 H new ATOM 0 HA ALA A 11 0.028 -3.320 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.605 -3.804 8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.355 -2.054 8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.845 -2.819 8.909 1.00 0.00 H new ATOM 180 N ASP A 12 1.463 -5.602 9.983 1.00 0.00 N ATOM 181 CA ASP A 12 1.928 -6.892 10.470 1.00 0.00 C ATOM 182 C ASP A 12 1.895 -7.963 9.378 1.00 0.00 C ATOM 183 O ASP A 12 1.911 -9.157 9.682 1.00 0.00 O ATOM 184 CB ASP A 12 1.076 -7.336 11.663 1.00 0.00 C ATOM 185 CG ASP A 12 1.569 -8.628 12.286 1.00 0.00 C ATOM 186 OD1 ASP A 12 2.732 -8.663 12.740 1.00 0.00 O ATOM 187 OD2 ASP A 12 0.791 -9.604 12.322 1.00 0.00 O ATOM 0 H ASP A 12 1.017 -5.628 9.066 1.00 0.00 H new ATOM 0 HA ASP A 12 2.966 -6.772 10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.078 -6.550 12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.043 -7.465 11.339 1.00 0.00 H new ATOM 192 N MET A 13 1.851 -7.554 8.108 1.00 0.00 N ATOM 193 CA MET A 13 1.819 -8.532 7.025 1.00 0.00 C ATOM 194 C MET A 13 3.217 -9.074 6.728 1.00 0.00 C ATOM 195 O MET A 13 3.738 -8.908 5.628 1.00 0.00 O ATOM 196 CB MET A 13 1.192 -7.949 5.755 1.00 0.00 C ATOM 197 CG MET A 13 1.043 -8.969 4.642 1.00 0.00 C ATOM 198 SD MET A 13 -0.040 -8.397 3.317 1.00 0.00 S ATOM 199 CE MET A 13 0.834 -6.939 2.752 1.00 0.00 C ATOM 0 H MET A 13 1.837 -6.578 7.812 1.00 0.00 H new ATOM 0 HA MET A 13 1.193 -9.359 7.359 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.212 -7.538 5.997 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.806 -7.121 5.401 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.026 -9.198 4.230 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.647 -9.897 5.055 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.120 -6.221 2.348 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.368 -6.488 3.588 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.546 -7.219 1.975 1.00 0.00 H new ATOM 209 N SER A 14 3.803 -9.745 7.722 1.00 0.00 N ATOM 210 CA SER A 14 5.131 -10.354 7.593 1.00 0.00 C ATOM 211 C SER A 14 6.268 -9.326 7.578 1.00 0.00 C ATOM 212 O SER A 14 7.432 -9.702 7.449 1.00 0.00 O ATOM 213 CB SER A 14 5.202 -11.217 6.330 1.00 0.00 C ATOM 214 OG SER A 14 4.205 -12.224 6.345 1.00 0.00 O ATOM 0 H SER A 14 3.373 -9.882 8.637 1.00 0.00 H new ATOM 0 HA SER A 14 5.270 -10.974 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.076 -10.588 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.187 -11.677 6.255 1.00 0.00 H new ATOM 0 HG SER A 14 4.270 -12.761 5.528 1.00 0.00 H new ATOM 220 N GLU A 15 5.943 -8.041 7.712 1.00 0.00 N ATOM 221 CA GLU A 15 6.962 -6.983 7.716 1.00 0.00 C ATOM 222 C GLU A 15 7.585 -6.790 6.333 1.00 0.00 C ATOM 223 O GLU A 15 7.651 -5.669 5.815 1.00 0.00 O ATOM 224 CB GLU A 15 8.056 -7.286 8.745 1.00 0.00 C ATOM 225 CG GLU A 15 7.531 -7.443 10.163 1.00 0.00 C ATOM 226 CD GLU A 15 8.633 -7.733 11.164 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.547 -6.893 11.299 1.00 0.00 O ATOM 228 OE2 GLU A 15 8.582 -8.799 11.812 1.00 0.00 O ATOM 0 H GLU A 15 4.986 -7.704 7.819 1.00 0.00 H new ATOM 0 HA GLU A 15 6.461 -6.055 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.573 -8.201 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.793 -6.483 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.009 -6.532 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.800 -8.251 10.189 1.00 0.00 H new ATOM 235 N ASP A 16 8.040 -7.884 5.734 1.00 0.00 N ATOM 236 CA ASP A 16 8.649 -7.832 4.411 1.00 0.00 C ATOM 237 C ASP A 16 7.776 -7.026 3.458 1.00 0.00 C ATOM 238 O ASP A 16 8.272 -6.397 2.525 1.00 0.00 O ATOM 239 CB ASP A 16 8.856 -9.248 3.864 1.00 0.00 C ATOM 240 CG ASP A 16 9.765 -10.083 4.746 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.236 -9.562 5.778 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.006 -11.260 4.403 1.00 0.00 O ATOM 0 H ASP A 16 7.999 -8.817 6.143 1.00 0.00 H new ATOM 0 HA ASP A 16 9.620 -7.343 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.889 -9.743 3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.281 -9.189 2.862 1.00 0.00 H new ATOM 247 N MET A 17 6.470 -7.039 3.710 1.00 0.00 N ATOM 248 CA MET A 17 5.527 -6.301 2.883 1.00 0.00 C ATOM 249 C MET A 17 5.643 -4.809 3.141 1.00 0.00 C ATOM 250 O MET A 17 5.432 -4.002 2.241 1.00 0.00 O ATOM 251 CB MET A 17 4.096 -6.793 3.118 1.00 0.00 C ATOM 252 CG MET A 17 3.806 -8.142 2.470 1.00 0.00 C ATOM 253 SD MET A 17 4.895 -9.456 3.055 1.00 0.00 S ATOM 254 CE MET A 17 4.284 -10.848 2.108 1.00 0.00 C ATOM 0 H MET A 17 6.043 -7.553 4.481 1.00 0.00 H new ATOM 0 HA MET A 17 5.774 -6.482 1.837 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.917 -6.867 4.191 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.397 -6.053 2.728 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.771 -8.420 2.670 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.907 -8.048 1.389 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.859 -11.739 2.359 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.233 -11.015 2.344 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.388 -10.638 1.044 1.00 0.00 H new ATOM 264 N GLN A 18 6.023 -4.434 4.356 1.00 0.00 N ATOM 265 CA GLN A 18 6.212 -3.029 4.666 1.00 0.00 C ATOM 266 C GLN A 18 7.375 -2.514 3.837 1.00 0.00 C ATOM 267 O GLN A 18 7.350 -1.398 3.322 1.00 0.00 O ATOM 268 CB GLN A 18 6.484 -2.841 6.156 1.00 0.00 C ATOM 269 CG GLN A 18 5.289 -3.179 7.029 1.00 0.00 C ATOM 270 CD GLN A 18 5.645 -3.254 8.495 1.00 0.00 C ATOM 271 OE1 GLN A 18 5.366 -4.398 9.103 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 6.156 -2.297 9.076 1.00 0.00 N flip ATOM 0 H GLN A 18 6.203 -5.074 5.130 1.00 0.00 H new ATOM 0 HA GLN A 18 5.309 -2.468 4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.327 -3.468 6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.778 -1.807 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.514 -2.426 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.870 -4.134 6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.352 -1.436 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.383 -2.365 10.068 1.00 0.00 H new ATOM 281 N GLN A 19 8.386 -3.364 3.696 1.00 0.00 N ATOM 282 CA GLN A 19 9.565 -3.023 2.914 1.00 0.00 C ATOM 283 C GLN A 19 9.267 -3.051 1.415 1.00 0.00 C ATOM 284 O GLN A 19 9.669 -2.152 0.677 1.00 0.00 O ATOM 285 CB GLN A 19 10.712 -3.981 3.237 1.00 0.00 C ATOM 286 CG GLN A 19 11.121 -3.965 4.701 1.00 0.00 C ATOM 287 CD GLN A 19 12.257 -4.923 5.000 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.347 -4.805 4.439 1.00 0.00 O ATOM 289 NE2 GLN A 19 12.007 -5.878 5.887 1.00 0.00 N ATOM 0 H GLN A 19 8.411 -4.294 4.114 1.00 0.00 H new ATOM 0 HA GLN A 19 9.859 -2.008 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.418 -4.994 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.575 -3.722 2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.420 -2.955 4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.260 -4.224 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.089 -5.938 6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.733 -6.552 6.129 1.00 0.00 H new ATOM 298 N ASP A 20 8.562 -4.086 0.972 1.00 0.00 N ATOM 299 CA ASP A 20 8.223 -4.222 -0.443 1.00 0.00 C ATOM 300 C ASP A 20 7.150 -3.220 -0.853 1.00 0.00 C ATOM 301 O ASP A 20 7.329 -2.456 -1.801 1.00 0.00 O ATOM 302 CB ASP A 20 7.753 -5.645 -0.748 1.00 0.00 C ATOM 303 CG ASP A 20 8.873 -6.661 -0.638 1.00 0.00 C ATOM 304 OD1 ASP A 20 9.483 -6.760 0.447 1.00 0.00 O ATOM 305 OD2 ASP A 20 9.140 -7.361 -1.638 1.00 0.00 O ATOM 0 H ASP A 20 8.215 -4.839 1.566 1.00 0.00 H new ATOM 0 HA ASP A 20 9.124 -4.014 -1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.952 -5.915 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.334 -5.678 -1.754 1.00 0.00 H new ATOM 310 N ALA A 21 6.037 -3.234 -0.134 1.00 0.00 N ATOM 311 CA ALA A 21 4.924 -2.335 -0.414 1.00 0.00 C ATOM 312 C ALA A 21 5.371 -0.877 -0.410 1.00 0.00 C ATOM 313 O ALA A 21 5.114 -0.139 -1.362 1.00 0.00 O ATOM 314 CB ALA A 21 3.808 -2.550 0.595 1.00 0.00 C ATOM 0 H ALA A 21 5.879 -3.863 0.654 1.00 0.00 H new ATOM 0 HA ALA A 21 4.550 -2.565 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.983 -1.873 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.457 -3.580 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.182 -2.351 1.599 1.00 0.00 H new ATOM 320 N VAL A 22 6.043 -0.461 0.662 1.00 0.00 N ATOM 321 CA VAL A 22 6.517 0.915 0.769 1.00 0.00 C ATOM 322 C VAL A 22 7.430 1.273 -0.402 1.00 0.00 C ATOM 323 O VAL A 22 7.229 2.293 -1.062 1.00 0.00 O ATOM 324 CB VAL A 22 7.253 1.159 2.103 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.897 2.538 2.127 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.289 1.005 3.272 1.00 0.00 C ATOM 0 H VAL A 22 6.269 -1.052 1.462 1.00 0.00 H new ATOM 0 HA VAL A 22 5.639 1.560 0.740 1.00 0.00 H new ATOM 0 HB VAL A 22 8.044 0.415 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.409 2.684 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.616 2.618 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.128 3.301 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.821 1.180 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.480 1.729 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.876 -0.004 3.272 1.00 0.00 H new ATOM 336 N ASP A 23 8.425 0.433 -0.664 1.00 0.00 N ATOM 337 CA ASP A 23 9.348 0.682 -1.767 1.00 0.00 C ATOM 338 C ASP A 23 8.651 0.500 -3.105 1.00 0.00 C ATOM 339 O ASP A 23 9.054 1.092 -4.102 1.00 0.00 O ATOM 340 CB ASP A 23 10.568 -0.235 -1.673 1.00 0.00 C ATOM 341 CG ASP A 23 11.418 0.059 -0.452 1.00 0.00 C ATOM 342 OD1 ASP A 23 10.886 -0.018 0.676 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.616 0.365 -0.624 1.00 0.00 O ATOM 0 H ASP A 23 8.613 -0.418 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 23 9.688 1.715 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.237 -1.273 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.175 -0.121 -2.571 1.00 0.00 H new ATOM 348 N CYS A 24 7.588 -0.297 -3.123 1.00 0.00 N ATOM 349 CA CYS A 24 6.837 -0.511 -4.349 1.00 0.00 C ATOM 350 C CYS A 24 6.064 0.754 -4.675 1.00 0.00 C ATOM 351 O CYS A 24 5.967 1.161 -5.834 1.00 0.00 O ATOM 352 CB CYS A 24 5.888 -1.701 -4.205 1.00 0.00 C ATOM 353 SG CYS A 24 5.061 -2.171 -5.742 1.00 0.00 S ATOM 0 H CYS A 24 7.232 -0.800 -2.310 1.00 0.00 H new ATOM 0 HA CYS A 24 7.527 -0.738 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.449 -2.557 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.133 -1.462 -3.456 1.00 0.00 H new ATOM 0 HG CYS A 24 4.576 -3.371 -5.624 1.00 0.00 H new ATOM 359 N ALA A 25 5.552 1.395 -3.632 1.00 0.00 N ATOM 360 CA ALA A 25 4.826 2.640 -3.788 1.00 0.00 C ATOM 361 C ALA A 25 5.806 3.782 -4.025 1.00 0.00 C ATOM 362 O ALA A 25 5.450 4.812 -4.599 1.00 0.00 O ATOM 363 CB ALA A 25 3.967 2.915 -2.560 1.00 0.00 C ATOM 0 H ALA A 25 5.629 1.069 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 25 4.165 2.559 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.429 3.854 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.252 2.103 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.604 2.985 -1.679 1.00 0.00 H new ATOM 369 N THR A 26 7.055 3.586 -3.589 1.00 0.00 N ATOM 370 CA THR A 26 8.092 4.590 -3.764 1.00 0.00 C ATOM 371 C THR A 26 8.630 4.551 -5.187 1.00 0.00 C ATOM 372 O THR A 26 8.696 5.578 -5.862 1.00 0.00 O ATOM 373 CB THR A 26 9.229 4.360 -2.765 1.00 0.00 C ATOM 374 OG1 THR A 26 8.747 4.419 -1.435 1.00 0.00 O ATOM 375 CG2 THR A 26 10.351 5.369 -2.892 1.00 0.00 C ATOM 0 H THR A 26 7.365 2.739 -3.113 1.00 0.00 H new ATOM 0 HA THR A 26 7.658 5.573 -3.580 1.00 0.00 H new ATOM 0 HB THR A 26 9.623 3.371 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.175 3.643 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.124 5.149 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.778 5.314 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.960 6.372 -2.719 1.00 0.00 H new ATOM 383 N GLN A 27 9.005 3.358 -5.644 1.00 0.00 N ATOM 384 CA GLN A 27 9.526 3.199 -6.998 1.00 0.00 C ATOM 385 C GLN A 27 8.417 3.409 -8.021 1.00 0.00 C ATOM 386 O GLN A 27 8.681 3.754 -9.172 1.00 0.00 O ATOM 387 CB GLN A 27 10.157 1.816 -7.187 1.00 0.00 C ATOM 388 CG GLN A 27 9.163 0.667 -7.129 1.00 0.00 C ATOM 389 CD GLN A 27 9.818 -0.679 -7.375 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.357 -0.933 -8.453 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.785 -1.549 -6.372 1.00 0.00 N ATOM 0 H GLN A 27 8.958 2.495 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 27 10.299 3.952 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.670 1.791 -8.149 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.915 1.666 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.678 0.659 -6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.382 0.829 -7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.328 -1.299 -5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.217 -2.467 -6.479 1.00 0.00 H new ATOM 400 N ALA A 28 7.176 3.201 -7.595 1.00 0.00 N ATOM 401 CA ALA A 28 6.037 3.373 -8.479 1.00 0.00 C ATOM 402 C ALA A 28 5.713 4.852 -8.675 1.00 0.00 C ATOM 403 O ALA A 28 5.437 5.291 -9.790 1.00 0.00 O ATOM 404 CB ALA A 28 4.827 2.631 -7.934 1.00 0.00 C ATOM 0 H ALA A 28 6.937 2.914 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 28 6.296 2.953 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.981 2.770 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.057 1.569 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.574 3.022 -6.949 1.00 0.00 H new ATOM 410 N MET A 29 5.738 5.615 -7.585 1.00 0.00 N ATOM 411 CA MET A 29 5.433 7.040 -7.649 1.00 0.00 C ATOM 412 C MET A 29 6.563 7.831 -8.301 1.00 0.00 C ATOM 413 O MET A 29 6.328 8.881 -8.897 1.00 0.00 O ATOM 414 CB MET A 29 5.148 7.594 -6.251 1.00 0.00 C ATOM 415 CG MET A 29 6.342 7.534 -5.313 1.00 0.00 C ATOM 416 SD MET A 29 5.953 8.149 -3.663 1.00 0.00 S ATOM 417 CE MET A 29 7.524 7.918 -2.835 1.00 0.00 C ATOM 0 H MET A 29 5.965 5.272 -6.652 1.00 0.00 H new ATOM 0 HA MET A 29 4.542 7.153 -8.267 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.820 8.630 -6.341 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.323 7.035 -5.810 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.692 6.504 -5.241 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.160 8.120 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.435 7.114 -2.104 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.287 7.659 -3.569 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.807 8.840 -2.328 1.00 0.00 H new ATOM 427 N GLU A 30 7.789 7.326 -8.199 1.00 0.00 N ATOM 428 CA GLU A 30 8.929 8.005 -8.799 1.00 0.00 C ATOM 429 C GLU A 30 9.048 7.621 -10.266 1.00 0.00 C ATOM 430 O GLU A 30 9.265 8.472 -11.130 1.00 0.00 O ATOM 431 CB GLU A 30 10.225 7.667 -8.057 1.00 0.00 C ATOM 432 CG GLU A 30 10.634 6.210 -8.165 1.00 0.00 C ATOM 433 CD GLU A 30 11.935 5.920 -7.440 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.973 6.493 -7.834 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.917 5.128 -6.474 1.00 0.00 O ATOM 0 H GLU A 30 8.016 6.459 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 30 8.767 9.080 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.029 8.290 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.107 7.924 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.844 5.582 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.739 5.942 -9.216 1.00 0.00 H new ATOM 442 N LYS A 31 8.890 6.330 -10.545 1.00 0.00 N ATOM 443 CA LYS A 31 8.966 5.832 -11.910 1.00 0.00 C ATOM 444 C LYS A 31 7.709 6.203 -12.699 1.00 0.00 C ATOM 445 O LYS A 31 7.728 6.231 -13.928 1.00 0.00 O ATOM 446 CB LYS A 31 9.159 4.314 -11.917 1.00 0.00 C ATOM 447 CG LYS A 31 10.474 3.866 -11.298 1.00 0.00 C ATOM 448 CD LYS A 31 10.600 2.352 -11.294 1.00 0.00 C ATOM 449 CE LYS A 31 11.915 1.904 -10.674 1.00 0.00 C ATOM 450 NZ LYS A 31 12.047 0.421 -10.663 1.00 0.00 N ATOM 0 H LYS A 31 8.709 5.613 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 31 9.825 6.300 -12.390 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.335 3.849 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.109 3.954 -12.945 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.305 4.300 -11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.543 4.241 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.768 1.918 -10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.532 1.977 -12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.745 2.338 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.983 2.282 -9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.042 0.162 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.464 0.026 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.726 0.037 -11.575 1.00 0.00 H new ATOM 464 N TYR A 32 6.620 6.494 -11.987 1.00 0.00 N ATOM 465 CA TYR A 32 5.365 6.868 -12.636 1.00 0.00 C ATOM 466 C TYR A 32 4.785 8.131 -12.007 1.00 0.00 C ATOM 467 O TYR A 32 5.431 8.775 -11.179 1.00 0.00 O ATOM 468 CB TYR A 32 4.350 5.727 -12.545 1.00 0.00 C ATOM 469 CG TYR A 32 4.839 4.427 -13.147 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.942 3.767 -12.621 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.198 3.865 -14.242 1.00 0.00 C ATOM 472 CE1 TYR A 32 6.393 2.581 -13.171 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.640 2.679 -14.797 1.00 0.00 C ATOM 474 CZ TYR A 32 5.739 2.041 -14.258 1.00 0.00 C ATOM 475 OH TYR A 32 6.185 0.861 -14.807 1.00 0.00 O ATOM 0 H TYR A 32 6.582 6.478 -10.968 1.00 0.00 H new ATOM 0 HA TYR A 32 5.577 7.067 -13.686 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.098 5.560 -11.498 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.432 6.028 -13.050 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.456 4.187 -11.769 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.339 4.363 -14.668 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.253 2.080 -12.751 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.128 2.254 -15.648 1.00 0.00 H new ATOM 0 HH TYR A 32 5.614 0.616 -15.565 1.00 0.00 H new ATOM 485 N ASN A 33 3.565 8.484 -12.402 1.00 0.00 N ATOM 486 CA ASN A 33 2.906 9.672 -11.871 1.00 0.00 C ATOM 487 C ASN A 33 1.466 9.772 -12.370 1.00 0.00 C ATOM 488 O ASN A 33 0.959 10.866 -12.617 1.00 0.00 O ATOM 489 CB ASN A 33 3.683 10.931 -12.269 1.00 0.00 C ATOM 490 CG ASN A 33 3.784 11.095 -13.773 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.328 10.239 -14.468 1.00 0.00 O ATOM 492 ND2 ASN A 33 3.258 12.204 -14.283 1.00 0.00 N ATOM 0 H ASN A 33 3.014 7.965 -13.086 1.00 0.00 H new ATOM 0 HA ASN A 33 2.888 9.589 -10.784 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.194 11.807 -11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.685 10.886 -11.843 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.296 12.371 -15.288 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.816 12.888 -13.669 1.00 0.00 H new ATOM 499 N ILE A 34 0.814 8.623 -12.514 1.00 0.00 N ATOM 500 CA ILE A 34 -0.566 8.581 -12.983 1.00 0.00 C ATOM 501 C ILE A 34 -1.544 8.424 -11.819 1.00 0.00 C ATOM 502 O ILE A 34 -2.739 8.686 -11.961 1.00 0.00 O ATOM 503 CB ILE A 34 -0.780 7.422 -13.974 1.00 0.00 C ATOM 504 CG1 ILE A 34 0.261 7.488 -15.092 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.190 7.466 -14.550 1.00 0.00 C ATOM 506 CD1 ILE A 34 0.090 6.416 -16.147 1.00 0.00 C ATOM 0 H ILE A 34 1.219 7.709 -12.313 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.758 9.528 -13.487 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.659 6.479 -13.441 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.207 8.467 -15.569 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.256 7.400 -14.656 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.324 6.640 -15.248 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.916 7.379 -13.742 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.340 8.411 -15.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.864 6.526 -16.907 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.174 5.433 -15.684 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.891 6.516 -16.611 1.00 0.00 H new ATOM 518 N GLU A 35 -1.031 7.985 -10.672 1.00 0.00 N ATOM 519 CA GLU A 35 -1.854 7.783 -9.481 1.00 0.00 C ATOM 520 C GLU A 35 -2.840 6.631 -9.676 1.00 0.00 C ATOM 521 O GLU A 35 -3.748 6.436 -8.869 1.00 0.00 O ATOM 522 CB GLU A 35 -2.613 9.063 -9.118 1.00 0.00 C ATOM 523 CG GLU A 35 -1.709 10.240 -8.781 1.00 0.00 C ATOM 524 CD GLU A 35 -0.851 10.675 -9.950 1.00 0.00 C ATOM 525 OE1 GLU A 35 -1.419 11.056 -10.996 1.00 0.00 O ATOM 526 OE2 GLU A 35 0.391 10.638 -9.822 1.00 0.00 O ATOM 0 H GLU A 35 -0.044 7.761 -10.542 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.183 7.527 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.258 9.340 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.262 8.860 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.321 11.080 -8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.065 9.969 -7.944 1.00 0.00 H new ATOM 533 N LYS A 36 -2.644 5.858 -10.742 1.00 0.00 N ATOM 534 CA LYS A 36 -3.499 4.717 -11.031 1.00 0.00 C ATOM 535 C LYS A 36 -2.646 3.486 -11.274 1.00 0.00 C ATOM 536 O LYS A 36 -2.810 2.463 -10.606 1.00 0.00 O ATOM 537 CB LYS A 36 -4.388 4.999 -12.243 1.00 0.00 C ATOM 538 CG LYS A 36 -5.305 3.843 -12.606 1.00 0.00 C ATOM 539 CD LYS A 36 -6.241 3.494 -11.459 1.00 0.00 C ATOM 540 CE LYS A 36 -7.154 2.332 -11.817 1.00 0.00 C ATOM 541 NZ LYS A 36 -8.009 2.640 -12.997 1.00 0.00 N ATOM 0 H LYS A 36 -1.897 6.005 -11.420 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.146 4.538 -10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.993 5.883 -12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.756 5.234 -13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.890 4.104 -13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.706 2.970 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.656 3.239 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.843 4.365 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.551 1.448 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.787 2.091 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.761 1.926 -13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.435 3.581 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.428 2.627 -13.859 1.00 0.00 H new ATOM 555 N ASP A 37 -1.707 3.598 -12.207 1.00 0.00 N ATOM 556 CA ASP A 37 -0.800 2.497 -12.499 1.00 0.00 C ATOM 557 C ASP A 37 -0.035 2.126 -11.233 1.00 0.00 C ATOM 558 O ASP A 37 0.447 1.002 -11.087 1.00 0.00 O ATOM 559 CB ASP A 37 0.174 2.883 -13.614 1.00 0.00 C ATOM 560 CG ASP A 37 -0.532 3.246 -14.905 1.00 0.00 C ATOM 561 OD1 ASP A 37 -1.781 3.194 -14.936 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.162 3.579 -15.889 1.00 0.00 O ATOM 0 H ASP A 37 -1.555 4.435 -12.770 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.379 1.638 -12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.780 3.728 -13.286 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.857 2.053 -13.798 1.00 0.00 H new ATOM 567 N ILE A 38 0.054 3.087 -10.313 1.00 0.00 N ATOM 568 CA ILE A 38 0.735 2.883 -9.045 1.00 0.00 C ATOM 569 C ILE A 38 0.057 1.774 -8.252 1.00 0.00 C ATOM 570 O ILE A 38 0.678 0.766 -7.911 1.00 0.00 O ATOM 571 CB ILE A 38 0.735 4.177 -8.202 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.315 5.339 -9.009 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.522 3.977 -6.914 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.737 5.109 -9.465 1.00 0.00 C ATOM 0 H ILE A 38 -0.342 4.020 -10.429 1.00 0.00 H new ATOM 0 HA ILE A 38 1.765 2.601 -9.264 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.295 4.418 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.686 5.514 -9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.278 6.245 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.511 4.900 -6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.068 3.176 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.552 3.712 -7.154 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.082 5.974 -10.031 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.379 4.964 -8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.777 4.222 -10.097 1.00 0.00 H new ATOM 586 N ALA A 39 -1.230 1.961 -7.968 1.00 0.00 N ATOM 587 CA ALA A 39 -1.995 0.970 -7.222 1.00 0.00 C ATOM 588 C ALA A 39 -2.069 -0.347 -7.984 1.00 0.00 C ATOM 589 O ALA A 39 -2.312 -1.400 -7.397 1.00 0.00 O ATOM 590 CB ALA A 39 -3.392 1.493 -6.926 1.00 0.00 C ATOM 0 H ALA A 39 -1.762 2.787 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.484 0.786 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.951 0.742 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.321 2.406 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.906 1.707 -7.863 1.00 0.00 H new ATOM 596 N ALA A 40 -1.855 -0.281 -9.294 1.00 0.00 N ATOM 597 CA ALA A 40 -1.896 -1.472 -10.128 1.00 0.00 C ATOM 598 C ALA A 40 -0.580 -2.227 -10.063 1.00 0.00 C ATOM 599 O ALA A 40 -0.565 -3.451 -9.982 1.00 0.00 O ATOM 600 CB ALA A 40 -2.232 -1.105 -11.565 1.00 0.00 C ATOM 0 H ALA A 40 -1.652 0.582 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.679 -2.126 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.258 -2.008 -12.175 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.206 -0.617 -11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.473 -0.427 -11.954 1.00 0.00 H new ATOM 606 N TYR A 41 0.522 -1.495 -10.088 1.00 0.00 N ATOM 607 CA TYR A 41 1.834 -2.119 -10.024 1.00 0.00 C ATOM 608 C TYR A 41 2.083 -2.701 -8.639 1.00 0.00 C ATOM 609 O TYR A 41 2.887 -3.618 -8.476 1.00 0.00 O ATOM 610 CB TYR A 41 2.928 -1.110 -10.377 1.00 0.00 C ATOM 611 CG TYR A 41 4.324 -1.691 -10.340 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.678 -2.752 -11.164 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.287 -1.179 -9.478 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.952 -3.286 -11.132 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.563 -1.708 -9.440 1.00 0.00 C ATOM 616 CZ TYR A 41 6.890 -2.761 -10.268 1.00 0.00 C ATOM 617 OH TYR A 41 8.160 -3.290 -10.233 1.00 0.00 O ATOM 0 H TYR A 41 0.535 -0.477 -10.152 1.00 0.00 H new ATOM 0 HA TYR A 41 1.861 -2.930 -10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.736 -0.712 -11.373 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.874 -0.271 -9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.945 -3.166 -11.841 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.034 -0.355 -8.828 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.212 -4.110 -11.780 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.300 -1.299 -8.765 1.00 0.00 H new ATOM 0 HH TYR A 41 8.698 -2.806 -9.572 1.00 0.00 H new ATOM 627 N ILE A 42 1.373 -2.179 -7.645 1.00 0.00 N ATOM 628 CA ILE A 42 1.508 -2.666 -6.283 1.00 0.00 C ATOM 629 C ILE A 42 0.658 -3.915 -6.093 1.00 0.00 C ATOM 630 O ILE A 42 1.134 -4.933 -5.586 1.00 0.00 O ATOM 631 CB ILE A 42 1.100 -1.590 -5.255 1.00 0.00 C ATOM 632 CG1 ILE A 42 2.020 -0.372 -5.372 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.142 -2.153 -3.840 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.584 0.799 -4.520 1.00 0.00 C ATOM 0 H ILE A 42 0.701 -1.421 -7.759 1.00 0.00 H new ATOM 0 HA ILE A 42 2.557 -2.909 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 42 0.077 -1.279 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.031 -0.662 -5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.061 -0.057 -6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.851 -1.378 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.452 -2.993 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.153 -2.491 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.282 1.626 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.585 1.116 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.570 0.501 -3.472 1.00 0.00 H new ATOM 646 N LYS A 43 -0.599 -3.842 -6.523 1.00 0.00 N ATOM 647 CA LYS A 43 -1.493 -4.981 -6.411 1.00 0.00 C ATOM 648 C LYS A 43 -1.068 -6.070 -7.388 1.00 0.00 C ATOM 649 O LYS A 43 -1.195 -7.258 -7.099 1.00 0.00 O ATOM 650 CB LYS A 43 -2.950 -4.575 -6.664 1.00 0.00 C ATOM 651 CG LYS A 43 -3.302 -4.376 -8.132 1.00 0.00 C ATOM 652 CD LYS A 43 -4.784 -4.079 -8.305 1.00 0.00 C ATOM 653 CE LYS A 43 -5.217 -4.185 -9.761 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.531 -3.188 -10.627 1.00 0.00 N ATOM 0 H LYS A 43 -1.015 -3.013 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.429 -5.366 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.605 -5.339 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.155 -3.650 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.713 -3.555 -8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.039 -5.270 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.367 -4.775 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.999 -3.077 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.006 -5.189 -10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.295 -4.041 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.975 -3.181 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.611 -2.243 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.527 -3.442 -10.720 1.00 0.00 H new ATOM 668 N LYS A 44 -0.546 -5.659 -8.545 1.00 0.00 N ATOM 669 CA LYS A 44 -0.092 -6.620 -9.545 1.00 0.00 C ATOM 670 C LYS A 44 1.198 -7.292 -9.093 1.00 0.00 C ATOM 671 O LYS A 44 1.390 -8.491 -9.299 1.00 0.00 O ATOM 672 CB LYS A 44 0.107 -5.944 -10.904 1.00 0.00 C ATOM 673 CG LYS A 44 -1.196 -5.554 -11.585 1.00 0.00 C ATOM 674 CD LYS A 44 -0.943 -4.812 -12.888 1.00 0.00 C ATOM 675 CE LYS A 44 -0.172 -5.668 -13.878 1.00 0.00 C ATOM 676 NZ LYS A 44 0.068 -4.952 -15.162 1.00 0.00 N ATOM 0 H LYS A 44 -0.429 -4.681 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.863 -7.383 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.719 -5.052 -10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.662 -6.617 -11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.786 -6.449 -11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.784 -4.926 -10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.894 -4.513 -13.328 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.385 -3.898 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.783 -5.958 -13.440 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.726 -6.586 -14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.597 -5.570 -15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.844 -4.697 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.619 -4.089 -14.980 1.00 0.00 H new ATOM 690 N GLU A 45 2.079 -6.520 -8.463 1.00 0.00 N ATOM 691 CA GLU A 45 3.342 -7.056 -7.972 1.00 0.00 C ATOM 692 C GLU A 45 3.091 -8.139 -6.930 1.00 0.00 C ATOM 693 O GLU A 45 3.764 -9.169 -6.914 1.00 0.00 O ATOM 694 CB GLU A 45 4.198 -5.938 -7.372 1.00 0.00 C ATOM 695 CG GLU A 45 5.529 -6.421 -6.817 1.00 0.00 C ATOM 696 CD GLU A 45 6.398 -7.075 -7.875 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.737 -6.395 -8.867 1.00 0.00 O ATOM 698 OE2 GLU A 45 6.739 -8.265 -7.712 1.00 0.00 O ATOM 0 H GLU A 45 1.941 -5.526 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 45 3.879 -7.497 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.385 -5.185 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.637 -5.450 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.065 -5.577 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.346 -7.132 -6.011 1.00 0.00 H new ATOM 705 N PHE A 46 2.112 -7.898 -6.061 1.00 0.00 N ATOM 706 CA PHE A 46 1.767 -8.855 -5.014 1.00 0.00 C ATOM 707 C PHE A 46 0.864 -9.967 -5.550 1.00 0.00 C ATOM 708 O PHE A 46 0.987 -11.122 -5.146 1.00 0.00 O ATOM 709 CB PHE A 46 1.081 -8.141 -3.848 1.00 0.00 C ATOM 710 CG PHE A 46 2.015 -7.305 -3.018 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.801 -6.322 -3.600 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.106 -7.504 -1.650 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.658 -5.554 -2.833 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.961 -6.740 -0.878 1.00 0.00 C ATOM 715 CZ PHE A 46 3.738 -5.764 -1.470 1.00 0.00 C ATOM 0 H PHE A 46 1.545 -7.050 -6.061 1.00 0.00 H new ATOM 0 HA PHE A 46 2.692 -9.311 -4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.288 -7.504 -4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.606 -8.884 -3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.743 -6.154 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.501 -8.266 -1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.264 -4.791 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.021 -6.906 0.187 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.407 -5.166 -0.869 1.00 0.00 H new ATOM 725 N ASP A 47 -0.041 -9.615 -6.460 1.00 0.00 N ATOM 726 CA ASP A 47 -0.958 -10.592 -7.040 1.00 0.00 C ATOM 727 C ASP A 47 -0.249 -11.486 -8.057 1.00 0.00 C ATOM 728 O ASP A 47 -0.658 -12.624 -8.285 1.00 0.00 O ATOM 729 CB ASP A 47 -2.146 -9.890 -7.702 1.00 0.00 C ATOM 730 CG ASP A 47 -3.030 -9.173 -6.698 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.719 -9.224 -5.489 1.00 0.00 O ATOM 732 OD2 ASP A 47 -4.033 -8.562 -7.121 1.00 0.00 O ATOM 0 H ASP A 47 -0.159 -8.664 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.324 -11.221 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.777 -9.172 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.741 -10.624 -8.246 1.00 0.00 H new ATOM 737 N LYS A 48 0.815 -10.967 -8.663 1.00 0.00 N ATOM 738 CA LYS A 48 1.577 -11.726 -9.649 1.00 0.00 C ATOM 739 C LYS A 48 2.705 -12.514 -8.988 1.00 0.00 C ATOM 740 O LYS A 48 3.743 -12.764 -9.601 1.00 0.00 O ATOM 741 CB LYS A 48 2.147 -10.791 -10.719 1.00 0.00 C ATOM 742 CG LYS A 48 1.083 -10.124 -11.576 1.00 0.00 C ATOM 743 CD LYS A 48 1.696 -9.171 -12.589 1.00 0.00 C ATOM 744 CE LYS A 48 2.652 -9.893 -13.527 1.00 0.00 C ATOM 745 NZ LYS A 48 3.245 -8.969 -14.532 1.00 0.00 N ATOM 0 H LYS A 48 1.168 -10.026 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 48 0.898 -12.435 -10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.746 -10.020 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.818 -11.358 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.504 -10.887 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.389 -9.579 -10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.904 -8.697 -13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.228 -8.376 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.449 -10.358 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.121 -10.695 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.890 -9.499 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.487 -8.544 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.773 -8.218 -14.044 1.00 0.00 H new ATOM 759 N LYS A 49 2.495 -12.904 -7.735 1.00 0.00 N ATOM 760 CA LYS A 49 3.493 -13.664 -6.991 1.00 0.00 C ATOM 761 C LYS A 49 2.832 -14.489 -5.891 1.00 0.00 C ATOM 762 O LYS A 49 3.157 -15.661 -5.700 1.00 0.00 O ATOM 763 CB LYS A 49 4.535 -12.723 -6.385 1.00 0.00 C ATOM 764 CG LYS A 49 5.618 -13.441 -5.596 1.00 0.00 C ATOM 765 CD LYS A 49 6.611 -12.461 -4.989 1.00 0.00 C ATOM 766 CE LYS A 49 7.309 -11.639 -6.061 1.00 0.00 C ATOM 767 NZ LYS A 49 8.290 -10.685 -5.477 1.00 0.00 N ATOM 0 H LYS A 49 1.641 -12.706 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 49 3.990 -14.343 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.001 -12.147 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.032 -12.011 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.160 -14.033 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.145 -14.136 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.092 -11.796 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.353 -13.007 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.820 -12.306 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.566 -11.088 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.744 -10.144 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.798 -10.032 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.014 -11.212 -4.948 1.00 0.00 H new ATOM 781 N TYR A 50 1.905 -13.867 -5.172 1.00 0.00 N ATOM 782 CA TYR A 50 1.197 -14.538 -4.088 1.00 0.00 C ATOM 783 C TYR A 50 -0.247 -14.859 -4.477 1.00 0.00 C ATOM 784 O TYR A 50 -0.969 -15.508 -3.719 1.00 0.00 O ATOM 785 CB TYR A 50 1.217 -13.670 -2.830 1.00 0.00 C ATOM 786 CG TYR A 50 2.608 -13.411 -2.296 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.429 -14.462 -1.905 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.099 -12.117 -2.180 1.00 0.00 C ATOM 789 CE1 TYR A 50 4.699 -14.230 -1.416 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.369 -11.877 -1.692 1.00 0.00 C ATOM 791 CZ TYR A 50 5.165 -12.935 -1.310 1.00 0.00 C ATOM 792 OH TYR A 50 6.430 -12.701 -0.824 1.00 0.00 O ATOM 0 H TYR A 50 1.626 -12.897 -5.320 1.00 0.00 H new ATOM 0 HA TYR A 50 1.709 -15.479 -3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.737 -12.716 -3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.623 -14.155 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.068 -15.477 -1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.478 -11.285 -2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.325 -15.058 -1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.736 -10.865 -1.610 1.00 0.00 H new ATOM 0 HH TYR A 50 6.604 -11.737 -0.815 1.00 0.00 H new ATOM 802 N ASN A 51 -0.666 -14.408 -5.657 1.00 0.00 N ATOM 803 CA ASN A 51 -2.023 -14.656 -6.135 1.00 0.00 C ATOM 804 C ASN A 51 -3.058 -13.987 -5.228 1.00 0.00 C ATOM 805 O ASN A 51 -2.755 -13.624 -4.091 1.00 0.00 O ATOM 806 CB ASN A 51 -2.289 -16.162 -6.208 1.00 0.00 C ATOM 807 CG ASN A 51 -1.328 -16.874 -7.141 1.00 0.00 C ATOM 808 OD1 ASN A 51 -1.270 -16.579 -8.335 1.00 0.00 O ATOM 809 ND2 ASN A 51 -0.567 -17.819 -6.600 1.00 0.00 N ATOM 0 H ASN A 51 -0.085 -13.869 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.114 -14.226 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.207 -16.592 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.312 -16.332 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.098 -18.332 -7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.647 -18.031 -5.606 1.00 0.00 H new ATOM 816 N PRO A 52 -4.299 -13.815 -5.724 1.00 0.00 N ATOM 817 CA PRO A 52 -5.383 -13.188 -4.957 1.00 0.00 C ATOM 818 C PRO A 52 -5.480 -13.735 -3.532 1.00 0.00 C ATOM 819 O PRO A 52 -4.780 -14.687 -3.187 1.00 0.00 O ATOM 820 CB PRO A 52 -6.628 -13.555 -5.766 1.00 0.00 C ATOM 821 CG PRO A 52 -6.139 -13.668 -7.167 1.00 0.00 C ATOM 822 CD PRO A 52 -4.742 -14.220 -7.075 1.00 0.00 C ATOM 0 HA PRO A 52 -5.237 -12.115 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.064 -14.492 -5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.400 -12.791 -5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.781 -14.326 -7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.143 -12.697 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.730 -15.303 -7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.096 -13.808 -7.850 1.00 0.00 H new ATOM 830 N THR A 53 -6.346 -13.145 -2.692 1.00 0.00 N ATOM 831 CA THR A 53 -7.194 -12.011 -3.077 1.00 0.00 C ATOM 832 C THR A 53 -6.887 -10.794 -2.214 1.00 0.00 C ATOM 833 O THR A 53 -7.109 -10.811 -1.004 1.00 0.00 O ATOM 834 CB THR A 53 -8.671 -12.378 -2.931 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.968 -12.736 -1.594 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.100 -13.525 -3.820 1.00 0.00 C ATOM 0 H THR A 53 -6.476 -13.444 -1.725 1.00 0.00 H new ATOM 0 HA THR A 53 -6.984 -11.770 -4.119 1.00 0.00 H new ATOM 0 HB THR A 53 -9.218 -11.485 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.416 -12.205 -0.983 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.159 -13.730 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.932 -13.259 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.518 -14.413 -3.574 1.00 0.00 H new ATOM 844 N TRP A 54 -6.372 -9.741 -2.840 1.00 0.00 N ATOM 845 CA TRP A 54 -6.030 -8.524 -2.115 1.00 0.00 C ATOM 846 C TRP A 54 -6.912 -7.358 -2.559 1.00 0.00 C ATOM 847 O TRP A 54 -7.833 -7.525 -3.359 1.00 0.00 O ATOM 848 CB TRP A 54 -4.558 -8.151 -2.351 1.00 0.00 C ATOM 849 CG TRP A 54 -3.613 -9.320 -2.348 1.00 0.00 C ATOM 850 CD1 TRP A 54 -3.691 -10.438 -3.129 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.436 -9.480 -1.539 1.00 0.00 C ATOM 852 NE1 TRP A 54 -2.650 -11.286 -2.848 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.865 -10.720 -1.879 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.811 -8.698 -0.558 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.702 -11.198 -1.277 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.658 -9.175 0.035 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.114 -10.412 -0.326 1.00 0.00 C ATOM 0 H TRP A 54 -6.183 -9.706 -3.842 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.194 -8.716 -1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.475 -7.635 -3.308 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.247 -7.446 -1.581 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.461 -10.627 -3.862 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.487 -12.191 -3.289 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.223 -7.742 -0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.281 -12.154 -1.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.167 -8.581 0.792 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.790 -10.753 0.157 1.00 0.00 H new ATOM 868 N HIS A 55 -6.598 -6.172 -2.044 1.00 0.00 N ATOM 869 CA HIS A 55 -7.325 -4.951 -2.384 1.00 0.00 C ATOM 870 C HIS A 55 -6.511 -3.724 -1.983 1.00 0.00 C ATOM 871 O HIS A 55 -6.934 -2.931 -1.142 1.00 0.00 O ATOM 872 CB HIS A 55 -8.698 -4.910 -1.707 1.00 0.00 C ATOM 873 CG HIS A 55 -9.698 -5.850 -2.306 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.516 -6.764 -1.729 1.00 0.00 N flip ATOM 875 CD2 HIS A 55 -9.966 -5.903 -3.658 1.00 0.00 C flip ATOM 876 CE1 HIS A 55 -11.249 -7.345 -2.733 1.00 0.00 C flip ATOM 877 NE2 HIS A 55 -10.902 -6.807 -3.887 1.00 0.00 N flip ATOM 0 H HIS A 55 -5.835 -6.030 -1.382 1.00 0.00 H new ATOM 0 HA HIS A 55 -7.480 -4.945 -3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.578 -5.148 -0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.090 -3.894 -1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.485 -5.299 -4.413 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.991 -8.119 -2.600 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.290 -7.048 -4.799 1.00 0.00 H new ATOM 886 N CYS A 56 -5.334 -3.585 -2.585 1.00 0.00 N ATOM 887 CA CYS A 56 -4.445 -2.464 -2.292 1.00 0.00 C ATOM 888 C CYS A 56 -5.163 -1.127 -2.453 1.00 0.00 C ATOM 889 O CYS A 56 -5.914 -0.922 -3.406 1.00 0.00 O ATOM 890 CB CYS A 56 -3.217 -2.510 -3.203 1.00 0.00 C ATOM 891 SG CYS A 56 -2.028 -1.179 -2.913 1.00 0.00 S ATOM 0 H CYS A 56 -4.972 -4.237 -3.281 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.127 -2.554 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.714 -3.467 -3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.547 -2.467 -4.241 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.567 -0.753 -4.051 1.00 0.00 H new ATOM 897 N ILE A 57 -4.913 -0.218 -1.515 1.00 0.00 N ATOM 898 CA ILE A 57 -5.522 1.105 -1.548 1.00 0.00 C ATOM 899 C ILE A 57 -4.454 2.175 -1.731 1.00 0.00 C ATOM 900 O ILE A 57 -3.318 2.007 -1.295 1.00 0.00 O ATOM 901 CB ILE A 57 -6.305 1.397 -0.254 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.253 0.246 0.070 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.080 2.698 -0.369 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.177 -0.121 -1.071 1.00 0.00 C ATOM 0 H ILE A 57 -4.291 -0.375 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.215 1.123 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.585 1.498 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.666 -0.630 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.853 0.515 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.624 2.881 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.387 3.519 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.786 2.629 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.821 -0.946 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.791 0.741 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.586 -0.422 -1.936 1.00 0.00 H new ATOM 916 N VAL A 58 -4.826 3.275 -2.374 1.00 0.00 N ATOM 917 CA VAL A 58 -3.895 4.373 -2.610 1.00 0.00 C ATOM 918 C VAL A 58 -4.591 5.721 -2.447 1.00 0.00 C ATOM 919 O VAL A 58 -4.551 6.570 -3.338 1.00 0.00 O ATOM 920 CB VAL A 58 -3.262 4.287 -4.014 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.238 5.399 -4.216 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.624 2.922 -4.224 1.00 0.00 C ATOM 0 H VAL A 58 -5.765 3.431 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.103 4.286 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.050 4.417 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.805 5.318 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.727 6.367 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.449 5.307 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.182 2.876 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.849 2.764 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.384 2.147 -4.129 1.00 0.00 H new ATOM 932 N GLY A 59 -5.228 5.906 -1.298 1.00 0.00 N ATOM 933 CA GLY A 59 -5.927 7.145 -1.021 1.00 0.00 C ATOM 934 C GLY A 59 -6.047 7.400 0.466 1.00 0.00 C ATOM 935 O GLY A 59 -5.434 8.329 0.995 1.00 0.00 O ATOM 0 H GLY A 59 -5.273 5.215 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.398 7.974 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.922 7.109 -1.465 1.00 0.00 H new ATOM 939 N ARG A 60 -6.825 6.564 1.144 1.00 0.00 N ATOM 940 CA ARG A 60 -7.010 6.690 2.580 1.00 0.00 C ATOM 941 C ARG A 60 -7.891 5.573 3.126 1.00 0.00 C ATOM 942 O ARG A 60 -7.546 4.928 4.116 1.00 0.00 O ATOM 943 CB ARG A 60 -7.592 8.062 2.945 1.00 0.00 C ATOM 944 CG ARG A 60 -8.987 8.325 2.401 1.00 0.00 C ATOM 945 CD ARG A 60 -9.014 8.357 0.879 1.00 0.00 C ATOM 946 NE ARG A 60 -10.326 8.744 0.365 1.00 0.00 N ATOM 947 CZ ARG A 60 -10.614 8.848 -0.929 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.686 8.598 -1.845 1.00 0.00 N ATOM 949 NH2 ARG A 60 -11.833 9.204 -1.311 1.00 0.00 N ATOM 0 H ARG A 60 -7.337 5.791 0.719 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.028 6.602 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.617 8.154 4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.920 8.837 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.666 7.551 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.353 9.275 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.261 9.058 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.747 7.374 0.490 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.065 8.946 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.746 8.324 -1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.913 8.679 -2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.550 9.398 -0.612 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.053 9.284 -2.304 1.00 0.00 H new ATOM 963 N ASN A 61 -9.026 5.347 2.481 1.00 0.00 N ATOM 964 CA ASN A 61 -9.946 4.300 2.919 1.00 0.00 C ATOM 965 C ASN A 61 -11.092 4.093 1.932 1.00 0.00 C ATOM 966 O ASN A 61 -12.136 3.555 2.301 1.00 0.00 O ATOM 967 CB ASN A 61 -10.535 4.669 4.285 1.00 0.00 C ATOM 968 CG ASN A 61 -11.574 5.795 4.225 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.751 6.425 3.058 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -12.207 6.108 5.236 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.333 5.868 1.659 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.376 3.373 2.981 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.997 3.784 4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.726 4.969 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.050 5.609 6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.888 6.866 5.197 1.00 0.00 H new ATOM 977 N PHE A 62 -10.929 4.557 0.698 1.00 0.00 N ATOM 978 CA PHE A 62 -12.002 4.439 -0.273 1.00 0.00 C ATOM 979 C PHE A 62 -12.382 2.979 -0.510 1.00 0.00 C ATOM 980 O PHE A 62 -13.544 2.665 -0.765 1.00 0.00 O ATOM 981 CB PHE A 62 -11.641 5.113 -1.602 1.00 0.00 C ATOM 982 CG PHE A 62 -10.407 4.562 -2.256 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.149 4.985 -1.862 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.506 3.617 -3.265 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.015 4.475 -2.462 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.374 3.104 -3.868 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.125 3.534 -3.465 1.00 0.00 C ATOM 0 H PHE A 62 -10.082 5.009 0.354 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.865 4.956 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.480 5.008 -2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.501 6.180 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.054 5.721 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.480 3.277 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.039 4.813 -2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.466 2.368 -4.653 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.237 3.135 -3.933 1.00 0.00 H new ATOM 997 N GLY A 63 -11.396 2.090 -0.423 1.00 0.00 N ATOM 998 CA GLY A 63 -11.656 0.675 -0.627 1.00 0.00 C ATOM 999 C GLY A 63 -12.427 0.059 0.524 1.00 0.00 C ATOM 1000 O GLY A 63 -13.516 -0.485 0.333 1.00 0.00 O ATOM 0 H GLY A 63 -10.425 2.323 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.218 0.541 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.710 0.148 -0.751 1.00 0.00 H new ATOM 1004 N SER A 64 -11.861 0.151 1.723 1.00 0.00 N ATOM 1005 CA SER A 64 -12.492 -0.389 2.925 1.00 0.00 C ATOM 1006 C SER A 64 -12.913 -1.848 2.743 1.00 0.00 C ATOM 1007 O SER A 64 -14.098 -2.149 2.598 1.00 0.00 O ATOM 1008 CB SER A 64 -13.708 0.458 3.311 1.00 0.00 C ATOM 1009 OG SER A 64 -14.678 0.464 2.279 1.00 0.00 O ATOM 0 H SER A 64 -10.959 0.598 1.890 1.00 0.00 H new ATOM 0 HA SER A 64 -11.753 -0.353 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.151 0.067 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.391 1.479 3.521 1.00 0.00 H new ATOM 0 HG SER A 64 -14.583 -0.347 1.736 1.00 0.00 H new ATOM 1015 N TYR A 65 -11.937 -2.751 2.776 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.206 -4.181 2.635 1.00 0.00 C ATOM 1017 C TYR A 65 -11.275 -4.984 3.538 1.00 0.00 C ATOM 1018 O TYR A 65 -10.910 -6.116 3.218 1.00 0.00 O ATOM 1019 CB TYR A 65 -12.022 -4.639 1.185 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.795 -3.829 0.172 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -14.161 -3.625 0.308 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -12.154 -3.275 -0.929 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -14.868 -2.888 -0.624 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -12.852 -2.536 -1.864 1.00 0.00 C ATOM 1025 CZ TYR A 65 -14.209 -2.344 -1.708 1.00 0.00 C ATOM 1026 OH TYR A 65 -14.909 -1.610 -2.637 1.00 0.00 O ATOM 0 H TYR A 65 -10.951 -2.519 2.899 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.242 -4.354 2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.962 -4.595 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.325 -5.683 1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.680 -4.049 1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.092 -3.425 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.931 -2.739 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.338 -2.111 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.297 -1.298 -3.336 1.00 0.00 H new ATOM 1036 N VAL A 66 -10.877 -4.385 4.654 1.00 0.00 N ATOM 1037 CA VAL A 66 -9.970 -5.040 5.588 1.00 0.00 C ATOM 1038 C VAL A 66 -10.543 -6.352 6.102 1.00 0.00 C ATOM 1039 O VAL A 66 -9.968 -7.415 5.881 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.628 -4.133 6.785 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.623 -4.817 7.703 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -9.092 -2.795 6.299 1.00 0.00 C ATOM 0 H VAL A 66 -11.168 -3.448 4.934 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.056 -5.247 5.030 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.539 -3.951 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.393 -4.162 8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.047 -5.750 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.709 -5.030 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.855 -2.165 7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.191 -2.957 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.846 -2.303 5.684 1.00 0.00 H new ATOM 1052 N THR A 67 -11.672 -6.281 6.790 1.00 0.00 N ATOM 1053 CA THR A 67 -12.305 -7.478 7.336 1.00 0.00 C ATOM 1054 C THR A 67 -12.562 -8.505 6.242 1.00 0.00 C ATOM 1055 O THR A 67 -12.506 -9.711 6.483 1.00 0.00 O ATOM 1056 CB THR A 67 -13.614 -7.119 8.043 1.00 0.00 C ATOM 1057 OG1 THR A 67 -13.379 -6.194 9.091 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.320 -8.316 8.640 1.00 0.00 C ATOM 0 H THR A 67 -12.169 -5.412 6.985 1.00 0.00 H new ATOM 0 HA THR A 67 -11.623 -7.917 8.064 1.00 0.00 H new ATOM 0 HB THR A 67 -14.251 -6.690 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.227 -5.975 9.530 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.240 -7.991 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.559 -9.029 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.671 -8.792 9.375 1.00 0.00 H new ATOM 1066 N HIS A 68 -12.820 -8.024 5.033 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.058 -8.910 3.903 1.00 0.00 C ATOM 1068 C HIS A 68 -11.733 -9.480 3.395 1.00 0.00 C ATOM 1069 O HIS A 68 -11.712 -10.332 2.507 1.00 0.00 O ATOM 1070 CB HIS A 68 -13.775 -8.156 2.782 1.00 0.00 C ATOM 1071 CG HIS A 68 -14.249 -9.037 1.666 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -14.214 -10.382 1.520 1.00 0.00 N flip ATOM 1073 CD2 HIS A 68 -14.858 -8.546 0.529 1.00 0.00 C flip ATOM 1074 CE1 HIS A 68 -14.794 -10.676 0.311 1.00 0.00 C flip ATOM 1075 NE2 HIS A 68 -15.175 -9.552 -0.266 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.870 -7.030 4.811 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.692 -9.734 4.229 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.630 -7.626 3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.101 -7.402 2.376 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -13.828 -11.053 2.185 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.046 -7.503 0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.918 -11.667 -0.101 1.00 0.00 H new ATOM 1084 N GLU A 69 -10.628 -8.999 3.969 1.00 0.00 N ATOM 1085 CA GLU A 69 -9.291 -9.445 3.590 1.00 0.00 C ATOM 1086 C GLU A 69 -8.276 -9.120 4.686 1.00 0.00 C ATOM 1087 O GLU A 69 -7.233 -8.521 4.425 1.00 0.00 O ATOM 1088 CB GLU A 69 -8.867 -8.779 2.276 1.00 0.00 C ATOM 1089 CG GLU A 69 -9.526 -9.365 1.039 1.00 0.00 C ATOM 1090 CD GLU A 69 -8.960 -8.795 -0.246 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -8.076 -7.917 -0.167 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -9.402 -9.229 -1.331 1.00 0.00 O ATOM 0 H GLU A 69 -10.637 -8.293 4.705 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.319 -10.526 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.101 -7.716 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.785 -8.863 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.396 -10.447 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.598 -9.172 1.077 1.00 0.00 H new ATOM 1099 N THR A 70 -8.600 -9.505 5.919 1.00 0.00 N ATOM 1100 CA THR A 70 -7.726 -9.240 7.061 1.00 0.00 C ATOM 1101 C THR A 70 -6.670 -10.327 7.249 1.00 0.00 C ATOM 1102 O THR A 70 -5.760 -10.175 8.064 1.00 0.00 O ATOM 1103 CB THR A 70 -8.560 -9.119 8.331 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.475 -8.044 8.230 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.734 -8.898 9.581 1.00 0.00 C ATOM 0 H THR A 70 -9.460 -10.001 6.153 1.00 0.00 H new ATOM 0 HA THR A 70 -7.205 -8.304 6.859 1.00 0.00 H new ATOM 0 HB THR A 70 -9.076 -10.075 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.969 -8.113 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.394 -8.821 10.445 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.052 -9.737 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.161 -7.977 9.480 1.00 0.00 H new ATOM 1113 N LYS A 71 -6.790 -11.425 6.506 1.00 0.00 N ATOM 1114 CA LYS A 71 -5.841 -12.530 6.611 1.00 0.00 C ATOM 1115 C LYS A 71 -4.394 -12.034 6.635 1.00 0.00 C ATOM 1116 O LYS A 71 -3.507 -12.710 7.152 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.036 -13.497 5.446 1.00 0.00 C ATOM 1118 CG LYS A 71 -5.251 -14.790 5.591 1.00 0.00 C ATOM 1119 CD LYS A 71 -5.644 -15.536 6.854 1.00 0.00 C ATOM 1120 CE LYS A 71 -4.740 -15.185 8.027 1.00 0.00 C ATOM 1121 NZ LYS A 71 -3.315 -15.514 7.746 1.00 0.00 N ATOM 0 H LYS A 71 -7.535 -11.573 5.825 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.034 -13.044 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.096 -13.734 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.739 -13.003 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.427 -15.424 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.184 -14.569 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.677 -15.299 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.599 -16.609 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.830 -14.122 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.070 -15.726 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.881 -15.930 8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.264 -16.195 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.803 -14.647 7.485 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.169 -10.850 6.070 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.838 -10.248 6.016 1.00 0.00 C ATOM 1137 C HIS A 72 -2.930 -8.819 5.494 1.00 0.00 C ATOM 1138 O HIS A 72 -3.046 -8.598 4.290 1.00 0.00 O ATOM 1139 CB HIS A 72 -1.909 -11.071 5.120 1.00 0.00 C ATOM 1140 CG HIS A 72 -1.098 -12.093 5.858 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -0.920 -12.297 7.185 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -0.324 -13.040 5.222 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -0.054 -13.353 7.323 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 0.291 -13.784 6.124 1.00 0.00 N flip ATOM 0 H HIS A 72 -4.899 -10.283 5.639 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.426 -10.235 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.507 -11.576 4.361 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.233 -10.395 4.596 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.234 -13.156 4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.289 -13.765 8.261 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.924 -14.559 5.927 1.00 0.00 H new ATOM 1153 N PHE A 73 -2.895 -7.854 6.408 1.00 0.00 N ATOM 1154 CA PHE A 73 -2.995 -6.447 6.033 1.00 0.00 C ATOM 1155 C PHE A 73 -1.702 -5.689 6.328 1.00 0.00 C ATOM 1156 O PHE A 73 -0.834 -6.170 7.055 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.151 -5.777 6.785 1.00 0.00 C ATOM 1158 CG PHE A 73 -3.770 -5.311 8.163 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.375 -6.214 9.136 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -3.780 -3.961 8.472 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.000 -5.781 10.391 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.409 -3.520 9.726 1.00 0.00 C ATOM 1163 CZ PHE A 73 -3.017 -4.431 10.689 1.00 0.00 C ATOM 0 H PHE A 73 -2.799 -8.019 7.410 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.179 -6.412 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.507 -4.925 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.981 -6.479 6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.360 -7.270 8.910 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.082 -3.245 7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.693 -6.496 11.140 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.425 -2.465 9.955 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.725 -4.089 11.671 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.601 -4.487 5.772 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.437 -3.636 5.974 1.00 0.00 C ATOM 1175 C ILE A 74 -0.799 -2.175 5.684 1.00 0.00 C ATOM 1176 O ILE A 74 -1.288 -1.859 4.600 1.00 0.00 O ATOM 1177 CB ILE A 74 0.730 -4.069 5.066 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.978 -3.245 5.365 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.348 -3.942 3.600 1.00 0.00 C ATOM 1180 CD1 ILE A 74 3.137 -3.572 4.455 1.00 0.00 C ATOM 0 H ILE A 74 -2.318 -4.078 5.173 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.122 -3.735 7.013 1.00 0.00 H new ATOM 0 HB ILE A 74 0.950 -5.116 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.738 -2.186 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.278 -3.413 6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.187 -4.253 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.513 -4.577 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.096 -2.905 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.994 -2.952 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.402 -4.623 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.854 -3.377 3.421 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.582 -1.287 6.655 1.00 0.00 N ATOM 1193 CA TYR A 75 -0.917 0.127 6.477 1.00 0.00 C ATOM 1194 C TYR A 75 0.326 1.011 6.402 1.00 0.00 C ATOM 1195 O TYR A 75 1.279 0.830 7.157 1.00 0.00 O ATOM 1196 CB TYR A 75 -1.812 0.613 7.619 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.236 0.092 7.576 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.677 -0.735 6.547 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.142 0.441 8.569 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -4.977 -1.199 6.515 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.444 -0.020 8.541 1.00 0.00 C ATOM 1202 CZ TYR A 75 -5.856 -0.839 7.513 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.153 -1.298 7.482 1.00 0.00 O ATOM 0 H TYR A 75 -0.180 -1.518 7.564 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.448 0.207 5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.361 0.318 8.566 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.838 1.703 7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.992 -1.018 5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.823 1.083 9.377 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.304 -1.842 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.136 0.260 9.322 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.502 -1.353 8.396 1.00 0.00 H new ATOM 1213 N PHE A 76 0.286 1.985 5.496 1.00 0.00 N ATOM 1214 CA PHE A 76 1.384 2.928 5.323 1.00 0.00 C ATOM 1215 C PHE A 76 0.960 4.058 4.390 1.00 0.00 C ATOM 1216 O PHE A 76 0.377 3.811 3.334 1.00 0.00 O ATOM 1217 CB PHE A 76 2.633 2.217 4.794 1.00 0.00 C ATOM 1218 CG PHE A 76 2.473 1.624 3.424 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.464 2.435 2.299 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.331 0.256 3.260 1.00 0.00 C ATOM 1221 CE1 PHE A 76 2.319 1.890 1.039 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.184 -0.294 2.001 1.00 0.00 C ATOM 1223 CZ PHE A 76 2.179 0.524 0.889 1.00 0.00 C ATOM 0 H PHE A 76 -0.502 2.141 4.867 1.00 0.00 H new ATOM 0 HA PHE A 76 1.634 3.357 6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.460 2.927 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.908 1.425 5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.572 3.504 2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.335 -0.389 4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.315 2.532 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.073 -1.362 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.066 0.097 -0.096 1.00 0.00 H new ATOM 1233 N TYR A 77 1.229 5.299 4.790 1.00 0.00 N ATOM 1234 CA TYR A 77 0.843 6.449 3.982 1.00 0.00 C ATOM 1235 C TYR A 77 2.028 7.367 3.704 1.00 0.00 C ATOM 1236 O TYR A 77 2.995 7.406 4.466 1.00 0.00 O ATOM 1237 CB TYR A 77 -0.283 7.235 4.666 1.00 0.00 C ATOM 1238 CG TYR A 77 0.135 8.003 5.901 1.00 0.00 C ATOM 1239 CD1 TYR A 77 0.659 7.356 7.012 1.00 0.00 C ATOM 1240 CD2 TYR A 77 -0.008 9.384 5.953 1.00 0.00 C ATOM 1241 CE1 TYR A 77 1.029 8.062 8.140 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.361 10.098 7.076 1.00 0.00 C ATOM 1243 CZ TYR A 77 0.879 9.433 8.168 1.00 0.00 C ATOM 1244 OH TYR A 77 1.245 10.141 9.289 1.00 0.00 O ATOM 0 H TYR A 77 1.708 5.531 5.660 1.00 0.00 H new ATOM 0 HA TYR A 77 0.483 6.069 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.706 7.936 3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.077 6.540 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.779 6.283 6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.415 9.908 5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.434 7.543 8.996 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.245 11.171 7.099 1.00 0.00 H new ATOM 0 HH TYR A 77 1.589 9.524 9.968 1.00 0.00 H new ATOM 1254 N LEU A 78 1.937 8.103 2.600 1.00 0.00 N ATOM 1255 CA LEU A 78 2.988 9.031 2.203 1.00 0.00 C ATOM 1256 C LEU A 78 2.473 10.465 2.231 1.00 0.00 C ATOM 1257 O LEU A 78 1.748 10.892 1.332 1.00 0.00 O ATOM 1258 CB LEU A 78 3.496 8.687 0.801 1.00 0.00 C ATOM 1259 CG LEU A 78 4.043 7.268 0.636 1.00 0.00 C ATOM 1260 CD1 LEU A 78 4.524 7.042 -0.789 1.00 0.00 C ATOM 1261 CD2 LEU A 78 5.170 7.014 1.626 1.00 0.00 C ATOM 0 H LEU A 78 1.141 8.073 1.962 1.00 0.00 H new ATOM 0 HA LEU A 78 3.812 8.941 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.681 8.830 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.280 9.395 0.532 1.00 0.00 H new ATOM 0 HG LEU A 78 3.237 6.563 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.909 6.027 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.693 7.182 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.315 7.754 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.548 6.000 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.976 7.727 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.795 7.133 2.643 1.00 0.00 H new ATOM 1273 N GLY A 79 2.849 11.204 3.268 1.00 0.00 N ATOM 1274 CA GLY A 79 2.410 12.582 3.391 1.00 0.00 C ATOM 1275 C GLY A 79 0.937 12.693 3.728 1.00 0.00 C ATOM 1276 O GLY A 79 0.567 12.787 4.899 1.00 0.00 O ATOM 0 H GLY A 79 3.449 10.875 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.995 13.079 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.606 13.107 2.456 1.00 0.00 H new ATOM 1280 N GLN A 80 0.091 12.687 2.701 1.00 0.00 N ATOM 1281 CA GLN A 80 -1.351 12.794 2.898 1.00 0.00 C ATOM 1282 C GLN A 80 -2.099 11.629 2.245 1.00 0.00 C ATOM 1283 O GLN A 80 -3.290 11.436 2.491 1.00 0.00 O ATOM 1284 CB GLN A 80 -1.878 14.120 2.342 1.00 0.00 C ATOM 1285 CG GLN A 80 -1.291 15.352 3.020 1.00 0.00 C ATOM 1286 CD GLN A 80 0.174 15.616 2.679 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.684 14.992 1.619 1.00 0.00 O flip ATOM 1288 NE2 GLN A 80 0.836 16.404 3.353 1.00 0.00 N flip ATOM 0 H GLN A 80 0.379 12.609 1.726 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.531 12.757 3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.661 14.167 1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.963 14.141 2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.881 16.224 2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.386 15.239 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.414 16.865 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.807 16.596 3.106 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.404 10.853 1.416 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.023 9.716 0.742 1.00 0.00 C ATOM 1299 C VAL A 81 -1.773 8.427 1.516 1.00 0.00 C ATOM 1300 O VAL A 81 -0.627 8.033 1.727 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.489 9.556 -0.695 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.191 8.407 -1.406 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.654 10.853 -1.474 1.00 0.00 C ATOM 0 H VAL A 81 -0.417 10.990 1.196 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.094 9.911 0.699 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.426 9.322 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.799 8.312 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.016 7.480 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.262 8.606 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.271 10.721 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.710 11.120 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.099 11.649 -0.977 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.851 7.775 1.941 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.737 6.535 2.696 1.00 0.00 C ATOM 1315 C ALA A 82 -2.930 5.314 1.808 1.00 0.00 C ATOM 1316 O ALA A 82 -3.911 5.214 1.069 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.731 6.518 3.850 1.00 0.00 C ATOM 0 H ALA A 82 -3.809 8.084 1.776 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.726 6.490 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.631 5.584 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.530 7.357 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.745 6.601 3.458 1.00 0.00 H new ATOM 1323 N ILE A 83 -1.986 4.383 1.898 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.042 3.158 1.120 1.00 0.00 C ATOM 1325 C ILE A 83 -2.342 1.974 2.032 1.00 0.00 C ATOM 1326 O ILE A 83 -1.719 1.811 3.082 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.722 2.911 0.362 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.420 4.095 -0.555 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.786 1.620 -0.444 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.902 3.977 -1.283 1.00 0.00 C ATOM 0 H ILE A 83 -1.171 4.458 2.506 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.840 3.265 0.385 1.00 0.00 H new ATOM 0 HB ILE A 83 0.080 2.811 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.221 4.190 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.419 5.011 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.158 1.471 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.965 0.780 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.597 1.684 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.049 4.853 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.713 3.913 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.898 3.080 -1.902 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.309 1.160 1.629 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.703 0.001 2.420 1.00 0.00 C ATOM 1344 C LEU A 84 -3.702 -1.273 1.588 1.00 0.00 C ATOM 1345 O LEU A 84 -4.582 -1.485 0.755 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.092 0.209 3.031 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.166 1.259 4.140 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -4.769 2.630 3.616 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -6.564 1.299 4.739 1.00 0.00 C ATOM 0 H LEU A 84 -3.833 1.280 0.762 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.968 -0.107 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.782 0.494 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.442 -0.743 3.430 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.461 0.980 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.830 3.360 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.748 2.593 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.445 2.922 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.601 2.051 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.286 1.552 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.809 0.323 5.158 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.721 -2.128 1.841 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.620 -3.397 1.138 1.00 0.00 C ATOM 1363 C LEU A 85 -3.010 -4.527 2.077 1.00 0.00 C ATOM 1364 O LEU A 85 -2.588 -4.560 3.233 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.205 -3.608 0.598 1.00 0.00 C ATOM 1366 CG LEU A 85 -0.974 -4.941 -0.116 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.876 -5.060 -1.336 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.488 -5.084 -0.511 1.00 0.00 C ATOM 0 H LEU A 85 -1.985 -1.965 2.528 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.302 -3.387 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.972 -2.798 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.501 -3.531 1.427 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.225 -5.749 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.696 -6.015 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.919 -5.003 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.660 -4.247 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.636 -6.037 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.765 -4.270 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.112 -5.047 0.382 1.00 0.00 H new ATOM 1380 N PHE A 86 -3.840 -5.435 1.594 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.304 -6.544 2.412 1.00 0.00 C ATOM 1382 C PHE A 86 -5.038 -7.578 1.568 1.00 0.00 C ATOM 1383 O PHE A 86 -5.547 -7.263 0.492 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.229 -6.023 3.514 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.253 -5.047 3.011 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -5.930 -3.709 2.827 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.531 -5.471 2.701 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -6.867 -2.817 2.347 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.472 -4.582 2.223 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.142 -3.254 2.043 1.00 0.00 C ATOM 0 H PHE A 86 -4.206 -5.427 0.642 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.435 -7.025 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.738 -6.866 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.629 -5.544 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.934 -3.363 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.796 -6.509 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.604 -1.779 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.469 -4.926 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.878 -2.559 1.666 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.094 -8.811 2.062 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.775 -9.879 1.342 1.00 0.00 C ATOM 1402 C LYS A 87 -6.463 -10.853 2.292 1.00 0.00 C ATOM 1403 O LYS A 87 -6.105 -10.963 3.463 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.795 -10.623 0.436 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.576 -11.189 1.147 1.00 0.00 C ATOM 1406 CD LYS A 87 -3.961 -12.251 2.161 1.00 0.00 C ATOM 1407 CE LYS A 87 -2.913 -13.347 2.237 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.244 -14.366 3.272 1.00 0.00 N ATOM 0 H LYS A 87 -4.680 -9.093 2.950 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.547 -9.418 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.324 -11.440 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.459 -9.944 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.893 -11.617 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.041 -10.383 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.083 -11.793 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.924 -12.684 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.826 -13.833 1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.942 -12.905 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.659 -15.213 3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.056 -13.975 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.249 -14.623 3.198 1.00 0.00 H new ATOM 1422 N SER A 88 -7.458 -11.557 1.763 1.00 0.00 N ATOM 1423 CA SER A 88 -8.214 -12.533 2.550 1.00 0.00 C ATOM 1424 C SER A 88 -7.546 -13.905 2.517 1.00 0.00 C ATOM 1425 O SER A 88 -6.515 -14.092 1.873 1.00 0.00 O ATOM 1426 CB SER A 88 -9.645 -12.656 2.024 1.00 0.00 C ATOM 1427 OG SER A 88 -10.370 -13.638 2.743 1.00 0.00 O ATOM 0 H SER A 88 -7.762 -11.472 0.793 1.00 0.00 H new ATOM 0 HA SER A 88 -8.235 -12.176 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.150 -11.694 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.626 -12.916 0.966 1.00 0.00 H new ATOM 0 HG SER A 88 -11.282 -13.696 2.389 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.148 -14.865 3.211 1.00 0.00 N ATOM 1434 CA GLY A 89 -7.602 -16.209 3.243 1.00 0.00 C ATOM 1435 C GLY A 89 -8.100 -17.008 4.431 1.00 0.00 C ATOM 1436 O GLY A 89 -9.255 -17.481 4.385 1.00 0.00 O ATOM 1437 OXT GLY A 89 -7.334 -17.164 5.406 1.00 0.00 O ATOM 0 H GLY A 89 -9.003 -14.737 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.868 -16.728 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.514 -16.155 3.275 1.00 0.00 H new TER 1441 GLY A 89