USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 600 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 51 LYS NZ :NH3+ 170:sc= -0.436 (180deg=-0.0479) USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.081 USER MOD Set 1.3: A 72 ASN :FLIP amide:sc= -2.33 F(o=-3.8!,f=-2.7) USER MOD Set 2.1: A 50 THR OG1 : rot -73:sc= 1.18 USER MOD Set 2.2: A 54 ASN : amide:sc= -1.94! C(o=-0.76!,f=-2.7!) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.11) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 138:sc= 0.706 USER MOD Single : A 15 SER OG : rot 45:sc= 0.248 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 1.3 (180deg=1.03) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 112:sc= 0.217 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 27 LYS NZ :NH3+ -102:sc= -0.0187 (180deg=-0.414) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.237) USER MOD Single : A 38 SER OG : rot -92:sc= 1.13 USER MOD Single : A 39 ASN : amide:sc= -0.0445 K(o=-0.044,f=-1.4!) USER MOD Single : A 42 SER OG : rot 88:sc= 1.25 USER MOD Single : A 45 TYR OH : rot 130:sc= 0.939 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc=-0.00974 (180deg=-0.147) USER MOD Single : A 59 ASN : amide:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 61 MET CE :methyl -131:sc= -0.288 (180deg=-3.02!) USER MOD Single : A 62 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.12) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0948 USER MOD Single : A 69 CYS SG : rot 36:sc= 0.0701 USER MOD Single : A 70 THR OG1 : rot -36:sc= 0.628 USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -0.0985 (180deg=-0.543) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.604 -0.748 6.977 1.00 0.00 N ATOM 39 CA LYS A 3 -18.537 -0.754 5.987 1.00 0.00 C ATOM 40 C LYS A 3 -17.287 -1.421 6.548 1.00 0.00 C ATOM 41 O LYS A 3 -17.101 -1.485 7.765 1.00 0.00 O ATOM 42 CB LYS A 3 -18.247 0.675 5.540 1.00 0.00 C ATOM 43 CG LYS A 3 -19.503 1.428 5.141 1.00 0.00 C ATOM 44 CD LYS A 3 -19.203 2.850 4.715 1.00 0.00 C ATOM 45 CE LYS A 3 -20.485 3.622 4.459 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.222 4.950 3.853 1.00 0.00 N ATOM 0 HA LYS A 3 -18.856 -1.332 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.748 1.210 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.557 0.655 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.997 0.902 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.200 1.440 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.621 3.350 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.592 2.842 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.131 3.044 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.024 3.752 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.109 5.491 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.533 5.467 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.840 4.824 2.894 1.00 0.00 H new ATOM 60 N ASP A 4 -16.434 -1.914 5.666 1.00 0.00 N ATOM 61 CA ASP A 4 -15.297 -2.722 6.086 1.00 0.00 C ATOM 62 C ASP A 4 -13.990 -2.114 5.589 1.00 0.00 C ATOM 63 O ASP A 4 -13.981 -1.323 4.648 1.00 0.00 O ATOM 64 CB ASP A 4 -15.461 -4.155 5.570 1.00 0.00 C ATOM 65 CG ASP A 4 -14.446 -5.110 6.161 1.00 0.00 C ATOM 66 OD1 ASP A 4 -14.293 -5.125 7.403 1.00 0.00 O ATOM 67 OD2 ASP A 4 -13.795 -5.849 5.395 1.00 0.00 O ATOM 0 H ASP A 4 -16.505 -1.771 4.659 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.262 -2.743 7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.465 -4.508 5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.367 -4.158 4.484 1.00 0.00 H new ATOM 72 N ILE A 5 -12.889 -2.467 6.235 1.00 0.00 N ATOM 73 CA ILE A 5 -11.585 -1.943 5.861 1.00 0.00 C ATOM 74 C ILE A 5 -11.070 -2.627 4.600 1.00 0.00 C ATOM 75 O ILE A 5 -10.770 -3.824 4.608 1.00 0.00 O ATOM 76 CB ILE A 5 -10.554 -2.120 6.998 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.005 -1.369 8.256 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.181 -1.636 6.554 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.127 0.130 8.063 1.00 0.00 C ATOM 0 H ILE A 5 -12.873 -3.115 7.022 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.710 -0.877 5.670 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.486 -3.181 7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.969 -1.764 8.578 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.295 -1.566 9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.468 -1.768 7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.855 -2.212 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.236 -0.580 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.450 0.592 8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.160 0.539 7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.859 0.338 7.283 1.00 0.00 H new ATOM 91 N PHE A 6 -10.985 -1.862 3.522 1.00 0.00 N ATOM 92 CA PHE A 6 -10.452 -2.350 2.260 1.00 0.00 C ATOM 93 C PHE A 6 -8.987 -2.724 2.430 1.00 0.00 C ATOM 94 O PHE A 6 -8.124 -1.856 2.533 1.00 0.00 O ATOM 95 CB PHE A 6 -10.609 -1.273 1.177 1.00 0.00 C ATOM 96 CG PHE A 6 -10.065 -1.657 -0.170 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.821 -2.416 -1.046 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.800 -1.249 -0.561 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.326 -2.762 -2.287 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.300 -1.594 -1.799 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.063 -2.352 -2.664 1.00 0.00 C ATOM 0 H PHE A 6 -11.283 -0.887 3.498 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.006 -3.237 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.667 -1.033 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.108 -0.364 1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.809 -2.741 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.199 -0.654 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.926 -3.353 -2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.312 -1.271 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.673 -2.624 -3.634 1.00 0.00 H new ATOM 111 N THR A 7 -8.715 -4.012 2.500 1.00 0.00 N ATOM 112 CA THR A 7 -7.355 -4.483 2.662 1.00 0.00 C ATOM 113 C THR A 7 -6.931 -5.285 1.430 1.00 0.00 C ATOM 114 O THR A 7 -7.587 -6.263 1.062 1.00 0.00 O ATOM 115 CB THR A 7 -7.229 -5.365 3.920 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.876 -4.719 5.026 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.769 -5.626 4.264 1.00 0.00 C ATOM 0 H THR A 7 -9.417 -4.750 2.447 1.00 0.00 H new ATOM 0 HA THR A 7 -6.703 -3.617 2.776 1.00 0.00 H new ATOM 0 HB THR A 7 -7.709 -6.322 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.797 -5.281 5.825 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.711 -6.251 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.285 -6.136 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.264 -4.678 4.452 1.00 0.00 H new ATOM 125 N SER A 8 -5.853 -4.869 0.781 1.00 0.00 N ATOM 126 CA SER A 8 -5.393 -5.533 -0.435 1.00 0.00 C ATOM 127 C SER A 8 -3.876 -5.449 -0.548 1.00 0.00 C ATOM 128 O SER A 8 -3.199 -5.065 0.401 1.00 0.00 O ATOM 129 CB SER A 8 -6.057 -4.898 -1.660 1.00 0.00 C ATOM 130 OG SER A 8 -7.468 -5.021 -1.589 1.00 0.00 O ATOM 0 H SER A 8 -5.280 -4.077 1.073 1.00 0.00 H new ATOM 0 HA SER A 8 -5.674 -6.585 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.782 -3.845 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.691 -5.378 -2.567 1.00 0.00 H new ATOM 0 HG SER A 8 -7.884 -4.181 -1.874 1.00 0.00 H new ATOM 136 N VAL A 9 -3.345 -5.826 -1.702 1.00 0.00 N ATOM 137 CA VAL A 9 -1.914 -5.750 -1.951 1.00 0.00 C ATOM 138 C VAL A 9 -1.649 -4.897 -3.187 1.00 0.00 C ATOM 139 O VAL A 9 -2.299 -5.075 -4.217 1.00 0.00 O ATOM 140 CB VAL A 9 -1.296 -7.153 -2.153 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.211 -7.060 -2.332 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.639 -8.072 -0.986 1.00 0.00 C ATOM 0 H VAL A 9 -3.888 -6.190 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.448 -5.296 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.723 -7.579 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.623 -8.059 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.437 -6.448 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.655 -6.605 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.193 -9.053 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.248 -7.647 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.721 -8.174 -0.909 1.00 0.00 H new ATOM 152 N VAL A 10 -0.718 -3.964 -3.076 1.00 0.00 N ATOM 153 CA VAL A 10 -0.384 -3.089 -4.187 1.00 0.00 C ATOM 154 C VAL A 10 1.012 -3.425 -4.717 1.00 0.00 C ATOM 155 O VAL A 10 1.840 -3.988 -3.995 1.00 0.00 O ATOM 156 CB VAL A 10 -0.463 -1.600 -3.774 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.678 -1.222 -2.846 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.493 -0.691 -4.992 1.00 0.00 C ATOM 0 H VAL A 10 -0.180 -3.793 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.114 -3.252 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.397 -1.462 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.593 -0.170 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.632 -1.834 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.629 -1.391 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.549 0.349 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.413 -0.840 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.365 -0.928 -5.602 1.00 0.00 H new ATOM 168 N ARG A 11 1.258 -3.095 -5.976 1.00 0.00 N ATOM 169 CA ARG A 11 2.520 -3.413 -6.623 1.00 0.00 C ATOM 170 C ARG A 11 3.512 -2.262 -6.464 1.00 0.00 C ATOM 171 O ARG A 11 3.193 -1.104 -6.743 1.00 0.00 O ATOM 172 CB ARG A 11 2.262 -3.750 -8.095 1.00 0.00 C ATOM 173 CG ARG A 11 1.396 -4.994 -8.252 1.00 0.00 C ATOM 174 CD ARG A 11 0.739 -5.086 -9.620 1.00 0.00 C ATOM 175 NE ARG A 11 1.697 -5.294 -10.702 1.00 0.00 N ATOM 176 CZ ARG A 11 1.882 -6.461 -11.316 1.00 0.00 C ATOM 177 NH1 ARG A 11 1.298 -7.564 -10.856 1.00 0.00 N ATOM 178 NH2 ARG A 11 2.678 -6.525 -12.371 1.00 0.00 N ATOM 0 H ARG A 11 0.593 -2.603 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 11 2.969 -4.284 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.774 -2.905 -8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.214 -3.904 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.009 -5.881 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.624 -4.993 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.020 -5.905 -9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.179 -4.171 -9.810 1.00 0.00 H new ATOM 0 HE ARG A 11 2.258 -4.498 -11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.704 -7.519 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.444 -8.455 -11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.145 -5.684 -12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.824 -7.416 -12.846 1.00 0.00 H new ATOM 192 N VAL A 12 4.714 -2.596 -6.010 1.00 0.00 N ATOM 193 CA VAL A 12 5.695 -1.602 -5.594 1.00 0.00 C ATOM 194 C VAL A 12 6.700 -1.313 -6.702 1.00 0.00 C ATOM 195 O VAL A 12 7.063 -2.193 -7.484 1.00 0.00 O ATOM 196 CB VAL A 12 6.450 -2.070 -4.331 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.105 -0.909 -3.603 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.510 -2.791 -3.400 1.00 0.00 C ATOM 0 H VAL A 12 5.035 -3.560 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 12 5.148 -0.686 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 12 7.238 -2.751 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.626 -1.280 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.818 -0.420 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.342 -0.193 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.054 -3.116 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.704 -2.119 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.091 -3.660 -3.907 1.00 0.00 H new ATOM 208 N ARG A 13 7.150 -0.074 -6.742 1.00 0.00 N ATOM 209 CA ARG A 13 8.064 0.399 -7.767 1.00 0.00 C ATOM 210 C ARG A 13 9.367 0.896 -7.138 1.00 0.00 C ATOM 211 O ARG A 13 9.378 1.360 -6.003 1.00 0.00 O ATOM 212 CB ARG A 13 7.361 1.516 -8.546 1.00 0.00 C ATOM 213 CG ARG A 13 8.243 2.326 -9.478 1.00 0.00 C ATOM 214 CD ARG A 13 7.430 3.412 -10.165 1.00 0.00 C ATOM 215 NE ARG A 13 8.255 4.318 -10.960 1.00 0.00 N ATOM 216 CZ ARG A 13 7.774 5.367 -11.629 1.00 0.00 C ATOM 217 NH1 ARG A 13 6.469 5.627 -11.632 1.00 0.00 N ATOM 218 NH2 ARG A 13 8.599 6.147 -12.314 1.00 0.00 N ATOM 0 H ARG A 13 6.891 0.639 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 13 8.327 -0.413 -8.445 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.555 1.073 -9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.898 2.196 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.061 2.776 -8.915 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.692 1.671 -10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.683 2.948 -10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.889 3.986 -9.412 1.00 0.00 H new ATOM 0 HE ARG A 13 9.258 4.138 -11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.827 5.022 -11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.110 6.431 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.599 5.944 -12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.234 6.950 -12.827 1.00 0.00 H new ATOM 232 N GLY A 14 10.474 0.728 -7.845 1.00 0.00 N ATOM 233 CA GLY A 14 11.714 1.357 -7.432 1.00 0.00 C ATOM 234 C GLY A 14 12.641 0.407 -6.709 1.00 0.00 C ATOM 235 O GLY A 14 12.415 -0.804 -6.698 1.00 0.00 O ATOM 0 H GLY A 14 10.538 0.169 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.223 1.757 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.488 2.202 -6.782 1.00 0.00 H new ATOM 239 N SER A 15 13.681 0.955 -6.098 1.00 0.00 N ATOM 240 CA SER A 15 14.665 0.153 -5.392 1.00 0.00 C ATOM 241 C SER A 15 14.113 -0.336 -4.056 1.00 0.00 C ATOM 242 O SER A 15 14.069 0.408 -3.074 1.00 0.00 O ATOM 243 CB SER A 15 15.944 0.966 -5.189 1.00 0.00 C ATOM 244 OG SER A 15 15.654 2.238 -4.632 1.00 0.00 O ATOM 0 H SER A 15 13.864 1.958 -6.078 1.00 0.00 H new ATOM 0 HA SER A 15 14.898 -0.726 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.624 0.424 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.455 1.091 -6.143 1.00 0.00 H new ATOM 0 HG SER A 15 15.014 2.135 -3.897 1.00 0.00 H new ATOM 250 N LYS A 16 13.671 -1.585 -4.044 1.00 0.00 N ATOM 251 CA LYS A 16 13.127 -2.205 -2.849 1.00 0.00 C ATOM 252 C LYS A 16 13.213 -3.724 -2.957 1.00 0.00 C ATOM 253 O LYS A 16 13.501 -4.259 -4.028 1.00 0.00 O ATOM 254 CB LYS A 16 11.677 -1.745 -2.599 1.00 0.00 C ATOM 255 CG LYS A 16 10.790 -1.667 -3.843 1.00 0.00 C ATOM 256 CD LYS A 16 10.604 -3.031 -4.496 1.00 0.00 C ATOM 257 CE LYS A 16 9.670 -2.985 -5.692 1.00 0.00 C ATOM 258 NZ LYS A 16 10.373 -2.569 -6.935 1.00 0.00 N ATOM 0 H LYS A 16 13.680 -2.195 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 16 13.723 -1.889 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.215 -2.428 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.702 -0.762 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.817 -1.260 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.233 -0.978 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.574 -3.413 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.210 -3.731 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.223 -3.968 -5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.854 -2.291 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.673 -2.322 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.972 -1.742 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.967 -3.352 -7.277 1.00 0.00 H new ATOM 272 N LYS A 17 12.966 -4.409 -1.851 1.00 0.00 N ATOM 273 CA LYS A 17 13.033 -5.865 -1.822 1.00 0.00 C ATOM 274 C LYS A 17 11.723 -6.496 -2.285 1.00 0.00 C ATOM 275 O LYS A 17 11.707 -7.313 -3.206 1.00 0.00 O ATOM 276 CB LYS A 17 13.376 -6.348 -0.409 1.00 0.00 C ATOM 277 CG LYS A 17 14.804 -6.042 0.010 1.00 0.00 C ATOM 278 CD LYS A 17 15.796 -6.896 -0.765 1.00 0.00 C ATOM 279 CE LYS A 17 17.234 -6.526 -0.440 1.00 0.00 C ATOM 280 NZ LYS A 17 18.202 -7.446 -1.090 1.00 0.00 N ATOM 0 H LYS A 17 12.717 -3.981 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 17 13.817 -6.176 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.691 -5.884 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.213 -7.424 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.018 -4.987 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.920 -6.224 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.630 -7.948 -0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.622 -6.775 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.429 -5.504 -0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.380 -6.549 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.171 -7.160 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.033 -8.418 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.080 -7.405 -2.122 1.00 0.00 H new ATOM 294 N TYR A 18 10.625 -6.105 -1.653 1.00 0.00 N ATOM 295 CA TYR A 18 9.327 -6.700 -1.938 1.00 0.00 C ATOM 296 C TYR A 18 8.649 -5.991 -3.104 1.00 0.00 C ATOM 297 O TYR A 18 8.503 -4.772 -3.095 1.00 0.00 O ATOM 298 CB TYR A 18 8.427 -6.636 -0.700 1.00 0.00 C ATOM 299 CG TYR A 18 9.036 -7.254 0.540 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.078 -8.633 0.708 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.564 -6.456 1.547 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.626 -9.198 1.845 1.00 0.00 C ATOM 303 CE2 TYR A 18 10.116 -7.014 2.684 1.00 0.00 C ATOM 304 CZ TYR A 18 10.145 -8.383 2.829 1.00 0.00 C ATOM 305 OH TYR A 18 10.683 -8.937 3.967 1.00 0.00 O ATOM 0 H TYR A 18 10.607 -5.377 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 18 9.488 -7.743 -2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.187 -5.593 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.487 -7.142 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.676 -9.274 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.543 -5.382 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.647 -10.271 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.523 -6.379 3.456 1.00 0.00 H new ATOM 0 HH TYR A 18 11.005 -8.224 4.557 1.00 0.00 H new ATOM 315 N ASN A 19 8.234 -6.764 -4.101 1.00 0.00 N ATOM 316 CA ASN A 19 7.578 -6.207 -5.283 1.00 0.00 C ATOM 317 C ASN A 19 6.112 -5.902 -5.006 1.00 0.00 C ATOM 318 O ASN A 19 5.460 -5.207 -5.782 1.00 0.00 O ATOM 319 CB ASN A 19 7.690 -7.167 -6.470 1.00 0.00 C ATOM 320 CG ASN A 19 9.101 -7.259 -7.013 1.00 0.00 C ATOM 321 OD1 ASN A 19 9.899 -8.082 -6.568 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.416 -6.418 -7.988 1.00 0.00 N ATOM 0 H ASN A 19 8.339 -7.778 -4.116 1.00 0.00 H new ATOM 0 HA ASN A 19 8.086 -5.275 -5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.357 -8.159 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.020 -6.837 -7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.350 -6.439 -8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.724 -5.750 -8.329 1.00 0.00 H new ATOM 329 N VAL A 20 5.600 -6.425 -3.902 1.00 0.00 N ATOM 330 CA VAL A 20 4.218 -6.188 -3.506 1.00 0.00 C ATOM 331 C VAL A 20 4.137 -5.869 -2.017 1.00 0.00 C ATOM 332 O VAL A 20 4.846 -6.466 -1.206 1.00 0.00 O ATOM 333 CB VAL A 20 3.308 -7.397 -3.825 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.115 -7.541 -5.328 1.00 0.00 C ATOM 335 CG2 VAL A 20 3.881 -8.680 -3.239 1.00 0.00 C ATOM 0 H VAL A 20 6.124 -7.020 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 20 3.862 -5.335 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 20 2.336 -7.217 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.472 -8.397 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.652 -6.637 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.083 -7.692 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.222 -9.515 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.868 -8.864 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.963 -8.581 -2.157 1.00 0.00 H new ATOM 345 N VAL A 21 3.293 -4.908 -1.666 1.00 0.00 N ATOM 346 CA VAL A 21 3.122 -4.509 -0.274 1.00 0.00 C ATOM 347 C VAL A 21 1.636 -4.369 0.068 1.00 0.00 C ATOM 348 O VAL A 21 0.859 -3.810 -0.710 1.00 0.00 O ATOM 349 CB VAL A 21 3.869 -3.186 0.045 1.00 0.00 C ATOM 350 CG1 VAL A 21 5.375 -3.390 -0.010 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.443 -2.070 -0.896 1.00 0.00 C ATOM 0 H VAL A 21 2.715 -4.389 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 21 3.558 -5.295 0.343 1.00 0.00 H new ATOM 0 HB VAL A 21 3.599 -2.889 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.878 -2.450 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.667 -4.143 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.661 -3.723 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.984 -1.157 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.667 -2.355 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.372 -1.896 -0.793 1.00 0.00 H new ATOM 361 N PRO A 22 1.216 -4.912 1.220 1.00 0.00 N ATOM 362 CA PRO A 22 -0.182 -4.856 1.658 1.00 0.00 C ATOM 363 C PRO A 22 -0.622 -3.449 2.067 1.00 0.00 C ATOM 364 O PRO A 22 0.071 -2.754 2.818 1.00 0.00 O ATOM 365 CB PRO A 22 -0.216 -5.801 2.863 1.00 0.00 C ATOM 366 CG PRO A 22 1.180 -5.803 3.381 1.00 0.00 C ATOM 367 CD PRO A 22 2.065 -5.645 2.176 1.00 0.00 C ATOM 0 HA PRO A 22 -0.865 -5.137 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.919 -5.453 3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.532 -6.803 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.335 -4.989 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.400 -6.731 3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.972 -5.090 2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.377 -6.610 1.778 1.00 0.00 H new ATOM 375 N VAL A 23 -1.775 -3.043 1.562 1.00 0.00 N ATOM 376 CA VAL A 23 -2.352 -1.752 1.881 1.00 0.00 C ATOM 377 C VAL A 23 -3.733 -1.930 2.495 1.00 0.00 C ATOM 378 O VAL A 23 -4.321 -3.011 2.426 1.00 0.00 O ATOM 379 CB VAL A 23 -2.466 -0.847 0.635 1.00 0.00 C ATOM 380 CG1 VAL A 23 -1.088 -0.495 0.103 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.304 -1.517 -0.444 1.00 0.00 C ATOM 0 H VAL A 23 -2.336 -3.601 0.919 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.684 -1.269 2.595 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.966 0.076 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.189 0.143 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.525 0.033 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.560 -1.408 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.371 -0.861 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.838 -2.458 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.305 -1.712 -0.059 1.00 0.00 H new ATOM 391 N LYS A 24 -4.238 -0.868 3.092 1.00 0.00 N ATOM 392 CA LYS A 24 -5.545 -0.884 3.722 1.00 0.00 C ATOM 393 C LYS A 24 -6.193 0.490 3.617 1.00 0.00 C ATOM 394 O LYS A 24 -5.592 1.429 3.093 1.00 0.00 O ATOM 395 CB LYS A 24 -5.436 -1.322 5.187 1.00 0.00 C ATOM 396 CG LYS A 24 -4.464 -0.497 6.018 1.00 0.00 C ATOM 397 CD LYS A 24 -4.380 -1.011 7.448 1.00 0.00 C ATOM 398 CE LYS A 24 -3.935 -2.466 7.495 1.00 0.00 C ATOM 399 NZ LYS A 24 -3.895 -2.999 8.883 1.00 0.00 N ATOM 0 H LYS A 24 -3.756 0.029 3.154 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.174 -1.606 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.424 -1.267 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.127 -2.367 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.475 -0.527 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.781 0.546 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.680 -0.397 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.353 -0.912 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.615 -3.071 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.946 -2.556 7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.587 -3.992 8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.227 -2.439 9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.843 -2.939 9.306 1.00 0.00 H new ATOM 413 N SER A 25 -7.401 0.609 4.135 1.00 0.00 N ATOM 414 CA SER A 25 -8.149 1.854 4.032 1.00 0.00 C ATOM 415 C SER A 25 -8.244 2.552 5.385 1.00 0.00 C ATOM 416 O SER A 25 -8.575 1.933 6.397 1.00 0.00 O ATOM 417 CB SER A 25 -9.553 1.571 3.495 1.00 0.00 C ATOM 418 OG SER A 25 -10.255 0.683 4.345 1.00 0.00 O ATOM 0 H SER A 25 -7.887 -0.138 4.631 1.00 0.00 H new ATOM 0 HA SER A 25 -7.620 2.514 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.106 2.506 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.484 1.143 2.495 1.00 0.00 H new ATOM 0 HG SER A 25 -10.996 1.159 4.774 1.00 0.00 H new ATOM 424 N ASN A 26 -7.927 3.848 5.381 1.00 0.00 N ATOM 425 CA ASN A 26 -7.964 4.684 6.583 1.00 0.00 C ATOM 426 C ASN A 26 -9.322 4.602 7.282 1.00 0.00 C ATOM 427 O ASN A 26 -9.396 4.519 8.508 1.00 0.00 O ATOM 428 CB ASN A 26 -7.648 6.139 6.205 1.00 0.00 C ATOM 429 CG ASN A 26 -7.678 7.093 7.388 1.00 0.00 C ATOM 430 OD1 ASN A 26 -7.384 6.718 8.522 1.00 0.00 O ATOM 431 ND2 ASN A 26 -8.010 8.348 7.122 1.00 0.00 N ATOM 0 H ASN A 26 -7.636 4.349 4.542 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.212 4.315 7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.663 6.180 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.367 6.476 5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.028 9.040 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.248 8.622 6.169 1.00 0.00 H new ATOM 438 N LYS A 27 -10.393 4.611 6.499 1.00 0.00 N ATOM 439 CA LYS A 27 -11.734 4.506 7.053 1.00 0.00 C ATOM 440 C LYS A 27 -12.478 3.363 6.380 1.00 0.00 C ATOM 441 O LYS A 27 -12.182 3.023 5.233 1.00 0.00 O ATOM 442 CB LYS A 27 -12.516 5.821 6.890 1.00 0.00 C ATOM 443 CG LYS A 27 -11.882 7.008 7.599 1.00 0.00 C ATOM 444 CD LYS A 27 -12.867 8.155 7.821 1.00 0.00 C ATOM 445 CE LYS A 27 -13.426 8.720 6.519 1.00 0.00 C ATOM 446 NZ LYS A 27 -14.672 8.031 6.084 1.00 0.00 N ATOM 0 H LYS A 27 -10.359 4.690 5.483 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.647 4.305 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.605 6.050 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.527 5.680 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.486 6.683 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.037 7.368 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.691 7.804 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.369 8.952 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.629 9.783 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.673 8.630 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.450 7.361 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.083 7.516 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.355 8.735 5.738 1.00 0.00 H new ATOM 460 N PRO A 28 -13.430 2.741 7.093 1.00 0.00 N ATOM 461 CA PRO A 28 -14.232 1.638 6.554 1.00 0.00 C ATOM 462 C PRO A 28 -14.988 2.045 5.295 1.00 0.00 C ATOM 463 O PRO A 28 -15.717 3.038 5.284 1.00 0.00 O ATOM 464 CB PRO A 28 -15.207 1.303 7.688 1.00 0.00 C ATOM 465 CG PRO A 28 -15.178 2.485 8.595 1.00 0.00 C ATOM 466 CD PRO A 28 -13.795 3.052 8.481 1.00 0.00 C ATOM 0 HA PRO A 28 -13.613 0.791 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.212 1.127 7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.903 0.397 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.928 3.221 8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.399 2.195 9.622 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.781 4.125 8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.109 2.592 9.192 1.00 0.00 H new ATOM 474 N VAL A 29 -14.810 1.272 4.242 1.00 0.00 N ATOM 475 CA VAL A 29 -15.393 1.585 2.950 1.00 0.00 C ATOM 476 C VAL A 29 -16.331 0.457 2.508 1.00 0.00 C ATOM 477 O VAL A 29 -16.225 -0.671 2.993 1.00 0.00 O ATOM 478 CB VAL A 29 -14.278 1.824 1.903 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.433 0.575 1.718 1.00 0.00 C ATOM 480 CG2 VAL A 29 -14.845 2.294 0.573 1.00 0.00 C ATOM 0 H VAL A 29 -14.260 0.413 4.256 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.978 2.501 3.036 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.638 2.619 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.656 0.767 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.970 0.305 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.065 -0.245 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.031 2.450 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.527 1.539 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.385 3.230 0.718 1.00 0.00 H new ATOM 490 N GLU A 30 -17.271 0.767 1.626 1.00 0.00 N ATOM 491 CA GLU A 30 -18.228 -0.222 1.159 1.00 0.00 C ATOM 492 C GLU A 30 -17.554 -1.194 0.198 1.00 0.00 C ATOM 493 O GLU A 30 -16.725 -0.795 -0.623 1.00 0.00 O ATOM 494 CB GLU A 30 -19.415 0.450 0.463 1.00 0.00 C ATOM 495 CG GLU A 30 -20.034 1.598 1.247 1.00 0.00 C ATOM 496 CD GLU A 30 -19.362 2.933 0.981 1.00 0.00 C ATOM 497 OE1 GLU A 30 -18.286 2.952 0.349 1.00 0.00 O ATOM 498 OE2 GLU A 30 -19.921 3.974 1.387 1.00 0.00 O ATOM 0 H GLU A 30 -17.390 1.695 1.221 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.598 -0.769 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.088 0.823 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.182 -0.301 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -21.092 1.674 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.976 1.375 2.312 1.00 0.00 H new ATOM 505 N ILE A 31 -17.923 -2.469 0.287 1.00 0.00 N ATOM 506 CA ILE A 31 -17.337 -3.498 -0.569 1.00 0.00 C ATOM 507 C ILE A 31 -17.791 -3.334 -2.018 1.00 0.00 C ATOM 508 O ILE A 31 -17.281 -3.996 -2.920 1.00 0.00 O ATOM 509 CB ILE A 31 -17.687 -4.921 -0.083 1.00 0.00 C ATOM 510 CG1 ILE A 31 -19.207 -5.103 0.000 1.00 0.00 C ATOM 511 CG2 ILE A 31 -17.040 -5.187 1.269 1.00 0.00 C ATOM 512 CD1 ILE A 31 -19.636 -6.511 0.352 1.00 0.00 C ATOM 0 H ILE A 31 -18.624 -2.815 0.942 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.256 -3.369 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.298 -5.641 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.606 -4.415 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.649 -4.827 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.294 -6.193 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.958 -5.097 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.405 -4.462 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.724 -6.561 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.269 -7.203 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.225 -6.785 1.324 1.00 0.00 H new ATOM 524 N SER A 32 -18.737 -2.434 -2.237 1.00 0.00 N ATOM 525 CA SER A 32 -19.205 -2.130 -3.577 1.00 0.00 C ATOM 526 C SER A 32 -18.091 -1.474 -4.395 1.00 0.00 C ATOM 527 O SER A 32 -18.066 -1.566 -5.622 1.00 0.00 O ATOM 528 CB SER A 32 -20.422 -1.211 -3.492 1.00 0.00 C ATOM 529 OG SER A 32 -20.177 -0.144 -2.590 1.00 0.00 O ATOM 0 H SER A 32 -19.196 -1.900 -1.499 1.00 0.00 H new ATOM 0 HA SER A 32 -19.491 -3.055 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.655 -0.814 -4.480 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.292 -1.780 -3.164 1.00 0.00 H new ATOM 0 HG SER A 32 -20.965 0.437 -2.548 1.00 0.00 H new ATOM 535 N LYS A 33 -17.161 -0.823 -3.700 1.00 0.00 N ATOM 536 CA LYS A 33 -16.048 -0.144 -4.353 1.00 0.00 C ATOM 537 C LYS A 33 -14.788 -1.004 -4.316 1.00 0.00 C ATOM 538 O LYS A 33 -13.732 -0.587 -4.789 1.00 0.00 O ATOM 539 CB LYS A 33 -15.771 1.199 -3.674 1.00 0.00 C ATOM 540 CG LYS A 33 -16.959 2.145 -3.670 1.00 0.00 C ATOM 541 CD LYS A 33 -16.621 3.452 -2.971 1.00 0.00 C ATOM 542 CE LYS A 33 -17.833 4.364 -2.867 1.00 0.00 C ATOM 543 NZ LYS A 33 -18.946 3.717 -2.125 1.00 0.00 N ATOM 0 H LYS A 33 -17.158 -0.752 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.325 0.028 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.461 1.017 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.935 1.684 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.269 2.348 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.803 1.670 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.237 3.242 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.828 3.962 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.550 5.289 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.171 4.635 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.612 4.444 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.442 3.053 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.564 3.200 -1.308 1.00 0.00 H new ATOM 557 N TRP A 34 -14.913 -2.209 -3.764 1.00 0.00 N ATOM 558 CA TRP A 34 -13.773 -3.110 -3.601 1.00 0.00 C ATOM 559 C TRP A 34 -13.086 -3.368 -4.939 1.00 0.00 C ATOM 560 O TRP A 34 -11.876 -3.180 -5.074 1.00 0.00 O ATOM 561 CB TRP A 34 -14.229 -4.439 -2.984 1.00 0.00 C ATOM 562 CG TRP A 34 -13.105 -5.392 -2.692 1.00 0.00 C ATOM 563 CD1 TRP A 34 -12.474 -6.217 -3.581 1.00 0.00 C ATOM 564 CD2 TRP A 34 -12.491 -5.630 -1.419 1.00 0.00 C ATOM 565 NE1 TRP A 34 -11.495 -6.937 -2.941 1.00 0.00 N ATOM 566 CE2 TRP A 34 -11.487 -6.597 -1.614 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.688 -5.112 -0.135 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -10.688 -7.061 -0.573 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.893 -5.573 0.897 1.00 0.00 C ATOM 570 CH2 TRP A 34 -10.902 -6.537 0.672 1.00 0.00 C ATOM 0 H TRP A 34 -15.796 -2.586 -3.420 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.058 -2.632 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.767 -4.233 -2.059 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.934 -4.920 -3.662 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.711 -6.292 -4.632 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.874 -7.615 -3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -13.447 -4.366 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.927 -7.808 -0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -12.038 -5.183 1.894 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.294 -6.873 1.499 1.00 0.00 H new ATOM 581 N ILE A 35 -13.868 -3.783 -5.925 1.00 0.00 N ATOM 582 CA ILE A 35 -13.326 -4.131 -7.233 1.00 0.00 C ATOM 583 C ILE A 35 -12.807 -2.901 -7.975 1.00 0.00 C ATOM 584 O ILE A 35 -11.896 -3.002 -8.792 1.00 0.00 O ATOM 585 CB ILE A 35 -14.371 -4.855 -8.106 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.650 -4.019 -8.228 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.676 -6.231 -7.525 1.00 0.00 C ATOM 588 CD1 ILE A 35 -16.696 -4.634 -9.134 1.00 0.00 C ATOM 0 H ILE A 35 -14.880 -3.887 -5.846 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.491 -4.807 -7.051 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.959 -4.984 -9.107 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.078 -3.880 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.392 -3.029 -8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.415 -6.734 -8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.762 -6.824 -7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.069 -6.120 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.572 -3.986 -9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.286 -4.748 -10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.984 -5.611 -8.747 1.00 0.00 H new ATOM 600 N ASP A 36 -13.363 -1.739 -7.666 1.00 0.00 N ATOM 601 CA ASP A 36 -12.971 -0.513 -8.348 1.00 0.00 C ATOM 602 C ASP A 36 -11.647 0.007 -7.800 1.00 0.00 C ATOM 603 O ASP A 36 -10.736 0.345 -8.559 1.00 0.00 O ATOM 604 CB ASP A 36 -14.059 0.552 -8.204 1.00 0.00 C ATOM 605 CG ASP A 36 -13.751 1.796 -9.011 1.00 0.00 C ATOM 606 OD1 ASP A 36 -13.912 1.759 -10.253 1.00 0.00 O ATOM 607 OD2 ASP A 36 -13.348 2.811 -8.414 1.00 0.00 O ATOM 0 H ASP A 36 -14.082 -1.618 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.842 -0.738 -9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.015 0.139 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.166 0.820 -7.153 1.00 0.00 H new ATOM 612 N PHE A 37 -11.540 0.045 -6.474 1.00 0.00 N ATOM 613 CA PHE A 37 -10.319 0.494 -5.812 1.00 0.00 C ATOM 614 C PHE A 37 -9.144 -0.403 -6.180 1.00 0.00 C ATOM 615 O PHE A 37 -8.038 0.077 -6.434 1.00 0.00 O ATOM 616 CB PHE A 37 -10.499 0.506 -4.289 1.00 0.00 C ATOM 617 CG PHE A 37 -11.314 1.656 -3.757 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.098 2.436 -4.595 1.00 0.00 C ATOM 619 CD2 PHE A 37 -11.290 1.954 -2.403 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.839 3.488 -4.091 1.00 0.00 C ATOM 621 CE2 PHE A 37 -12.029 3.004 -1.896 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.805 3.771 -2.740 1.00 0.00 C ATOM 0 H PHE A 37 -12.286 -0.231 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.111 1.508 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.973 -0.428 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.515 0.530 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.129 2.219 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.685 1.357 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.444 4.089 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.000 3.225 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.385 4.592 -2.345 1.00 0.00 H new ATOM 632 N SER A 38 -9.390 -1.706 -6.223 1.00 0.00 N ATOM 633 CA SER A 38 -8.343 -2.661 -6.546 1.00 0.00 C ATOM 634 C SER A 38 -7.883 -2.503 -7.996 1.00 0.00 C ATOM 635 O SER A 38 -6.698 -2.657 -8.289 1.00 0.00 O ATOM 636 CB SER A 38 -8.817 -4.088 -6.271 1.00 0.00 C ATOM 637 OG SER A 38 -10.128 -4.293 -6.765 1.00 0.00 O ATOM 0 H SER A 38 -10.303 -2.123 -6.039 1.00 0.00 H new ATOM 0 HA SER A 38 -7.486 -2.458 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.134 -4.798 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.795 -4.282 -5.199 1.00 0.00 H new ATOM 0 HG SER A 38 -10.778 -4.095 -6.059 1.00 0.00 H new ATOM 643 N ASN A 39 -8.817 -2.186 -8.893 1.00 0.00 N ATOM 644 CA ASN A 39 -8.476 -1.895 -10.288 1.00 0.00 C ATOM 645 C ASN A 39 -7.464 -0.762 -10.364 1.00 0.00 C ATOM 646 O ASN A 39 -6.472 -0.845 -11.092 1.00 0.00 O ATOM 647 CB ASN A 39 -9.722 -1.518 -11.099 1.00 0.00 C ATOM 648 CG ASN A 39 -10.528 -2.722 -11.543 1.00 0.00 C ATOM 649 OD1 ASN A 39 -9.985 -3.804 -11.763 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.833 -2.540 -11.693 1.00 0.00 N ATOM 0 H ASN A 39 -9.813 -2.124 -8.681 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.042 -2.800 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.356 -0.865 -10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.418 -0.948 -11.977 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.424 -3.313 -12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.246 -1.627 -11.501 1.00 0.00 H new ATOM 657 N VAL A 40 -7.715 0.291 -9.596 1.00 0.00 N ATOM 658 CA VAL A 40 -6.820 1.437 -9.548 1.00 0.00 C ATOM 659 C VAL A 40 -5.459 1.035 -8.982 1.00 0.00 C ATOM 660 O VAL A 40 -4.423 1.344 -9.564 1.00 0.00 O ATOM 661 CB VAL A 40 -7.414 2.583 -8.695 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.477 3.783 -8.674 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.788 2.986 -9.215 1.00 0.00 C ATOM 0 H VAL A 40 -8.536 0.374 -8.996 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.695 1.794 -10.570 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.527 2.220 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.915 4.576 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.518 3.488 -8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.326 4.144 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.187 3.793 -8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.701 3.325 -10.247 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.460 2.129 -9.169 1.00 0.00 H new ATOM 673 N LEU A 41 -5.472 0.318 -7.863 1.00 0.00 N ATOM 674 CA LEU A 41 -4.236 -0.096 -7.198 1.00 0.00 C ATOM 675 C LEU A 41 -3.416 -1.048 -8.068 1.00 0.00 C ATOM 676 O LEU A 41 -2.192 -1.082 -7.976 1.00 0.00 O ATOM 677 CB LEU A 41 -4.545 -0.760 -5.855 1.00 0.00 C ATOM 678 CG LEU A 41 -5.195 0.150 -4.811 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.458 -0.622 -3.530 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.315 1.359 -4.533 1.00 0.00 C ATOM 0 H LEU A 41 -6.324 0.010 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.644 0.803 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.203 -1.611 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.617 -1.155 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.148 0.504 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.921 0.038 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.126 -1.457 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.516 -1.001 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.794 1.994 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.347 1.026 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.172 1.924 -5.454 1.00 0.00 H new ATOM 692 N SER A 42 -4.088 -1.807 -8.922 1.00 0.00 N ATOM 693 CA SER A 42 -3.404 -2.754 -9.798 1.00 0.00 C ATOM 694 C SER A 42 -2.680 -2.028 -10.930 1.00 0.00 C ATOM 695 O SER A 42 -1.915 -2.633 -11.682 1.00 0.00 O ATOM 696 CB SER A 42 -4.405 -3.761 -10.368 1.00 0.00 C ATOM 697 OG SER A 42 -5.062 -4.464 -9.327 1.00 0.00 O ATOM 0 H SER A 42 -5.102 -1.788 -9.029 1.00 0.00 H new ATOM 0 HA SER A 42 -2.659 -3.289 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.140 -3.241 -10.982 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.888 -4.466 -11.019 1.00 0.00 H new ATOM 0 HG SER A 42 -5.859 -3.967 -9.049 1.00 0.00 H new ATOM 703 N ARG A 43 -2.931 -0.730 -11.043 1.00 0.00 N ATOM 704 CA ARG A 43 -2.287 0.096 -12.053 1.00 0.00 C ATOM 705 C ARG A 43 -1.550 1.254 -11.394 1.00 0.00 C ATOM 706 O ARG A 43 -1.023 2.140 -12.069 1.00 0.00 O ATOM 707 CB ARG A 43 -3.329 0.626 -13.038 1.00 0.00 C ATOM 708 CG ARG A 43 -4.041 -0.475 -13.800 1.00 0.00 C ATOM 709 CD ARG A 43 -5.174 0.064 -14.651 1.00 0.00 C ATOM 710 NE ARG A 43 -5.810 -0.999 -15.423 1.00 0.00 N ATOM 711 CZ ARG A 43 -7.118 -1.241 -15.426 1.00 0.00 C ATOM 712 NH1 ARG A 43 -7.939 -0.498 -14.695 1.00 0.00 N ATOM 713 NH2 ARG A 43 -7.603 -2.226 -16.171 1.00 0.00 N ATOM 0 H ARG A 43 -3.582 -0.224 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.565 -0.513 -12.597 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.065 1.219 -12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.842 1.295 -13.748 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.326 -0.996 -14.436 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.434 -1.208 -13.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.914 0.545 -14.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.792 0.829 -15.327 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.213 -1.595 -15.997 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.568 0.264 -14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.941 -0.688 -14.701 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.974 -2.794 -16.738 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.605 -2.415 -16.176 1.00 0.00 H new ATOM 727 N LEU A 44 -1.512 1.231 -10.070 1.00 0.00 N ATOM 728 CA LEU A 44 -0.875 2.284 -9.302 1.00 0.00 C ATOM 729 C LEU A 44 0.364 1.741 -8.611 1.00 0.00 C ATOM 730 O LEU A 44 0.275 1.076 -7.581 1.00 0.00 O ATOM 731 CB LEU A 44 -1.848 2.855 -8.267 1.00 0.00 C ATOM 732 CG LEU A 44 -1.310 4.016 -7.431 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.112 5.251 -8.293 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.252 4.314 -6.281 1.00 0.00 C ATOM 0 H LEU A 44 -1.919 0.487 -9.504 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.583 3.085 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.748 3.188 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.147 2.052 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.341 3.729 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.729 6.066 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.400 5.030 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.065 5.545 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.858 5.143 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.233 4.582 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.344 3.431 -5.648 1.00 0.00 H new ATOM 746 N TYR A 45 1.516 2.002 -9.195 1.00 0.00 N ATOM 747 CA TYR A 45 2.769 1.524 -8.645 1.00 0.00 C ATOM 748 C TYR A 45 3.338 2.529 -7.655 1.00 0.00 C ATOM 749 O TYR A 45 3.786 3.613 -8.039 1.00 0.00 O ATOM 750 CB TYR A 45 3.779 1.259 -9.762 1.00 0.00 C ATOM 751 CG TYR A 45 3.551 -0.039 -10.501 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.412 -0.237 -11.275 1.00 0.00 C ATOM 753 CD2 TYR A 45 4.477 -1.071 -10.421 1.00 0.00 C ATOM 754 CE1 TYR A 45 2.206 -1.426 -11.946 1.00 0.00 C ATOM 755 CE2 TYR A 45 4.280 -2.261 -11.091 1.00 0.00 C ATOM 756 CZ TYR A 45 3.143 -2.435 -11.849 1.00 0.00 C ATOM 757 OH TYR A 45 2.943 -3.623 -12.514 1.00 0.00 O ATOM 0 H TYR A 45 1.611 2.544 -10.054 1.00 0.00 H new ATOM 0 HA TYR A 45 2.574 0.589 -8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.741 2.083 -10.475 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.782 1.252 -9.336 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.678 0.551 -11.352 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.367 -0.940 -9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.317 -1.566 -12.543 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.013 -3.051 -11.022 1.00 0.00 H new ATOM 0 HH TYR A 45 3.748 -3.851 -13.025 1.00 0.00 H new ATOM 767 N VAL A 46 3.308 2.170 -6.382 1.00 0.00 N ATOM 768 CA VAL A 46 3.875 3.010 -5.343 1.00 0.00 C ATOM 769 C VAL A 46 5.360 2.706 -5.201 1.00 0.00 C ATOM 770 O VAL A 46 5.753 1.569 -4.956 1.00 0.00 O ATOM 771 CB VAL A 46 3.148 2.823 -3.988 1.00 0.00 C ATOM 772 CG1 VAL A 46 3.126 1.359 -3.565 1.00 0.00 C ATOM 773 CG2 VAL A 46 3.787 3.685 -2.907 1.00 0.00 C ATOM 0 H VAL A 46 2.896 1.300 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 46 3.741 4.052 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 46 2.116 3.146 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.609 1.264 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.606 0.770 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.148 0.995 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.260 3.537 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.833 3.401 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.727 4.734 -3.196 1.00 0.00 H new ATOM 783 N GLY A 47 6.191 3.711 -5.398 1.00 0.00 N ATOM 784 CA GLY A 47 7.612 3.471 -5.392 1.00 0.00 C ATOM 785 C GLY A 47 8.352 4.262 -4.345 1.00 0.00 C ATOM 786 O GLY A 47 9.433 4.787 -4.603 1.00 0.00 O ATOM 0 H GLY A 47 5.911 4.678 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.792 2.409 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.018 3.715 -6.374 1.00 0.00 H new ATOM 790 N VAL A 48 7.772 4.352 -3.166 1.00 0.00 N ATOM 791 CA VAL A 48 8.428 5.013 -2.049 1.00 0.00 C ATOM 792 C VAL A 48 8.494 4.075 -0.847 1.00 0.00 C ATOM 793 O VAL A 48 7.586 4.062 -0.014 1.00 0.00 O ATOM 794 CB VAL A 48 7.712 6.324 -1.640 1.00 0.00 C ATOM 795 CG1 VAL A 48 8.490 7.051 -0.547 1.00 0.00 C ATOM 796 CG2 VAL A 48 7.512 7.233 -2.843 1.00 0.00 C ATOM 0 H VAL A 48 6.848 3.977 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 48 9.435 5.271 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 48 6.731 6.059 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.967 7.968 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.572 6.409 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.487 7.296 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.007 8.147 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.481 7.484 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.904 6.721 -3.589 1.00 0.00 H new ATOM 806 N PRO A 49 9.545 3.234 -0.773 1.00 0.00 N ATOM 807 CA PRO A 49 9.773 2.349 0.375 1.00 0.00 C ATOM 808 C PRO A 49 9.715 3.104 1.697 1.00 0.00 C ATOM 809 O PRO A 49 10.513 4.013 1.944 1.00 0.00 O ATOM 810 CB PRO A 49 11.178 1.804 0.125 1.00 0.00 C ATOM 811 CG PRO A 49 11.334 1.846 -1.353 1.00 0.00 C ATOM 812 CD PRO A 49 10.576 3.059 -1.813 1.00 0.00 C ATOM 0 HA PRO A 49 9.013 1.572 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.934 2.412 0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.284 0.789 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.385 1.913 -1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.939 0.941 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.223 3.933 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.132 2.906 -2.797 1.00 0.00 H new ATOM 820 N THR A 50 8.766 2.729 2.537 1.00 0.00 N ATOM 821 CA THR A 50 8.504 3.449 3.768 1.00 0.00 C ATOM 822 C THR A 50 8.265 2.511 4.945 1.00 0.00 C ATOM 823 O THR A 50 8.467 1.301 4.846 1.00 0.00 O ATOM 824 CB THR A 50 7.266 4.332 3.603 1.00 0.00 C ATOM 825 OG1 THR A 50 6.489 3.868 2.491 1.00 0.00 O ATOM 826 CG2 THR A 50 7.643 5.792 3.406 1.00 0.00 C ATOM 0 H THR A 50 8.160 1.923 2.386 1.00 0.00 H new ATOM 0 HA THR A 50 9.388 4.051 3.976 1.00 0.00 H new ATOM 0 HB THR A 50 6.675 4.264 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.945 4.097 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.738 6.389 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.203 6.143 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.258 5.891 2.512 1.00 0.00 H new ATOM 834 N LYS A 51 7.838 3.091 6.059 1.00 0.00 N ATOM 835 CA LYS A 51 7.458 2.331 7.237 1.00 0.00 C ATOM 836 C LYS A 51 5.947 2.106 7.226 1.00 0.00 C ATOM 837 O LYS A 51 5.275 2.432 6.245 1.00 0.00 O ATOM 838 CB LYS A 51 7.866 3.092 8.503 1.00 0.00 C ATOM 839 CG LYS A 51 9.341 3.478 8.564 1.00 0.00 C ATOM 840 CD LYS A 51 10.197 2.421 9.256 1.00 0.00 C ATOM 841 CE LYS A 51 10.327 1.146 8.438 1.00 0.00 C ATOM 842 NZ LYS A 51 11.194 0.143 9.113 1.00 0.00 N ATOM 0 H LYS A 51 7.746 4.101 6.169 1.00 0.00 H new ATOM 0 HA LYS A 51 7.967 1.367 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.264 3.997 8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.628 2.479 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.713 3.636 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.443 4.426 9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.190 2.830 9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.760 2.183 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.338 0.718 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.741 1.383 7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.124 -0.767 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.181 0.471 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.884 0.023 10.098 1.00 0.00 H new ATOM 856 N SER A 52 5.411 1.562 8.306 1.00 0.00 N ATOM 857 CA SER A 52 3.979 1.319 8.401 1.00 0.00 C ATOM 858 C SER A 52 3.206 2.624 8.582 1.00 0.00 C ATOM 859 O SER A 52 3.616 3.502 9.344 1.00 0.00 O ATOM 860 CB SER A 52 3.691 0.357 9.554 1.00 0.00 C ATOM 861 OG SER A 52 4.617 0.540 10.617 1.00 0.00 O ATOM 0 H SER A 52 5.944 1.280 9.129 1.00 0.00 H new ATOM 0 HA SER A 52 3.644 0.866 7.468 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.677 0.516 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.743 -0.671 9.195 1.00 0.00 H new ATOM 0 HG SER A 52 4.410 -0.086 11.342 1.00 0.00 H new ATOM 867 N GLY A 53 2.100 2.756 7.860 1.00 0.00 N ATOM 868 CA GLY A 53 1.270 3.930 7.994 1.00 0.00 C ATOM 869 C GLY A 53 1.600 4.981 6.961 1.00 0.00 C ATOM 870 O GLY A 53 1.457 6.179 7.218 1.00 0.00 O ATOM 0 H GLY A 53 1.766 2.069 7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.222 3.645 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.396 4.351 8.992 1.00 0.00 H new ATOM 874 N ASN A 54 2.057 4.542 5.799 1.00 0.00 N ATOM 875 CA ASN A 54 2.358 5.468 4.711 1.00 0.00 C ATOM 876 C ASN A 54 1.144 5.606 3.803 1.00 0.00 C ATOM 877 O ASN A 54 0.516 4.610 3.442 1.00 0.00 O ATOM 878 CB ASN A 54 3.587 5.015 3.900 1.00 0.00 C ATOM 879 CG ASN A 54 3.396 3.679 3.199 1.00 0.00 C ATOM 880 OD1 ASN A 54 2.852 3.615 2.098 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.867 2.604 3.818 1.00 0.00 N ATOM 0 H ASN A 54 2.228 3.560 5.583 1.00 0.00 H new ATOM 0 HA ASN A 54 2.596 6.438 5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.821 5.776 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.447 4.946 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.784 1.686 3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.312 2.695 4.731 1.00 0.00 H new ATOM 888 N VAL A 55 0.793 6.836 3.454 1.00 0.00 N ATOM 889 CA VAL A 55 -0.382 7.075 2.628 1.00 0.00 C ATOM 890 C VAL A 55 -0.017 7.042 1.152 1.00 0.00 C ATOM 891 O VAL A 55 0.605 7.968 0.632 1.00 0.00 O ATOM 892 CB VAL A 55 -1.062 8.424 2.950 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.332 8.586 2.132 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.374 8.537 4.432 1.00 0.00 C ATOM 0 H VAL A 55 1.300 7.678 3.727 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.088 6.276 2.854 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.369 9.223 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.799 9.542 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.087 8.557 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.022 7.776 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.852 9.496 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.045 7.729 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.449 8.467 5.005 1.00 0.00 H new ATOM 904 N VAL A 56 -0.399 5.967 0.486 1.00 0.00 N ATOM 905 CA VAL A 56 -0.156 5.821 -0.941 1.00 0.00 C ATOM 906 C VAL A 56 -1.109 6.712 -1.730 1.00 0.00 C ATOM 907 O VAL A 56 -0.697 7.456 -2.622 1.00 0.00 O ATOM 908 CB VAL A 56 -0.333 4.355 -1.397 1.00 0.00 C ATOM 909 CG1 VAL A 56 -0.027 4.206 -2.882 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.547 3.427 -0.572 1.00 0.00 C ATOM 0 H VAL A 56 -0.882 5.176 0.913 1.00 0.00 H new ATOM 0 HA VAL A 56 0.874 6.121 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.374 4.074 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.159 3.165 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.705 4.836 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.002 4.510 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.408 2.400 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.592 3.711 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.272 3.505 0.480 1.00 0.00 H new ATOM 920 N CYS A 57 -2.384 6.644 -1.384 1.00 0.00 N ATOM 921 CA CYS A 57 -3.401 7.418 -2.073 1.00 0.00 C ATOM 922 C CYS A 57 -4.109 8.346 -1.095 1.00 0.00 C ATOM 923 O CYS A 57 -4.981 7.910 -0.339 1.00 0.00 O ATOM 924 CB CYS A 57 -4.418 6.487 -2.729 1.00 0.00 C ATOM 925 SG CYS A 57 -3.699 4.981 -3.415 1.00 0.00 S ATOM 0 H CYS A 57 -2.739 6.059 -0.628 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.917 8.017 -2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.173 6.214 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.930 7.028 -3.525 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.637 4.255 -3.947 1.00 0.00 H new ATOM 931 N LYS A 58 -3.713 9.612 -1.089 1.00 0.00 N ATOM 932 CA LYS A 58 -4.348 10.604 -0.233 1.00 0.00 C ATOM 933 C LYS A 58 -5.692 10.997 -0.831 1.00 0.00 C ATOM 934 O LYS A 58 -5.738 11.774 -1.790 1.00 0.00 O ATOM 935 CB LYS A 58 -3.462 11.843 -0.074 1.00 0.00 C ATOM 936 CG LYS A 58 -2.047 11.535 0.393 1.00 0.00 C ATOM 937 CD LYS A 58 -1.263 12.805 0.670 1.00 0.00 C ATOM 938 CE LYS A 58 0.188 12.510 1.023 1.00 0.00 C ATOM 939 NZ LYS A 58 0.944 11.961 -0.133 1.00 0.00 N ATOM 0 H LYS A 58 -2.955 9.976 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.497 10.169 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.413 12.367 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.929 12.522 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.085 10.926 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.532 10.947 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.299 13.452 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.732 13.350 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.670 13.425 1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.223 11.799 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.961 11.965 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.634 10.986 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.767 12.547 -0.974 1.00 0.00 H new ATOM 953 N ASN A 59 -6.772 10.464 -0.260 1.00 0.00 N ATOM 954 CA ASN A 59 -8.111 10.585 -0.845 1.00 0.00 C ATOM 955 C ASN A 59 -8.085 10.063 -2.275 1.00 0.00 C ATOM 956 O ASN A 59 -8.050 10.849 -3.224 1.00 0.00 O ATOM 957 CB ASN A 59 -8.610 12.040 -0.836 1.00 0.00 C ATOM 958 CG ASN A 59 -8.697 12.644 0.553 1.00 0.00 C ATOM 959 OD1 ASN A 59 -7.707 13.147 1.085 1.00 0.00 O ATOM 960 ND2 ASN A 59 -9.886 12.632 1.135 1.00 0.00 N ATOM 0 H ASN A 59 -6.746 9.940 0.615 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.798 9.995 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.942 12.648 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.594 12.081 -1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.006 13.050 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.682 12.205 0.661 1.00 0.00 H new ATOM 967 N ILE A 60 -8.092 8.735 -2.413 1.00 0.00 N ATOM 968 CA ILE A 60 -7.901 8.075 -3.709 1.00 0.00 C ATOM 969 C ILE A 60 -8.768 8.695 -4.812 1.00 0.00 C ATOM 970 O ILE A 60 -8.258 9.069 -5.865 1.00 0.00 O ATOM 971 CB ILE A 60 -8.151 6.544 -3.614 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.060 5.896 -5.002 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.493 6.238 -2.959 1.00 0.00 C ATOM 974 CD1 ILE A 60 -8.215 4.390 -4.986 1.00 0.00 C ATOM 0 H ILE A 60 -8.229 8.089 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.858 8.234 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.372 6.117 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.830 6.324 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.098 6.148 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.636 5.159 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.509 6.654 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.295 6.683 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.139 4.006 -6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.429 3.950 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.189 4.129 -4.571 1.00 0.00 H new ATOM 986 N MET A 61 -10.063 8.820 -4.563 1.00 0.00 N ATOM 987 CA MET A 61 -10.964 9.454 -5.519 1.00 0.00 C ATOM 988 C MET A 61 -12.008 10.290 -4.792 1.00 0.00 C ATOM 989 O MET A 61 -13.209 10.098 -4.975 1.00 0.00 O ATOM 990 CB MET A 61 -11.644 8.409 -6.412 1.00 0.00 C ATOM 991 CG MET A 61 -10.727 7.829 -7.480 1.00 0.00 C ATOM 992 SD MET A 61 -11.527 6.555 -8.474 1.00 0.00 S ATOM 993 CE MET A 61 -11.875 5.326 -7.220 1.00 0.00 C ATOM 0 H MET A 61 -10.515 8.492 -3.709 1.00 0.00 H new ATOM 0 HA MET A 61 -10.372 10.110 -6.157 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.018 7.598 -5.787 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.508 8.864 -6.896 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.385 8.632 -8.134 1.00 0.00 H new ATOM 0 HG3 MET A 61 -9.842 7.408 -7.003 1.00 0.00 H new ATOM 0 HE1 MET A 61 -11.536 4.349 -7.564 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.353 5.588 -6.299 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.948 5.292 -7.032 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.526 11.206 -3.947 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.394 12.118 -3.188 1.00 0.00 C ATOM 1005 C ASN A 62 -13.349 11.324 -2.288 1.00 0.00 C ATOM 1006 O ASN A 62 -14.436 11.779 -1.946 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.183 13.019 -4.154 1.00 0.00 C ATOM 1008 CG ASN A 62 -13.681 14.301 -3.507 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -14.776 14.351 -2.950 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -12.882 15.355 -3.590 1.00 0.00 N ATOM 0 H ASN A 62 -10.530 11.338 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.772 12.748 -2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.549 13.271 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.035 12.463 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.169 16.246 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.980 15.276 -4.060 1.00 0.00 H new ATOM 1017 N THR A 63 -12.907 10.142 -1.881 1.00 0.00 N ATOM 1018 CA THR A 63 -13.736 9.229 -1.103 1.00 0.00 C ATOM 1019 C THR A 63 -13.704 9.565 0.384 1.00 0.00 C ATOM 1020 O THR A 63 -14.589 9.172 1.144 1.00 0.00 O ATOM 1021 CB THR A 63 -13.255 7.781 -1.301 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.865 7.678 -0.949 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.440 7.345 -2.745 1.00 0.00 C ATOM 0 H THR A 63 -11.970 9.790 -2.079 1.00 0.00 H new ATOM 0 HA THR A 63 -14.761 9.336 -1.458 1.00 0.00 H new ATOM 0 HB THR A 63 -13.849 7.131 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.563 6.754 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.093 6.318 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.495 7.404 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.864 7.999 -3.399 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.677 10.294 0.793 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.487 10.582 2.201 1.00 0.00 C ATOM 1033 C GLY A 64 -11.671 9.502 2.879 1.00 0.00 C ATOM 1034 O GLY A 64 -11.436 9.543 4.084 1.00 0.00 O ATOM 0 H GLY A 64 -11.970 10.692 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.986 11.543 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.457 10.669 2.691 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.244 8.524 2.090 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.431 7.430 2.590 1.00 0.00 C ATOM 1040 C VAL A 65 -9.030 7.502 2.002 1.00 0.00 C ATOM 1041 O VAL A 65 -8.860 7.643 0.788 1.00 0.00 O ATOM 1042 CB VAL A 65 -11.058 6.056 2.250 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -10.125 4.915 2.629 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.394 5.890 2.952 1.00 0.00 C ATOM 0 H VAL A 65 -11.451 8.469 1.093 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.381 7.529 3.674 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.218 6.023 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.593 3.963 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.188 5.014 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.924 4.949 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.819 4.918 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.249 5.955 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.075 6.678 2.630 1.00 0.00 H new ATOM 1054 N ASP A 66 -8.039 7.429 2.873 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.653 7.380 2.448 1.00 0.00 C ATOM 1056 C ASP A 66 -6.203 5.935 2.391 1.00 0.00 C ATOM 1057 O ASP A 66 -6.483 5.156 3.303 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.756 8.163 3.407 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.191 9.603 3.550 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -5.988 10.390 2.601 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.743 9.954 4.615 1.00 0.00 O ATOM 0 H ASP A 66 -8.171 7.402 3.884 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.573 7.836 1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.767 7.683 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.727 8.130 3.048 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.534 5.571 1.317 1.00 0.00 N ATOM 1067 CA ILE A 67 -5.056 4.210 1.159 1.00 0.00 C ATOM 1068 C ILE A 67 -3.631 4.109 1.676 1.00 0.00 C ATOM 1069 O ILE A 67 -2.701 4.637 1.068 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.124 3.745 -0.313 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.563 3.845 -0.838 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.600 2.320 -0.458 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.573 3.053 -0.029 1.00 0.00 C ATOM 0 H ILE A 67 -5.309 6.195 0.542 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.706 3.554 1.738 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.489 4.401 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.863 4.893 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.587 3.497 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.658 2.016 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.563 2.278 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.204 1.647 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.565 3.176 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.300 1.998 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.581 3.416 0.999 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.472 3.452 2.813 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.184 3.386 3.483 1.00 0.00 C ATOM 1087 C ILE A 68 -1.579 1.995 3.403 1.00 0.00 C ATOM 1088 O ILE A 68 -2.289 0.993 3.485 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.290 3.791 4.970 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.395 2.993 5.671 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.538 5.283 5.101 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.517 3.289 7.151 1.00 0.00 C ATOM 0 H ILE A 68 -4.222 2.955 3.293 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.538 4.092 2.962 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.343 3.559 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.348 3.207 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.202 1.929 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.610 5.549 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.714 5.830 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.469 5.543 4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.319 2.687 7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.578 3.047 7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.742 4.346 7.293 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.271 1.937 3.238 1.00 0.00 N ATOM 1105 CA CYS A 69 0.441 0.680 3.318 1.00 0.00 C ATOM 1106 C CYS A 69 0.924 0.478 4.746 1.00 0.00 C ATOM 1107 O CYS A 69 1.323 1.431 5.420 1.00 0.00 O ATOM 1108 CB CYS A 69 1.619 0.643 2.344 1.00 0.00 C ATOM 1109 SG CYS A 69 2.536 -0.915 2.374 1.00 0.00 S ATOM 0 H CYS A 69 0.319 2.747 3.048 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.235 -0.128 3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.250 0.818 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.300 1.460 2.580 1.00 0.00 H new ATOM 0 HG CYS A 69 1.709 -1.902 2.557 1.00 0.00 H new ATOM 1115 N THR A 70 0.872 -0.754 5.214 1.00 0.00 N ATOM 1116 CA THR A 70 1.212 -1.039 6.594 1.00 0.00 C ATOM 1117 C THR A 70 2.482 -1.881 6.683 1.00 0.00 C ATOM 1118 O THR A 70 2.904 -2.276 7.770 1.00 0.00 O ATOM 1119 CB THR A 70 0.039 -1.756 7.302 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.316 -1.926 8.697 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.239 -3.112 6.667 1.00 0.00 C ATOM 0 H THR A 70 0.600 -1.568 4.663 1.00 0.00 H new ATOM 0 HA THR A 70 1.398 -0.091 7.099 1.00 0.00 H new ATOM 0 HB THR A 70 -0.845 -1.129 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.270 -2.114 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.068 -3.593 7.185 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.497 -2.976 5.617 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.649 -3.739 6.744 1.00 0.00 H new ATOM 1129 N LYS A 71 3.108 -2.127 5.545 1.00 0.00 N ATOM 1130 CA LYS A 71 4.317 -2.930 5.526 1.00 0.00 C ATOM 1131 C LYS A 71 5.537 -2.027 5.533 1.00 0.00 C ATOM 1132 O LYS A 71 5.543 -0.970 4.906 1.00 0.00 O ATOM 1133 CB LYS A 71 4.347 -3.854 4.307 1.00 0.00 C ATOM 1134 CG LYS A 71 5.475 -4.870 4.359 1.00 0.00 C ATOM 1135 CD LYS A 71 5.428 -5.840 3.193 1.00 0.00 C ATOM 1136 CE LYS A 71 6.426 -6.969 3.382 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.132 -7.773 4.600 1.00 0.00 N ATOM 0 H LYS A 71 2.804 -1.787 4.633 1.00 0.00 H new ATOM 0 HA LYS A 71 4.328 -3.554 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.395 -4.380 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.449 -3.252 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.432 -4.348 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.418 -5.426 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.423 -6.251 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.645 -5.310 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.410 -7.618 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.432 -6.556 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.580 -8.708 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.507 -7.284 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.103 -7.890 4.699 1.00 0.00 H new ATOM 1151 N ASN A 72 6.559 -2.441 6.260 1.00 0.00 N ATOM 1152 CA ASN A 72 7.777 -1.657 6.369 1.00 0.00 C ATOM 1153 C ASN A 72 8.783 -2.125 5.332 1.00 0.00 C ATOM 1154 O ASN A 72 9.276 -3.251 5.403 1.00 0.00 O ATOM 1155 CB ASN A 72 8.388 -1.766 7.776 1.00 0.00 C ATOM 1156 CG ASN A 72 7.503 -1.197 8.881 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.210 -1.479 8.835 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 7.992 -0.527 9.790 1.00 0.00 N flip ATOM 0 H ASN A 72 6.570 -3.316 6.784 1.00 0.00 H new ATOM 0 HA ASN A 72 7.525 -0.612 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.593 -2.815 7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.346 -1.245 7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.992 -0.328 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.397 -0.171 10.538 1.00 0.00 H new ATOM 1165 N LEU A 73 9.081 -1.272 4.360 1.00 0.00 N ATOM 1166 CA LEU A 73 9.983 -1.654 3.279 1.00 0.00 C ATOM 1167 C LEU A 73 11.435 -1.371 3.637 1.00 0.00 C ATOM 1168 O LEU A 73 11.783 -0.260 4.043 1.00 0.00 O ATOM 1169 CB LEU A 73 9.641 -0.935 1.969 1.00 0.00 C ATOM 1170 CG LEU A 73 8.352 -1.384 1.277 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.151 -0.626 1.813 1.00 0.00 C ATOM 1172 CD2 LEU A 73 8.471 -1.197 -0.225 1.00 0.00 C ATOM 0 H LEU A 73 8.717 -0.321 4.297 1.00 0.00 H new ATOM 0 HA LEU A 73 9.851 -2.727 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.568 0.134 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.470 -1.072 1.275 1.00 0.00 H new ATOM 0 HG LEU A 73 8.202 -2.443 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.249 -0.966 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.054 -0.809 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.287 0.441 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.548 -1.520 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.647 -0.145 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.303 -1.792 -0.601 1.00 0.00 H new ATOM 1184 N PRO A 74 12.301 -2.386 3.510 1.00 0.00 N ATOM 1185 CA PRO A 74 13.739 -2.218 3.641 1.00 0.00 C ATOM 1186 C PRO A 74 14.372 -1.823 2.307 1.00 0.00 C ATOM 1187 O PRO A 74 14.559 -2.658 1.419 1.00 0.00 O ATOM 1188 CB PRO A 74 14.206 -3.600 4.088 1.00 0.00 C ATOM 1189 CG PRO A 74 13.214 -4.558 3.510 1.00 0.00 C ATOM 1190 CD PRO A 74 11.939 -3.790 3.251 1.00 0.00 C ATOM 0 HA PRO A 74 14.018 -1.426 4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.213 -3.811 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.235 -3.673 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.594 -4.993 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.032 -5.383 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.592 -3.929 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.135 -4.121 3.908 1.00 0.00 H new