USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 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 62 ASN :FLIP amide:sc= -0.782 F(o=-2.2!,f=-0.78) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.4 K(o=-3.3,f=-6.8!) USER MOD Set 2.2: A 72 MET CE :methyl 166:sc= -1.91! (180deg=-0.861) USER MOD Set 3.1: A 58 TYR OH : rot -52:sc= 0.181 USER MOD Set 3.2: A 60 THR OG1 : rot 139:sc= 0.173 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.38 K(o=0.38,f=-0.22) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -171:sc= 0 (180deg=-0.125) USER MOD Single : A 28 ASN : amide:sc= -0.0208 K(o=-0.021,f=-0.77) USER MOD Single : A 33 ASN : amide:sc= -0.169 K(o=-0.17,f=-4.7!) USER MOD Single : A 35 GLN :FLIP amide:sc= -1.43 F(o=-2.3!,f=-1.4) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -54:sc= -1.18 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -134:sc= -1.63! (180deg=-2.63) USER MOD Single : A 68 SER OG : rot 42:sc= 1.21 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 148:sc= -5.18! (180deg=-6.57!) USER MOD Single : A 79 CYS SG : rot 47:sc= 0.242 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -39:sc= 0.126 USER MOD Single : A 93 THR OG1 : rot 62:sc= 0.0531 USER MOD Single : A 96 SER OG : rot 98:sc= 0.911 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-0.00228 K(o=-0.0023,f=-1.7) USER MOD Single : A 104 GLN : amide:sc= -2.5 K(o=-2.5,f=-5!) USER MOD Single : A 105 THR OG1 : rot 101:sc= 1.02 USER MOD Single : A 106 GLN : amide:sc= 1.16 K(o=1.2,f=-0.13) USER MOD Single : A 108 ASN : amide:sc= 1.09 K(o=1.1,f=-8.8!) USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.0516 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 117 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000306) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 119 CYS SG : rot 93:sc= -0.295 USER MOD Single : A 120 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.286 K(o=-0.29,f=-0.98) USER MOD Single : A 129 THR OG1 : rot -38:sc= 1.13 USER MOD Single : A 135 HIS :FLIP no HD1:sc= -2.7 F(o=-4!,f=-2.7) USER MOD Single : A 137 SER OG : rot 95:sc= 1.02 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.387 22.641 4.568 1.00 0.00 N ATOM 67 CA GLU A 8 -2.254 21.483 5.444 1.00 0.00 C ATOM 68 C GLU A 8 -2.352 20.184 4.650 1.00 0.00 C ATOM 69 O GLU A 8 -1.710 19.190 4.985 1.00 0.00 O ATOM 70 CB GLU A 8 -3.330 21.512 6.531 1.00 0.00 C ATOM 71 CG GLU A 8 -4.748 21.524 5.984 1.00 0.00 C ATOM 72 CD GLU A 8 -5.277 20.131 5.706 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.847 19.183 6.396 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.124 19.989 4.798 1.00 0.00 O ATOM 0 HA GLU A 8 -1.271 21.527 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.206 20.642 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.182 22.395 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.404 22.022 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.774 22.109 5.065 1.00 0.00 H new ATOM 81 N GLN A 9 -3.162 20.203 3.596 1.00 0.00 N ATOM 82 CA GLN A 9 -3.346 19.026 2.754 1.00 0.00 C ATOM 83 C GLN A 9 -2.003 18.474 2.289 1.00 0.00 C ATOM 84 O GLN A 9 -1.727 17.284 2.432 1.00 0.00 O ATOM 85 CB GLN A 9 -4.217 19.370 1.544 1.00 0.00 C ATOM 86 CG GLN A 9 -4.996 18.184 0.999 1.00 0.00 C ATOM 87 CD GLN A 9 -6.005 18.586 -0.059 1.00 0.00 C ATOM 88 OE1 GLN A 9 -5.674 18.694 -1.240 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.245 18.809 0.360 1.00 0.00 N ATOM 0 H GLN A 9 -3.701 21.019 3.305 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.846 18.260 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.918 20.157 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.584 19.772 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.300 17.460 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.514 17.686 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.475 18.708 1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.967 19.082 -0.307 1.00 0.00 H new ATOM 98 N ALA A 10 -1.171 19.348 1.730 1.00 0.00 N ATOM 99 CA ALA A 10 0.144 18.948 1.245 1.00 0.00 C ATOM 100 C ALA A 10 0.979 18.335 2.365 1.00 0.00 C ATOM 101 O ALA A 10 1.715 17.374 2.146 1.00 0.00 O ATOM 102 CB ALA A 10 0.867 20.140 0.637 1.00 0.00 C ATOM 0 H ALA A 10 -1.385 20.337 1.602 1.00 0.00 H new ATOM 0 HA ALA A 10 0.005 18.190 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.848 19.827 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.285 20.532 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.988 20.916 1.392 1.00 0.00 H new ATOM 108 N GLU A 11 0.860 18.899 3.563 1.00 0.00 N ATOM 109 CA GLU A 11 1.606 18.408 4.715 1.00 0.00 C ATOM 110 C GLU A 11 1.012 17.099 5.230 1.00 0.00 C ATOM 111 O GLU A 11 1.722 16.258 5.780 1.00 0.00 O ATOM 112 CB GLU A 11 1.608 19.453 5.832 1.00 0.00 C ATOM 113 CG GLU A 11 2.104 20.819 5.386 1.00 0.00 C ATOM 114 CD GLU A 11 1.981 21.868 6.474 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.651 21.723 7.518 1.00 0.00 O ATOM 116 OE2 GLU A 11 1.213 22.834 6.282 1.00 0.00 O ATOM 0 H GLU A 11 0.254 19.696 3.761 1.00 0.00 H new ATOM 0 HA GLU A 11 2.632 18.222 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.597 19.554 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.235 19.097 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.147 20.740 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.537 21.139 4.512 1.00 0.00 H new ATOM 123 N ALA A 12 -0.294 16.937 5.047 1.00 0.00 N ATOM 124 CA ALA A 12 -0.983 15.731 5.491 1.00 0.00 C ATOM 125 C ALA A 12 -0.447 14.497 4.774 1.00 0.00 C ATOM 126 O ALA A 12 -0.338 13.424 5.366 1.00 0.00 O ATOM 127 CB ALA A 12 -2.482 15.867 5.265 1.00 0.00 C ATOM 0 H ALA A 12 -0.896 17.625 4.595 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.797 15.607 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.984 14.960 5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.859 16.720 5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.678 16.018 4.203 1.00 0.00 H new ATOM 133 N GLN A 13 -0.115 14.657 3.497 1.00 0.00 N ATOM 134 CA GLN A 13 0.408 13.554 2.700 1.00 0.00 C ATOM 135 C GLN A 13 1.888 13.327 2.990 1.00 0.00 C ATOM 136 O GLN A 13 2.287 12.249 3.431 1.00 0.00 O ATOM 137 CB GLN A 13 0.205 13.833 1.210 1.00 0.00 C ATOM 138 CG GLN A 13 -1.187 13.481 0.710 1.00 0.00 C ATOM 139 CD GLN A 13 -1.375 13.795 -0.762 1.00 0.00 C ATOM 140 OE1 GLN A 13 -0.514 13.490 -1.588 1.00 0.00 O ATOM 141 NE2 GLN A 13 -2.504 14.407 -1.098 1.00 0.00 N ATOM 0 H GLN A 13 -0.199 15.539 2.992 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.139 12.651 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.395 14.889 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.941 13.267 0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.372 12.420 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.928 14.029 1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.190 14.641 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.685 14.643 -2.074 1.00 0.00 H new ATOM 150 N LEU A 14 2.698 14.350 2.739 1.00 0.00 N ATOM 151 CA LEU A 14 4.136 14.262 2.973 1.00 0.00 C ATOM 152 C LEU A 14 4.429 13.620 4.325 1.00 0.00 C ATOM 153 O LEU A 14 5.178 12.647 4.411 1.00 0.00 O ATOM 154 CB LEU A 14 4.768 15.654 2.908 1.00 0.00 C ATOM 155 CG LEU A 14 6.148 15.794 3.552 1.00 0.00 C ATOM 156 CD1 LEU A 14 7.154 14.886 2.863 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.614 17.242 3.505 1.00 0.00 C ATOM 0 H LEU A 14 2.384 15.249 2.374 1.00 0.00 H new ATOM 0 HA LEU A 14 4.569 13.636 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.846 15.947 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.092 16.361 3.388 1.00 0.00 H new ATOM 0 HG LEU A 14 6.072 15.491 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.130 15.000 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.828 13.850 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.227 15.157 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.598 17.323 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.673 17.572 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.906 17.870 4.046 1.00 0.00 H new ATOM 169 N ALA A 15 3.833 14.170 5.378 1.00 0.00 N ATOM 170 CA ALA A 15 4.028 13.648 6.725 1.00 0.00 C ATOM 171 C ALA A 15 4.050 12.123 6.725 1.00 0.00 C ATOM 172 O ALA A 15 5.027 11.508 7.149 1.00 0.00 O ATOM 173 CB ALA A 15 2.937 14.162 7.652 1.00 0.00 C ATOM 0 H ALA A 15 3.211 14.977 5.324 1.00 0.00 H new ATOM 0 HA ALA A 15 4.994 13.999 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.094 13.765 8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.970 15.251 7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.964 13.839 7.283 1.00 0.00 H new ATOM 179 N GLU A 16 2.966 11.520 6.247 1.00 0.00 N ATOM 180 CA GLU A 16 2.862 10.067 6.194 1.00 0.00 C ATOM 181 C GLU A 16 4.066 9.461 5.479 1.00 0.00 C ATOM 182 O GLU A 16 4.859 8.736 6.080 1.00 0.00 O ATOM 183 CB GLU A 16 1.571 9.651 5.485 1.00 0.00 C ATOM 184 CG GLU A 16 1.304 8.156 5.534 1.00 0.00 C ATOM 185 CD GLU A 16 -0.176 7.827 5.508 1.00 0.00 C ATOM 186 OE1 GLU A 16 -0.842 8.166 4.508 1.00 0.00 O ATOM 187 OE2 GLU A 16 -0.668 7.230 6.489 1.00 0.00 O ATOM 0 H GLU A 16 2.148 12.015 5.891 1.00 0.00 H new ATOM 0 HA GLU A 16 2.843 9.692 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.731 10.177 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.620 9.969 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.794 7.675 4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.749 7.741 6.438 1.00 0.00 H new ATOM 194 N LEU A 17 4.195 9.763 4.191 1.00 0.00 N ATOM 195 CA LEU A 17 5.301 9.248 3.392 1.00 0.00 C ATOM 196 C LEU A 17 6.595 9.231 4.200 1.00 0.00 C ATOM 197 O LEU A 17 7.264 8.203 4.299 1.00 0.00 O ATOM 198 CB LEU A 17 5.484 10.096 2.132 1.00 0.00 C ATOM 199 CG LEU A 17 4.336 10.056 1.124 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.541 11.102 0.039 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.211 8.668 0.512 1.00 0.00 C ATOM 0 H LEU A 17 3.547 10.362 3.678 1.00 0.00 H new ATOM 0 HA LEU A 17 5.062 8.225 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.639 11.132 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.395 9.771 1.629 1.00 0.00 H new ATOM 0 HG LEU A 17 3.409 10.284 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.714 11.058 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.579 12.093 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.477 10.905 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.389 8.658 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.139 8.411 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.016 7.940 1.299 1.00 0.00 H new ATOM 213 N ASP A 18 6.940 10.377 4.778 1.00 0.00 N ATOM 214 CA ASP A 18 8.152 10.494 5.581 1.00 0.00 C ATOM 215 C ASP A 18 8.188 9.425 6.669 1.00 0.00 C ATOM 216 O ASP A 18 9.240 8.854 6.959 1.00 0.00 O ATOM 217 CB ASP A 18 8.240 11.885 6.211 1.00 0.00 C ATOM 218 CG ASP A 18 9.587 12.143 6.857 1.00 0.00 C ATOM 219 OD1 ASP A 18 9.744 11.814 8.051 1.00 0.00 O ATOM 220 OD2 ASP A 18 10.483 12.676 6.169 1.00 0.00 O ATOM 0 H ASP A 18 6.398 11.238 4.705 1.00 0.00 H new ATOM 0 HA ASP A 18 9.009 10.347 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.057 12.640 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.455 11.992 6.959 1.00 0.00 H new ATOM 225 N LEU A 19 7.033 9.161 7.269 1.00 0.00 N ATOM 226 CA LEU A 19 6.932 8.161 8.327 1.00 0.00 C ATOM 227 C LEU A 19 7.127 6.755 7.769 1.00 0.00 C ATOM 228 O LEU A 19 8.015 6.021 8.203 1.00 0.00 O ATOM 229 CB LEU A 19 5.573 8.262 9.023 1.00 0.00 C ATOM 230 CG LEU A 19 5.129 7.029 9.810 1.00 0.00 C ATOM 231 CD1 LEU A 19 6.108 6.732 10.934 1.00 0.00 C ATOM 232 CD2 LEU A 19 3.724 7.225 10.361 1.00 0.00 C ATOM 0 H LEU A 19 6.153 9.625 7.042 1.00 0.00 H new ATOM 0 HA LEU A 19 7.721 8.356 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.598 9.113 9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.816 8.479 8.269 1.00 0.00 H new ATOM 0 HG LEU A 19 5.116 6.175 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.775 5.851 11.483 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.097 6.547 10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.155 7.585 11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.425 6.337 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.710 8.091 11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.029 7.387 9.537 1.00 0.00 H new ATOM 244 N LEU A 20 6.293 6.387 6.802 1.00 0.00 N ATOM 245 CA LEU A 20 6.375 5.070 6.181 1.00 0.00 C ATOM 246 C LEU A 20 7.828 4.662 5.958 1.00 0.00 C ATOM 247 O LEU A 20 8.274 3.624 6.446 1.00 0.00 O ATOM 248 CB LEU A 20 5.622 5.063 4.850 1.00 0.00 C ATOM 249 CG LEU A 20 4.103 4.903 4.940 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.449 5.279 3.619 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.740 3.478 5.330 1.00 0.00 C ATOM 0 H LEU A 20 5.552 6.982 6.431 1.00 0.00 H new ATOM 0 HA LEU A 20 5.914 4.349 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.839 5.995 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.017 4.254 4.236 1.00 0.00 H new ATOM 0 HG LEU A 20 3.730 5.576 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.369 5.159 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.682 6.317 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.827 4.631 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.656 3.382 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.125 2.786 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.179 3.243 6.300 1.00 0.00 H new ATOM 263 N ALA A 21 8.562 5.488 5.219 1.00 0.00 N ATOM 264 CA ALA A 21 9.965 5.216 4.935 1.00 0.00 C ATOM 265 C ALA A 21 10.649 4.556 6.127 1.00 0.00 C ATOM 266 O ALA A 21 11.444 3.630 5.965 1.00 0.00 O ATOM 267 CB ALA A 21 10.686 6.502 4.557 1.00 0.00 C ATOM 0 H ALA A 21 8.208 6.351 4.806 1.00 0.00 H new ATOM 0 HA ALA A 21 10.012 4.525 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.733 6.284 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.221 6.933 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.621 7.211 5.382 1.00 0.00 H new ATOM 273 N SER A 22 10.335 5.038 7.326 1.00 0.00 N ATOM 274 CA SER A 22 10.923 4.497 8.546 1.00 0.00 C ATOM 275 C SER A 22 10.297 3.151 8.900 1.00 0.00 C ATOM 276 O SER A 22 10.998 2.200 9.242 1.00 0.00 O ATOM 277 CB SER A 22 10.739 5.479 9.705 1.00 0.00 C ATOM 278 OG SER A 22 11.780 5.345 10.657 1.00 0.00 O ATOM 0 H SER A 22 9.677 5.802 7.478 1.00 0.00 H new ATOM 0 HA SER A 22 11.989 4.348 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.721 6.499 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.777 5.302 10.186 1.00 0.00 H new ATOM 0 HG SER A 22 11.640 5.984 11.386 1.00 0.00 H new ATOM 284 N MET A 23 8.973 3.081 8.814 1.00 0.00 N ATOM 285 CA MET A 23 8.252 1.852 9.124 1.00 0.00 C ATOM 286 C MET A 23 8.846 0.668 8.368 1.00 0.00 C ATOM 287 O MET A 23 8.733 -0.479 8.803 1.00 0.00 O ATOM 288 CB MET A 23 6.770 2.003 8.775 1.00 0.00 C ATOM 289 CG MET A 23 6.079 3.126 9.532 1.00 0.00 C ATOM 290 SD MET A 23 6.247 2.964 11.320 1.00 0.00 S ATOM 291 CE MET A 23 5.227 1.524 11.627 1.00 0.00 C ATOM 0 H MET A 23 8.378 3.860 8.532 1.00 0.00 H new ATOM 0 HA MET A 23 8.349 1.663 10.193 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.674 2.184 7.705 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.258 1.064 8.986 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.497 4.082 9.217 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.021 3.138 9.270 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.099 1.391 12.701 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.252 1.663 11.160 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.708 0.641 11.207 1.00 0.00 H new ATOM 301 N PHE A 24 9.478 0.952 7.234 1.00 0.00 N ATOM 302 CA PHE A 24 10.088 -0.090 6.417 1.00 0.00 C ATOM 303 C PHE A 24 11.578 0.175 6.221 1.00 0.00 C ATOM 304 O PHE A 24 12.011 0.701 5.195 1.00 0.00 O ATOM 305 CB PHE A 24 9.391 -0.176 5.057 1.00 0.00 C ATOM 306 CG PHE A 24 7.915 -0.434 5.156 1.00 0.00 C ATOM 307 CD1 PHE A 24 7.034 0.602 5.425 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.407 -1.711 4.980 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.675 0.367 5.517 1.00 0.00 C ATOM 310 CE2 PHE A 24 6.049 -1.952 5.070 1.00 0.00 C ATOM 311 CZ PHE A 24 5.182 -0.911 5.338 1.00 0.00 C ATOM 0 H PHE A 24 9.581 1.895 6.860 1.00 0.00 H new ATOM 0 HA PHE A 24 9.971 -1.040 6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.553 0.755 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.852 -0.971 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.414 1.603 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.081 -2.528 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.999 1.182 5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.667 -2.952 4.931 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.120 -1.096 5.408 1.00 0.00 H new ATOM 357 N ASN A 28 14.578 -3.982 0.518 1.00 0.00 N ATOM 358 CA ASN A 28 13.644 -4.402 -0.520 1.00 0.00 C ATOM 359 C ASN A 28 12.233 -4.542 0.043 1.00 0.00 C ATOM 360 O ASN A 28 11.545 -5.528 -0.219 1.00 0.00 O ATOM 361 CB ASN A 28 14.094 -5.729 -1.134 1.00 0.00 C ATOM 362 CG ASN A 28 15.255 -5.558 -2.094 1.00 0.00 C ATOM 363 OD1 ASN A 28 15.318 -4.583 -2.842 1.00 0.00 O ATOM 364 ND2 ASN A 28 16.182 -6.509 -2.077 1.00 0.00 N ATOM 0 HA ASN A 28 13.633 -3.636 -1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.383 -6.415 -0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.256 -6.186 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.987 -6.448 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.089 -7.300 -1.440 1.00 0.00 H new ATOM 371 N GLU A 29 11.808 -3.547 0.816 1.00 0.00 N ATOM 372 CA GLU A 29 10.479 -3.560 1.415 1.00 0.00 C ATOM 373 C GLU A 29 9.556 -2.567 0.714 1.00 0.00 C ATOM 374 O GLU A 29 8.388 -2.861 0.459 1.00 0.00 O ATOM 375 CB GLU A 29 10.565 -3.228 2.906 1.00 0.00 C ATOM 376 CG GLU A 29 10.785 -4.444 3.789 1.00 0.00 C ATOM 377 CD GLU A 29 9.550 -5.317 3.899 1.00 0.00 C ATOM 378 OE1 GLU A 29 8.430 -4.766 3.884 1.00 0.00 O ATOM 379 OE2 GLU A 29 9.705 -6.553 4.000 1.00 0.00 O ATOM 0 H GLU A 29 12.365 -2.723 1.042 1.00 0.00 H new ATOM 0 HA GLU A 29 10.064 -4.561 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.380 -2.521 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.646 -2.729 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.608 -5.035 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.083 -4.116 4.785 1.00 0.00 H new ATOM 386 N LEU A 30 10.089 -1.390 0.405 1.00 0.00 N ATOM 387 CA LEU A 30 9.315 -0.352 -0.266 1.00 0.00 C ATOM 388 C LEU A 30 10.176 0.405 -1.273 1.00 0.00 C ATOM 389 O LEU A 30 11.286 0.832 -0.956 1.00 0.00 O ATOM 390 CB LEU A 30 8.733 0.622 0.759 1.00 0.00 C ATOM 391 CG LEU A 30 8.426 2.030 0.249 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.275 2.642 1.032 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.663 2.912 0.339 1.00 0.00 C ATOM 0 H LEU A 30 11.054 -1.131 0.609 1.00 0.00 H new ATOM 0 HA LEU A 30 8.498 -0.834 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.813 0.193 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.432 0.703 1.591 1.00 0.00 H new ATOM 0 HG LEU A 30 8.130 1.960 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.071 3.644 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.386 2.022 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.542 2.699 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.426 3.910 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.990 2.975 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.461 2.483 -0.267 1.00 0.00 H new ATOM 405 N ILE A 31 9.655 0.569 -2.484 1.00 0.00 N ATOM 406 CA ILE A 31 10.375 1.278 -3.535 1.00 0.00 C ATOM 407 C ILE A 31 9.472 2.287 -4.235 1.00 0.00 C ATOM 408 O ILE A 31 8.364 1.956 -4.659 1.00 0.00 O ATOM 409 CB ILE A 31 10.946 0.303 -4.582 1.00 0.00 C ATOM 410 CG1 ILE A 31 12.014 -0.591 -3.949 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.522 1.071 -5.761 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.450 -1.827 -3.283 1.00 0.00 C ATOM 0 H ILE A 31 8.737 0.221 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 31 11.199 1.805 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 31 10.137 -0.331 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.725 -0.895 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.570 -0.012 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.922 0.369 -6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.737 1.669 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.321 1.726 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.264 -2.414 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.761 -1.532 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.918 -2.427 -4.021 1.00 0.00 H new ATOM 424 N VAL A 32 9.953 3.520 -4.355 1.00 0.00 N ATOM 425 CA VAL A 32 9.191 4.578 -5.008 1.00 0.00 C ATOM 426 C VAL A 32 9.791 4.932 -6.364 1.00 0.00 C ATOM 427 O VAL A 32 10.955 5.319 -6.457 1.00 0.00 O ATOM 428 CB VAL A 32 9.134 5.847 -4.137 1.00 0.00 C ATOM 429 CG1 VAL A 32 10.509 6.170 -3.573 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.589 7.019 -4.939 1.00 0.00 C ATOM 0 H VAL A 32 10.867 3.811 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 32 8.180 4.198 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 32 8.459 5.663 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.449 7.070 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.856 5.337 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.209 6.335 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.556 7.907 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.237 7.206 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.584 6.784 -5.289 1.00 0.00 H new ATOM 440 N ASN A 33 8.988 4.796 -7.414 1.00 0.00 N ATOM 441 CA ASN A 33 9.439 5.101 -8.767 1.00 0.00 C ATOM 442 C ASN A 33 9.297 6.590 -9.064 1.00 0.00 C ATOM 443 O ASN A 33 10.163 7.192 -9.700 1.00 0.00 O ATOM 444 CB ASN A 33 8.643 4.287 -9.789 1.00 0.00 C ATOM 445 CG ASN A 33 8.208 2.940 -9.243 1.00 0.00 C ATOM 446 OD1 ASN A 33 7.445 2.866 -8.279 1.00 0.00 O ATOM 447 ND2 ASN A 33 8.693 1.868 -9.858 1.00 0.00 N ATOM 0 H ASN A 33 8.021 4.476 -7.354 1.00 0.00 H new ATOM 0 HA ASN A 33 10.493 4.832 -8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.763 4.853 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.250 4.135 -10.681 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.436 0.935 -9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.322 1.977 -10.653 1.00 0.00 H new ATOM 454 N ASP A 34 8.200 7.179 -8.601 1.00 0.00 N ATOM 455 CA ASP A 34 7.945 8.598 -8.815 1.00 0.00 C ATOM 456 C ASP A 34 8.410 9.421 -7.618 1.00 0.00 C ATOM 457 O ASP A 34 7.604 9.825 -6.780 1.00 0.00 O ATOM 458 CB ASP A 34 6.456 8.838 -9.067 1.00 0.00 C ATOM 459 CG ASP A 34 6.198 10.118 -9.838 1.00 0.00 C ATOM 460 OD1 ASP A 34 7.060 10.504 -10.654 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.132 10.734 -9.625 1.00 0.00 O ATOM 0 H ASP A 34 7.473 6.695 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 34 8.510 8.915 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.044 7.994 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.931 8.880 -8.113 1.00 0.00 H new ATOM 466 N GLN A 35 9.715 9.664 -7.544 1.00 0.00 N ATOM 467 CA GLN A 35 10.286 10.437 -6.448 1.00 0.00 C ATOM 468 C GLN A 35 9.998 11.925 -6.622 1.00 0.00 C ATOM 469 O GLN A 35 9.726 12.633 -5.652 1.00 0.00 O ATOM 470 CB GLN A 35 11.796 10.204 -6.364 1.00 0.00 C ATOM 471 CG GLN A 35 12.419 10.708 -5.072 1.00 0.00 C ATOM 472 CD GLN A 35 11.487 10.572 -3.884 1.00 0.00 C ATOM 473 OE1 GLN A 35 10.948 9.374 -3.688 1.00 0.00 O flip ATOM 474 NE2 GLN A 35 11.254 11.533 -3.150 1.00 0.00 N flip ATOM 0 H GLN A 35 10.396 9.337 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 35 9.821 10.102 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.997 9.137 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.279 10.698 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.336 10.153 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.699 11.755 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.690 12.436 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.625 11.426 -2.354 1.00 0.00 H new ATOM 483 N LEU A 36 10.061 12.392 -7.864 1.00 0.00 N ATOM 484 CA LEU A 36 9.807 13.797 -8.167 1.00 0.00 C ATOM 485 C LEU A 36 8.519 14.273 -7.501 1.00 0.00 C ATOM 486 O LEU A 36 8.468 15.364 -6.935 1.00 0.00 O ATOM 487 CB LEU A 36 9.720 14.005 -9.680 1.00 0.00 C ATOM 488 CG LEU A 36 9.501 15.445 -10.147 1.00 0.00 C ATOM 489 CD1 LEU A 36 10.796 16.238 -10.059 1.00 0.00 C ATOM 490 CD2 LEU A 36 8.955 15.467 -11.567 1.00 0.00 C ATOM 0 H LEU A 36 10.286 11.819 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 36 10.636 14.384 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.640 13.634 -10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.906 13.391 -10.065 1.00 0.00 H new ATOM 0 HG LEU A 36 8.768 15.913 -9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.620 17.260 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.145 16.251 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.551 15.772 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.805 16.499 -11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.664 14.982 -12.237 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.004 14.936 -11.599 1.00 0.00 H new ATOM 502 N ALA A 37 7.482 13.445 -7.572 1.00 0.00 N ATOM 503 CA ALA A 37 6.196 13.780 -6.973 1.00 0.00 C ATOM 504 C ALA A 37 6.371 14.296 -5.549 1.00 0.00 C ATOM 505 O ALA A 37 5.901 15.382 -5.209 1.00 0.00 O ATOM 506 CB ALA A 37 5.276 12.568 -6.988 1.00 0.00 C ATOM 0 H ALA A 37 7.507 12.538 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 37 5.743 14.575 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.319 12.832 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.116 12.245 -8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.733 11.757 -6.420 1.00 0.00 H new ATOM 512 N VAL A 38 7.050 13.510 -4.719 1.00 0.00 N ATOM 513 CA VAL A 38 7.287 13.888 -3.331 1.00 0.00 C ATOM 514 C VAL A 38 7.983 15.242 -3.241 1.00 0.00 C ATOM 515 O VAL A 38 7.534 16.135 -2.525 1.00 0.00 O ATOM 516 CB VAL A 38 8.142 12.835 -2.601 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.311 13.207 -1.136 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.518 11.454 -2.740 1.00 0.00 C ATOM 0 H VAL A 38 7.445 12.608 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 38 6.311 13.951 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 38 9.130 12.811 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.918 12.452 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.804 14.176 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.332 13.260 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.135 10.722 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.518 11.461 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.454 11.188 -3.795 1.00 0.00 H new ATOM 528 N ALA A 39 9.082 15.385 -3.974 1.00 0.00 N ATOM 529 CA ALA A 39 9.839 16.631 -3.980 1.00 0.00 C ATOM 530 C ALA A 39 8.917 17.832 -4.162 1.00 0.00 C ATOM 531 O ALA A 39 9.054 18.841 -3.471 1.00 0.00 O ATOM 532 CB ALA A 39 10.895 16.602 -5.075 1.00 0.00 C ATOM 0 H ALA A 39 9.468 14.654 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 39 10.336 16.731 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.452 17.539 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.579 15.771 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.411 16.475 -6.044 1.00 0.00 H new ATOM 538 N GLU A 40 7.980 17.717 -5.098 1.00 0.00 N ATOM 539 CA GLU A 40 7.037 18.795 -5.371 1.00 0.00 C ATOM 540 C GLU A 40 6.123 19.036 -4.173 1.00 0.00 C ATOM 541 O GLU A 40 5.733 20.170 -3.893 1.00 0.00 O ATOM 542 CB GLU A 40 6.199 18.469 -6.608 1.00 0.00 C ATOM 543 CG GLU A 40 6.904 18.775 -7.919 1.00 0.00 C ATOM 544 CD GLU A 40 7.485 20.175 -7.956 1.00 0.00 C ATOM 545 OE1 GLU A 40 6.940 21.061 -7.265 1.00 0.00 O ATOM 546 OE2 GLU A 40 8.484 20.384 -8.675 1.00 0.00 O ATOM 0 H GLU A 40 7.854 16.889 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 40 7.609 19.704 -5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.931 17.413 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.268 19.034 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.703 18.050 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.200 18.656 -8.742 1.00 0.00 H new ATOM 553 N LEU A 41 5.785 17.961 -3.470 1.00 0.00 N ATOM 554 CA LEU A 41 4.916 18.053 -2.301 1.00 0.00 C ATOM 555 C LEU A 41 5.642 18.713 -1.134 1.00 0.00 C ATOM 556 O LEU A 41 5.016 19.308 -0.256 1.00 0.00 O ATOM 557 CB LEU A 41 4.428 16.662 -1.893 1.00 0.00 C ATOM 558 CG LEU A 41 3.130 16.616 -1.086 1.00 0.00 C ATOM 559 CD1 LEU A 41 1.936 16.918 -1.978 1.00 0.00 C ATOM 560 CD2 LEU A 41 2.967 15.260 -0.414 1.00 0.00 C ATOM 0 H LEU A 41 6.099 17.015 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 41 4.057 18.669 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.292 16.067 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.213 16.180 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 41 3.180 17.380 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.021 16.881 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.048 17.912 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.882 16.178 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.038 15.246 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.939 14.479 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.807 15.083 0.258 1.00 0.00 H new ATOM 572 N LYS A 42 6.966 18.606 -1.131 1.00 0.00 N ATOM 573 CA LYS A 42 7.779 19.195 -0.073 1.00 0.00 C ATOM 574 C LYS A 42 8.049 20.670 -0.353 1.00 0.00 C ATOM 575 O LYS A 42 8.086 21.489 0.566 1.00 0.00 O ATOM 576 CB LYS A 42 9.104 18.440 0.060 1.00 0.00 C ATOM 577 CG LYS A 42 8.982 17.128 0.816 1.00 0.00 C ATOM 578 CD LYS A 42 9.997 16.108 0.328 1.00 0.00 C ATOM 579 CE LYS A 42 11.313 16.227 1.080 1.00 0.00 C ATOM 580 NZ LYS A 42 12.232 17.207 0.438 1.00 0.00 N ATOM 0 H LYS A 42 7.499 18.117 -1.850 1.00 0.00 H new ATOM 0 HA LYS A 42 7.226 19.115 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.501 18.241 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.827 19.078 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.127 17.306 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.975 16.728 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.594 15.103 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.172 16.249 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.118 16.532 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.796 15.251 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.118 17.259 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.439 16.903 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.782 18.144 0.419 1.00 0.00 H new ATOM 594 N ASP A 43 8.235 21.003 -1.625 1.00 0.00 N ATOM 595 CA ASP A 43 8.499 22.380 -2.025 1.00 0.00 C ATOM 596 C ASP A 43 7.218 23.208 -1.998 1.00 0.00 C ATOM 597 O ASP A 43 7.213 24.347 -1.528 1.00 0.00 O ATOM 598 CB ASP A 43 9.116 22.418 -3.424 1.00 0.00 C ATOM 599 CG ASP A 43 9.784 23.745 -3.726 1.00 0.00 C ATOM 600 OD1 ASP A 43 9.139 24.795 -3.518 1.00 0.00 O ATOM 601 OD2 ASP A 43 10.950 23.734 -4.171 1.00 0.00 O ATOM 0 H ASP A 43 8.208 20.338 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 43 9.204 22.810 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.849 21.616 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.340 22.228 -4.166 1.00 0.00 H new ATOM 606 N CYS A 44 6.135 22.630 -2.506 1.00 0.00 N ATOM 607 CA CYS A 44 4.848 23.316 -2.542 1.00 0.00 C ATOM 608 C CYS A 44 4.509 23.907 -1.177 1.00 0.00 C ATOM 609 O CYS A 44 3.974 25.012 -1.084 1.00 0.00 O ATOM 610 CB CYS A 44 3.746 22.352 -2.982 1.00 0.00 C ATOM 611 SG CYS A 44 3.162 21.250 -1.673 1.00 0.00 S ATOM 0 H CYS A 44 6.122 21.689 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 44 4.917 24.130 -3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.902 22.930 -3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.116 21.749 -3.812 1.00 0.00 H new ATOM 0 HG CYS A 44 4.173 20.619 -1.154 1.00 0.00 H new ATOM 617 N ILE A 45 4.822 23.162 -0.122 1.00 0.00 N ATOM 618 CA ILE A 45 4.549 23.613 1.238 1.00 0.00 C ATOM 619 C ILE A 45 5.390 24.834 1.591 1.00 0.00 C ATOM 620 O ILE A 45 4.868 25.842 2.068 1.00 0.00 O ATOM 621 CB ILE A 45 4.824 22.499 2.265 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.880 21.317 2.035 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.674 23.036 3.681 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.453 19.990 2.481 1.00 0.00 C ATOM 0 H ILE A 45 5.264 22.245 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 45 3.493 23.879 1.277 1.00 0.00 H new ATOM 0 HB ILE A 45 5.849 22.151 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.947 21.498 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.635 21.260 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.871 22.237 4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.384 23.848 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.659 23.408 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.730 19.198 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.371 19.786 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.672 20.029 3.548 1.00 0.00 H new ATOM 636 N GLU A 46 6.694 24.738 1.352 1.00 0.00 N ATOM 637 CA GLU A 46 7.607 25.836 1.644 1.00 0.00 C ATOM 638 C GLU A 46 7.208 27.094 0.878 1.00 0.00 C ATOM 639 O GLU A 46 7.067 28.171 1.459 1.00 0.00 O ATOM 640 CB GLU A 46 9.043 25.444 1.290 1.00 0.00 C ATOM 641 CG GLU A 46 9.532 24.202 2.017 1.00 0.00 C ATOM 642 CD GLU A 46 10.040 24.506 3.413 1.00 0.00 C ATOM 643 OE1 GLU A 46 10.712 25.545 3.586 1.00 0.00 O ATOM 644 OE2 GLU A 46 9.768 23.706 4.331 1.00 0.00 O ATOM 0 H GLU A 46 7.142 23.911 0.957 1.00 0.00 H new ATOM 0 HA GLU A 46 7.549 26.048 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.110 25.276 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.706 26.277 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.719 23.478 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.329 23.736 1.438 1.00 0.00 H new ATOM 783 N SER A 55 2.612 15.393 -10.970 1.00 0.00 N ATOM 784 CA SER A 55 2.606 13.935 -10.990 1.00 0.00 C ATOM 785 C SER A 55 2.151 13.375 -9.645 1.00 0.00 C ATOM 786 O SER A 55 2.417 13.959 -8.594 1.00 0.00 O ATOM 787 CB SER A 55 3.999 13.403 -11.332 1.00 0.00 C ATOM 788 OG SER A 55 4.209 13.387 -12.733 1.00 0.00 O ATOM 0 HA SER A 55 1.902 13.609 -11.756 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.756 14.025 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.115 12.396 -10.932 1.00 0.00 H new ATOM 0 HG SER A 55 5.107 13.045 -12.925 1.00 0.00 H new ATOM 794 N LYS A 56 1.464 12.239 -9.686 1.00 0.00 N ATOM 795 CA LYS A 56 0.972 11.597 -8.473 1.00 0.00 C ATOM 796 C LYS A 56 2.077 10.789 -7.799 1.00 0.00 C ATOM 797 O LYS A 56 2.926 10.200 -8.468 1.00 0.00 O ATOM 798 CB LYS A 56 -0.214 10.686 -8.798 1.00 0.00 C ATOM 799 CG LYS A 56 -1.537 11.426 -8.903 1.00 0.00 C ATOM 800 CD LYS A 56 -2.591 10.585 -9.605 1.00 0.00 C ATOM 801 CE LYS A 56 -3.981 11.179 -9.434 1.00 0.00 C ATOM 802 NZ LYS A 56 -4.863 10.868 -10.592 1.00 0.00 N ATOM 0 H LYS A 56 1.235 11.743 -10.547 1.00 0.00 H new ATOM 0 HA LYS A 56 0.645 12.377 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.019 10.171 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.296 9.920 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.887 11.691 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.391 12.358 -9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.353 10.512 -10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.575 9.571 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.431 10.792 -8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.902 12.260 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.801 11.290 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.446 11.259 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.959 9.837 -10.688 1.00 0.00 H new ATOM 816 N VAL A 57 2.058 10.764 -6.470 1.00 0.00 N ATOM 817 CA VAL A 57 3.057 10.026 -5.706 1.00 0.00 C ATOM 818 C VAL A 57 2.876 8.522 -5.874 1.00 0.00 C ATOM 819 O VAL A 57 2.056 7.905 -5.194 1.00 0.00 O ATOM 820 CB VAL A 57 2.988 10.376 -4.207 1.00 0.00 C ATOM 821 CG1 VAL A 57 4.025 9.584 -3.425 1.00 0.00 C ATOM 822 CG2 VAL A 57 3.180 11.871 -4.000 1.00 0.00 C ATOM 0 H VAL A 57 1.362 11.246 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 57 4.033 10.317 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 57 2.001 10.104 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.961 9.845 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.837 8.517 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.021 9.822 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.128 12.101 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.153 12.170 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.396 12.415 -4.527 1.00 0.00 H new ATOM 832 N TYR A 58 3.647 7.937 -6.783 1.00 0.00 N ATOM 833 CA TYR A 58 3.571 6.504 -7.042 1.00 0.00 C ATOM 834 C TYR A 58 4.716 5.765 -6.357 1.00 0.00 C ATOM 835 O TYR A 58 5.886 6.103 -6.539 1.00 0.00 O ATOM 836 CB TYR A 58 3.604 6.234 -8.547 1.00 0.00 C ATOM 837 CG TYR A 58 3.869 4.787 -8.898 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.176 3.761 -8.267 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.811 4.447 -9.860 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.415 2.438 -8.584 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.056 3.126 -10.184 1.00 0.00 C ATOM 842 CZ TYR A 58 4.356 2.126 -9.543 1.00 0.00 C ATOM 843 OH TYR A 58 4.596 0.809 -9.862 1.00 0.00 O ATOM 0 H TYR A 58 4.332 8.433 -7.353 1.00 0.00 H new ATOM 0 HA TYR A 58 2.629 6.137 -6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.652 6.536 -8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.374 6.856 -9.002 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.438 4.002 -7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.361 5.228 -10.363 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.868 1.652 -8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.792 2.878 -10.935 1.00 0.00 H new ATOM 0 HH TYR A 58 4.785 0.304 -9.044 1.00 0.00 H new ATOM 853 N PHE A 59 4.371 4.753 -5.568 1.00 0.00 N ATOM 854 CA PHE A 59 5.368 3.965 -4.854 1.00 0.00 C ATOM 855 C PHE A 59 4.842 2.564 -4.554 1.00 0.00 C ATOM 856 O PHE A 59 3.722 2.399 -4.069 1.00 0.00 O ATOM 857 CB PHE A 59 5.764 4.663 -3.551 1.00 0.00 C ATOM 858 CG PHE A 59 4.640 4.765 -2.560 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.706 5.785 -2.655 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.516 3.842 -1.535 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.671 5.882 -1.744 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.483 3.934 -0.621 1.00 0.00 C ATOM 863 CZ PHE A 59 2.559 4.954 -0.727 1.00 0.00 C ATOM 0 H PHE A 59 3.408 4.459 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 59 6.247 3.875 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.592 4.120 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.127 5.665 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.788 6.512 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.235 3.041 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.951 6.682 -1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.399 3.209 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.750 5.026 -0.016 1.00 0.00 H new ATOM 873 N THR A 60 5.658 1.556 -4.846 1.00 0.00 N ATOM 874 CA THR A 60 5.276 0.170 -4.610 1.00 0.00 C ATOM 875 C THR A 60 5.844 -0.340 -3.290 1.00 0.00 C ATOM 876 O THR A 60 6.915 0.086 -2.859 1.00 0.00 O ATOM 877 CB THR A 60 5.756 -0.747 -5.751 1.00 0.00 C ATOM 878 OG1 THR A 60 5.323 -0.227 -7.012 1.00 0.00 O ATOM 879 CG2 THR A 60 5.223 -2.161 -5.569 1.00 0.00 C ATOM 0 H THR A 60 6.588 1.674 -5.247 1.00 0.00 H new ATOM 0 HA THR A 60 4.187 0.145 -4.567 1.00 0.00 H new ATOM 0 HB THR A 60 6.845 -0.780 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.047 -0.312 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.575 -2.790 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.579 -2.565 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.133 -2.142 -5.569 1.00 0.00 H new ATOM 887 N ILE A 61 5.119 -1.254 -2.654 1.00 0.00 N ATOM 888 CA ILE A 61 5.553 -1.823 -1.384 1.00 0.00 C ATOM 889 C ILE A 61 5.644 -3.343 -1.465 1.00 0.00 C ATOM 890 O ILE A 61 4.642 -4.025 -1.673 1.00 0.00 O ATOM 891 CB ILE A 61 4.597 -1.438 -0.239 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.750 0.045 0.106 1.00 0.00 C ATOM 893 CG2 ILE A 61 4.861 -2.302 0.985 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.883 0.489 1.263 1.00 0.00 C ATOM 0 H ILE A 61 4.229 -1.616 -2.997 1.00 0.00 H new ATOM 0 HA ILE A 61 6.541 -1.413 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 61 3.572 -1.611 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.794 0.248 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.503 0.641 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.178 -2.018 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.706 -3.350 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.889 -2.158 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.043 1.551 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.835 0.318 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.145 -0.081 2.154 1.00 0.00 H new ATOM 906 N ASN A 62 6.854 -3.867 -1.297 1.00 0.00 N ATOM 907 CA ASN A 62 7.077 -5.307 -1.350 1.00 0.00 C ATOM 908 C ASN A 62 7.002 -5.921 0.045 1.00 0.00 C ATOM 909 O ASN A 62 7.822 -5.620 0.911 1.00 0.00 O ATOM 910 CB ASN A 62 8.438 -5.611 -1.980 1.00 0.00 C ATOM 911 CG ASN A 62 8.557 -5.064 -3.390 1.00 0.00 C ATOM 912 OD1 ASN A 62 9.391 -4.044 -3.560 1.00 0.00 O flip ATOM 913 ND2 ASN A 62 7.908 -5.553 -4.314 1.00 0.00 N flip ATOM 0 H ASN A 62 7.695 -3.316 -1.123 1.00 0.00 H new ATOM 0 HA ASN A 62 6.293 -5.748 -1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.226 -5.184 -1.360 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.595 -6.690 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.279 -6.336 -4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.999 -5.175 -5.257 1.00 0.00 H new ATOM 920 N MET A 63 6.012 -6.783 0.253 1.00 0.00 N ATOM 921 CA MET A 63 5.830 -7.441 1.542 1.00 0.00 C ATOM 922 C MET A 63 5.969 -8.954 1.404 1.00 0.00 C ATOM 923 O MET A 63 5.263 -9.582 0.618 1.00 0.00 O ATOM 924 CB MET A 63 4.460 -7.094 2.127 1.00 0.00 C ATOM 925 CG MET A 63 4.296 -5.619 2.457 1.00 0.00 C ATOM 926 SD MET A 63 2.574 -5.086 2.417 1.00 0.00 S ATOM 927 CE MET A 63 1.810 -6.330 3.454 1.00 0.00 C ATOM 0 H MET A 63 5.324 -7.042 -0.454 1.00 0.00 H new ATOM 0 HA MET A 63 6.606 -7.083 2.218 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.686 -7.387 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.301 -7.680 3.032 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.710 -5.424 3.446 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.873 -5.026 1.747 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.902 -6.696 2.975 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.503 -7.159 3.599 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.559 -5.894 4.421 1.00 0.00 H new ATOM 937 N ASN A 64 6.885 -9.532 2.175 1.00 0.00 N ATOM 938 CA ASN A 64 7.117 -10.971 2.138 1.00 0.00 C ATOM 939 C ASN A 64 6.176 -11.698 3.093 1.00 0.00 C ATOM 940 O ASN A 64 6.263 -11.538 4.311 1.00 0.00 O ATOM 941 CB ASN A 64 8.570 -11.284 2.500 1.00 0.00 C ATOM 942 CG ASN A 64 8.886 -10.967 3.949 1.00 0.00 C ATOM 943 OD1 ASN A 64 8.244 -10.116 4.564 1.00 0.00 O ATOM 944 ND2 ASN A 64 9.881 -11.652 4.501 1.00 0.00 N ATOM 0 H ASN A 64 7.478 -9.026 2.833 1.00 0.00 H new ATOM 0 HA ASN A 64 6.919 -11.320 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.770 -12.338 2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.234 -10.712 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.140 -11.482 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.386 -12.349 3.953 1.00 0.00 H new ATOM 951 N LEU A 65 5.276 -12.499 2.532 1.00 0.00 N ATOM 952 CA LEU A 65 4.317 -13.252 3.334 1.00 0.00 C ATOM 953 C LEU A 65 4.080 -14.637 2.739 1.00 0.00 C ATOM 954 O LEU A 65 4.383 -14.882 1.571 1.00 0.00 O ATOM 955 CB LEU A 65 2.993 -12.492 3.429 1.00 0.00 C ATOM 956 CG LEU A 65 3.089 -10.967 3.372 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.832 -10.376 2.753 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.320 -10.395 4.763 1.00 0.00 C ATOM 0 H LEU A 65 5.190 -12.644 1.526 1.00 0.00 H new ATOM 0 HA LEU A 65 4.732 -13.372 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.346 -12.826 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.503 -12.771 4.362 1.00 0.00 H new ATOM 0 HG LEU A 65 3.939 -10.699 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.918 -9.290 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.710 -10.761 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.966 -10.653 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.386 -9.309 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.491 -10.673 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.249 -10.793 5.170 1.00 0.00 H new ATOM 970 N ASP A 66 3.536 -15.537 3.550 1.00 0.00 N ATOM 971 CA ASP A 66 3.254 -16.897 3.103 1.00 0.00 C ATOM 972 C ASP A 66 1.817 -17.020 2.607 1.00 0.00 C ATOM 973 O ASP A 66 0.916 -16.350 3.112 1.00 0.00 O ATOM 974 CB ASP A 66 3.502 -17.891 4.239 1.00 0.00 C ATOM 975 CG ASP A 66 2.678 -17.577 5.473 1.00 0.00 C ATOM 976 OD1 ASP A 66 2.303 -16.399 5.652 1.00 0.00 O ATOM 977 OD2 ASP A 66 2.409 -18.509 6.259 1.00 0.00 O ATOM 0 H ASP A 66 3.281 -15.350 4.520 1.00 0.00 H new ATOM 0 HA ASP A 66 3.925 -17.128 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.266 -18.898 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.560 -17.883 4.500 1.00 0.00 H new ATOM 982 N VAL A 67 1.610 -17.879 1.615 1.00 0.00 N ATOM 983 CA VAL A 67 0.282 -18.090 1.050 1.00 0.00 C ATOM 984 C VAL A 67 -0.190 -19.521 1.277 1.00 0.00 C ATOM 985 O VAL A 67 -1.289 -19.750 1.782 1.00 0.00 O ATOM 986 CB VAL A 67 0.260 -17.787 -0.460 1.00 0.00 C ATOM 987 CG1 VAL A 67 0.564 -16.318 -0.715 1.00 0.00 C ATOM 988 CG2 VAL A 67 1.247 -18.680 -1.197 1.00 0.00 C ATOM 0 H VAL A 67 2.345 -18.441 1.185 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.392 -17.403 1.561 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.740 -17.998 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.544 -16.123 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.185 -15.700 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.551 -16.077 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.218 -18.452 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.253 -18.503 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.978 -19.725 -1.042 1.00 0.00 H new ATOM 998 N SER A 68 0.647 -20.482 0.900 1.00 0.00 N ATOM 999 CA SER A 68 0.314 -21.893 1.060 1.00 0.00 C ATOM 1000 C SER A 68 1.548 -22.768 0.866 1.00 0.00 C ATOM 1001 O SER A 68 2.646 -22.267 0.621 1.00 0.00 O ATOM 1002 CB SER A 68 -0.774 -22.297 0.063 1.00 0.00 C ATOM 1003 OG SER A 68 -2.065 -22.036 0.583 1.00 0.00 O ATOM 0 H SER A 68 1.561 -20.309 0.481 1.00 0.00 H new ATOM 0 HA SER A 68 -0.058 -22.041 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.637 -21.751 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.681 -23.357 -0.172 1.00 0.00 H new ATOM 0 HG SER A 68 -2.068 -21.163 1.029 1.00 0.00 H new ATOM 1009 N ASP A 69 1.360 -24.078 0.978 1.00 0.00 N ATOM 1010 CA ASP A 69 2.457 -25.025 0.814 1.00 0.00 C ATOM 1011 C ASP A 69 3.696 -24.558 1.573 1.00 0.00 C ATOM 1012 O ASP A 69 4.816 -24.663 1.074 1.00 0.00 O ATOM 1013 CB ASP A 69 2.789 -25.203 -0.668 1.00 0.00 C ATOM 1014 CG ASP A 69 1.643 -25.816 -1.448 1.00 0.00 C ATOM 1015 OD1 ASP A 69 1.480 -27.053 -1.390 1.00 0.00 O ATOM 1016 OD2 ASP A 69 0.908 -25.059 -2.116 1.00 0.00 O ATOM 0 H ASP A 69 0.458 -24.509 1.182 1.00 0.00 H new ATOM 0 HA ASP A 69 2.141 -25.984 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.042 -24.235 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.671 -25.836 -0.766 1.00 0.00 H new ATOM 1021 N GLU A 70 3.485 -24.042 2.780 1.00 0.00 N ATOM 1022 CA GLU A 70 4.585 -23.558 3.605 1.00 0.00 C ATOM 1023 C GLU A 70 5.597 -22.785 2.764 1.00 0.00 C ATOM 1024 O GLU A 70 6.802 -22.848 3.009 1.00 0.00 O ATOM 1025 CB GLU A 70 5.277 -24.727 4.309 1.00 0.00 C ATOM 1026 CG GLU A 70 6.014 -25.658 3.361 1.00 0.00 C ATOM 1027 CD GLU A 70 5.111 -26.721 2.767 1.00 0.00 C ATOM 1028 OE1 GLU A 70 4.094 -27.062 3.407 1.00 0.00 O ATOM 1029 OE2 GLU A 70 5.421 -27.211 1.661 1.00 0.00 O ATOM 0 H GLU A 70 2.564 -23.949 3.207 1.00 0.00 H new ATOM 0 HA GLU A 70 4.173 -22.884 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.983 -24.333 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.532 -25.300 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.458 -25.073 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.833 -26.140 3.895 1.00 0.00 H new ATOM 1036 N LYS A 71 5.098 -22.056 1.771 1.00 0.00 N ATOM 1037 CA LYS A 71 5.957 -21.270 0.893 1.00 0.00 C ATOM 1038 C LYS A 71 5.718 -19.777 1.093 1.00 0.00 C ATOM 1039 O LYS A 71 4.714 -19.373 1.678 1.00 0.00 O ATOM 1040 CB LYS A 71 5.706 -21.646 -0.569 1.00 0.00 C ATOM 1041 CG LYS A 71 6.592 -22.774 -1.068 1.00 0.00 C ATOM 1042 CD LYS A 71 7.898 -22.247 -1.638 1.00 0.00 C ATOM 1043 CE LYS A 71 7.674 -21.496 -2.942 1.00 0.00 C ATOM 1044 NZ LYS A 71 8.956 -21.204 -3.641 1.00 0.00 N ATOM 0 H LYS A 71 4.103 -21.993 1.554 1.00 0.00 H new ATOM 0 HA LYS A 71 6.994 -21.491 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.662 -21.936 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.865 -20.767 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.803 -23.462 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.063 -23.342 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.372 -21.586 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.583 -23.077 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.031 -22.086 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.151 -20.562 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.761 -20.692 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.560 -20.620 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.444 -22.096 -3.859 1.00 0.00 H new ATOM 1058 N MET A 72 6.647 -18.963 0.602 1.00 0.00 N ATOM 1059 CA MET A 72 6.535 -17.514 0.726 1.00 0.00 C ATOM 1060 C MET A 72 6.568 -16.848 -0.646 1.00 0.00 C ATOM 1061 O MET A 72 7.043 -17.432 -1.619 1.00 0.00 O ATOM 1062 CB MET A 72 7.665 -16.966 1.599 1.00 0.00 C ATOM 1063 CG MET A 72 7.300 -16.863 3.071 1.00 0.00 C ATOM 1064 SD MET A 72 8.565 -16.023 4.044 1.00 0.00 S ATOM 1065 CE MET A 72 7.915 -14.354 4.075 1.00 0.00 C ATOM 0 H MET A 72 7.485 -19.282 0.115 1.00 0.00 H new ATOM 0 HA MET A 72 5.579 -17.287 1.198 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.539 -17.609 1.494 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.950 -15.979 1.234 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.356 -16.328 3.170 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.143 -17.864 3.473 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.439 -13.773 4.834 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.058 -13.890 3.099 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.851 -14.382 4.311 1.00 0.00 H new ATOM 1075 N ALA A 73 6.060 -15.621 -0.716 1.00 0.00 N ATOM 1076 CA ALA A 73 6.034 -14.876 -1.968 1.00 0.00 C ATOM 1077 C ALA A 73 6.003 -13.373 -1.711 1.00 0.00 C ATOM 1078 O ALA A 73 5.633 -12.927 -0.625 1.00 0.00 O ATOM 1079 CB ALA A 73 4.835 -15.294 -2.806 1.00 0.00 C ATOM 0 H ALA A 73 5.661 -15.123 0.080 1.00 0.00 H new ATOM 0 HA ALA A 73 6.946 -15.106 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.828 -14.729 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.899 -16.359 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.917 -15.093 -2.253 1.00 0.00 H new ATOM 1085 N MET A 74 6.396 -12.597 -2.716 1.00 0.00 N ATOM 1086 CA MET A 74 6.414 -11.144 -2.598 1.00 0.00 C ATOM 1087 C MET A 74 5.096 -10.544 -3.078 1.00 0.00 C ATOM 1088 O MET A 74 4.514 -11.004 -4.061 1.00 0.00 O ATOM 1089 CB MET A 74 7.576 -10.559 -3.402 1.00 0.00 C ATOM 1090 CG MET A 74 8.138 -9.276 -2.812 1.00 0.00 C ATOM 1091 SD MET A 74 9.481 -9.577 -1.647 1.00 0.00 S ATOM 1092 CE MET A 74 8.819 -8.818 -0.165 1.00 0.00 C ATOM 0 H MET A 74 6.706 -12.950 -3.621 1.00 0.00 H new ATOM 0 HA MET A 74 6.547 -10.892 -1.546 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.373 -11.300 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.241 -10.364 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.498 -8.637 -3.618 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.339 -8.732 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 74 9.179 -9.357 0.712 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.145 -7.779 -0.112 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.730 -8.856 -0.192 1.00 0.00 H new ATOM 1102 N PHE A 75 4.630 -9.515 -2.379 1.00 0.00 N ATOM 1103 CA PHE A 75 3.380 -8.853 -2.733 1.00 0.00 C ATOM 1104 C PHE A 75 3.614 -7.376 -3.036 1.00 0.00 C ATOM 1105 O PHE A 75 3.908 -6.586 -2.139 1.00 0.00 O ATOM 1106 CB PHE A 75 2.362 -8.998 -1.600 1.00 0.00 C ATOM 1107 CG PHE A 75 1.535 -10.248 -1.693 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.119 -11.494 -1.539 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.173 -10.176 -1.936 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.361 -12.647 -1.624 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.591 -11.325 -2.022 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.004 -12.562 -1.867 1.00 0.00 C ATOM 0 H PHE A 75 5.099 -9.121 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 75 2.986 -9.332 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.889 -8.991 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.699 -8.132 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.180 -11.566 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.297 -9.212 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.829 -13.612 -1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.652 -11.256 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.591 -13.461 -1.936 1.00 0.00 H new ATOM 1122 N SER A 76 3.480 -7.010 -4.307 1.00 0.00 N ATOM 1123 CA SER A 76 3.681 -5.629 -4.731 1.00 0.00 C ATOM 1124 C SER A 76 2.397 -4.820 -4.570 1.00 0.00 C ATOM 1125 O SER A 76 1.357 -5.166 -5.132 1.00 0.00 O ATOM 1126 CB SER A 76 4.148 -5.583 -6.187 1.00 0.00 C ATOM 1127 OG SER A 76 5.363 -6.292 -6.356 1.00 0.00 O ATOM 0 H SER A 76 3.233 -7.651 -5.061 1.00 0.00 H new ATOM 0 HA SER A 76 4.450 -5.188 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.381 -6.011 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.282 -4.547 -6.496 1.00 0.00 H new ATOM 0 HG SER A 76 5.639 -6.249 -7.295 1.00 0.00 H new ATOM 1133 N LEU A 77 2.479 -3.740 -3.800 1.00 0.00 N ATOM 1134 CA LEU A 77 1.325 -2.880 -3.564 1.00 0.00 C ATOM 1135 C LEU A 77 1.549 -1.493 -4.159 1.00 0.00 C ATOM 1136 O LEU A 77 2.124 -0.617 -3.515 1.00 0.00 O ATOM 1137 CB LEU A 77 1.047 -2.766 -2.064 1.00 0.00 C ATOM 1138 CG LEU A 77 0.130 -3.834 -1.468 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.903 -5.119 -1.213 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.511 -3.330 -0.183 1.00 0.00 C ATOM 0 H LEU A 77 3.332 -3.440 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 77 0.461 -3.330 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.000 -2.797 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.607 -1.788 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.662 -4.047 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.234 -5.868 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.313 -5.489 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.716 -4.922 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.160 -4.103 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.267 -3.088 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.099 -2.437 -0.396 1.00 0.00 H new ATOM 1152 N ALA A 78 1.089 -1.302 -5.391 1.00 0.00 N ATOM 1153 CA ALA A 78 1.235 -0.020 -6.070 1.00 0.00 C ATOM 1154 C ALA A 78 0.304 1.028 -5.472 1.00 0.00 C ATOM 1155 O ALA A 78 -0.856 1.141 -5.870 1.00 0.00 O ATOM 1156 CB ALA A 78 0.967 -0.179 -7.560 1.00 0.00 C ATOM 0 H ALA A 78 0.612 -2.018 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 78 2.260 0.322 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.079 0.786 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.677 -0.889 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.048 -0.548 -7.710 1.00 0.00 H new ATOM 1162 N CYS A 79 0.818 1.792 -4.514 1.00 0.00 N ATOM 1163 CA CYS A 79 0.031 2.831 -3.860 1.00 0.00 C ATOM 1164 C CYS A 79 0.222 4.176 -4.553 1.00 0.00 C ATOM 1165 O CYS A 79 1.347 4.576 -4.854 1.00 0.00 O ATOM 1166 CB CYS A 79 0.422 2.943 -2.385 1.00 0.00 C ATOM 1167 SG CYS A 79 0.442 1.364 -1.505 1.00 0.00 S ATOM 0 H CYS A 79 1.776 1.711 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.021 2.554 -3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.410 3.398 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.275 3.616 -1.886 1.00 0.00 H new ATOM 0 HG CYS A 79 1.069 0.477 -2.219 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.884 4.868 -4.805 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.837 6.168 -5.463 1.00 0.00 C ATOM 1175 C ILE A 80 -1.605 7.216 -4.665 1.00 0.00 C ATOM 1176 O ILE A 80 -2.792 7.051 -4.382 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.418 6.098 -6.888 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.597 5.136 -7.750 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.450 7.483 -7.516 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -1.076 5.048 -9.182 1.00 0.00 C ATOM 0 H ILE A 80 -1.823 4.551 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 80 0.213 6.455 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.440 5.723 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.445 5.455 -7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.630 4.142 -7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.863 7.417 -8.523 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.072 8.142 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.438 7.884 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.448 4.348 -9.733 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.109 4.700 -9.199 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.017 6.032 -9.647 1.00 0.00 H new ATOM 1192 N LEU A 81 -0.920 8.296 -4.306 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.537 9.374 -3.541 1.00 0.00 C ATOM 1194 C LEU A 81 -1.982 10.508 -4.460 1.00 0.00 C ATOM 1195 O LEU A 81 -1.167 11.217 -5.050 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.560 9.906 -2.492 1.00 0.00 C ATOM 1197 CG LEU A 81 0.103 8.857 -1.599 1.00 0.00 C ATOM 1198 CD1 LEU A 81 1.003 9.523 -0.569 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -0.949 7.998 -0.914 1.00 0.00 C ATOM 0 H LEU A 81 0.063 8.449 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.416 8.972 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.223 10.465 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.092 10.613 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 81 0.719 8.212 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.466 8.760 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.779 10.094 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.410 10.193 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.459 7.257 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.591 8.630 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.552 7.491 -1.667 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.305 10.686 -4.583 1.00 0.00 N ATOM 1212 CA PRO A 82 -3.888 11.734 -5.426 1.00 0.00 C ATOM 1213 C PRO A 82 -3.655 13.130 -4.859 1.00 0.00 C ATOM 1214 O PRO A 82 -3.030 13.289 -3.810 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.382 11.399 -5.425 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.602 10.648 -4.158 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.335 9.877 -3.908 1.00 0.00 C ATOM 0 HA PRO A 82 -3.442 11.753 -6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.990 12.303 -5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.653 10.798 -6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.814 11.328 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.456 9.977 -4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.131 9.774 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.389 8.870 -4.321 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.162 14.140 -5.559 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.007 15.524 -5.125 1.00 0.00 C ATOM 1227 C PHE A 83 -5.172 15.948 -4.235 1.00 0.00 C ATOM 1228 O PHE A 83 -5.521 17.127 -4.168 1.00 0.00 O ATOM 1229 CB PHE A 83 -3.912 16.453 -6.337 1.00 0.00 C ATOM 1230 CG PHE A 83 -2.890 16.017 -7.347 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -1.615 15.648 -6.947 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.202 15.977 -8.696 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -0.672 15.248 -7.875 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.263 15.578 -9.628 1.00 0.00 C ATOM 1235 CZ PHE A 83 -0.997 15.212 -9.217 1.00 0.00 C ATOM 0 H PHE A 83 -4.683 14.026 -6.428 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.086 15.597 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.888 16.508 -6.820 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.668 17.459 -5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.356 15.673 -5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.191 16.261 -9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.318 14.964 -7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.519 15.553 -10.677 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.262 14.898 -9.943 1.00 0.00 H new ATOM 1245 N LYS A 84 -5.772 14.977 -3.553 1.00 0.00 N ATOM 1246 CA LYS A 84 -6.897 15.247 -2.666 1.00 0.00 C ATOM 1247 C LYS A 84 -6.623 14.717 -1.263 1.00 0.00 C ATOM 1248 O LYS A 84 -6.905 15.388 -0.269 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.175 14.614 -3.222 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.191 14.507 -4.737 1.00 0.00 C ATOM 1251 CD LYS A 84 -9.602 14.627 -5.289 1.00 0.00 C ATOM 1252 CE LYS A 84 -9.757 13.860 -6.594 1.00 0.00 C ATOM 1253 NZ LYS A 84 -9.165 14.598 -7.744 1.00 0.00 N ATOM 0 H LYS A 84 -5.497 13.996 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.030 16.327 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.293 13.618 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.033 15.203 -2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.564 15.289 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.761 13.552 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.314 14.248 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.842 15.678 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.277 12.886 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.815 13.678 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.291 14.043 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.640 15.517 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.150 14.750 -7.574 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.071 13.511 -1.188 1.00 0.00 N ATOM 1268 CA TYR A 85 -5.760 12.891 0.094 1.00 0.00 C ATOM 1269 C TYR A 85 -5.406 13.946 1.138 1.00 0.00 C ATOM 1270 O TYR A 85 -4.731 14.935 0.854 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.603 11.903 -0.061 1.00 0.00 C ATOM 1272 CG TYR A 85 -4.661 10.745 0.909 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -5.782 9.926 0.977 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.596 10.470 1.758 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -5.840 8.867 1.862 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.645 9.412 2.645 1.00 0.00 C ATOM 1277 CZ TYR A 85 -4.769 8.614 2.694 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.822 7.560 3.578 1.00 0.00 O ATOM 0 H TYR A 85 -5.830 12.943 -2.000 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.646 12.353 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.603 11.513 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.661 12.435 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.622 10.121 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.715 11.094 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.719 8.241 1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.808 9.211 3.297 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.723 7.496 3.957 1.00 0.00 H new ATOM 1288 N PRO A 86 -5.873 13.730 2.377 1.00 0.00 N ATOM 1289 CA PRO A 86 -6.678 12.556 2.726 1.00 0.00 C ATOM 1290 C PRO A 86 -8.070 12.601 2.105 1.00 0.00 C ATOM 1291 O PRO A 86 -8.817 11.626 2.162 1.00 0.00 O ATOM 1292 CB PRO A 86 -6.771 12.631 4.252 1.00 0.00 C ATOM 1293 CG PRO A 86 -6.592 14.075 4.572 1.00 0.00 C ATOM 1294 CD PRO A 86 -5.650 14.616 3.532 1.00 0.00 C ATOM 0 HA PRO A 86 -6.232 11.632 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.733 12.263 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.001 12.022 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.546 14.602 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.183 14.205 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.872 15.655 3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.615 14.582 3.871 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.410 13.740 1.510 1.00 0.00 N ATOM 1303 CA ALA A 87 -9.711 13.911 0.876 1.00 0.00 C ATOM 1304 C ALA A 87 -10.219 12.594 0.300 1.00 0.00 C ATOM 1305 O ALA A 87 -11.136 11.979 0.845 1.00 0.00 O ATOM 1306 CB ALA A 87 -9.632 14.970 -0.214 1.00 0.00 C ATOM 0 H ALA A 87 -7.803 14.557 1.454 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.418 14.241 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.611 15.087 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.322 15.919 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.907 14.663 -0.968 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.617 12.165 -0.805 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.008 10.920 -1.455 1.00 0.00 C ATOM 1314 C VAL A 88 -8.937 9.849 -1.280 1.00 0.00 C ATOM 1315 O VAL A 88 -7.755 10.092 -1.524 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.269 11.129 -2.958 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.238 12.281 -3.178 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -8.961 11.374 -3.696 1.00 0.00 C ATOM 0 H VAL A 88 -8.856 12.662 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.930 10.589 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.723 10.223 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.410 12.413 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.184 12.061 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.816 13.196 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.164 11.520 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.477 12.264 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.304 10.514 -3.567 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.359 8.663 -0.856 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.436 7.552 -0.649 1.00 0.00 C ATOM 1330 C LEU A 89 -7.560 7.335 -1.879 1.00 0.00 C ATOM 1331 O LEU A 89 -7.936 7.662 -3.004 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.211 6.273 -0.328 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.128 6.332 0.894 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -11.060 5.130 0.920 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -9.307 6.400 2.173 1.00 0.00 C ATOM 0 H LEU A 89 -10.334 8.446 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.791 7.800 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.814 6.010 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.494 5.465 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.735 7.235 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.705 5.189 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.672 5.125 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.471 4.214 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.976 6.441 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.675 5.515 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.681 7.292 2.157 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.364 6.769 -1.661 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.410 6.493 -2.739 1.00 0.00 C ATOM 1349 C PRO A 90 -5.884 5.371 -3.658 1.00 0.00 C ATOM 1350 O PRO A 90 -6.929 4.765 -3.425 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.142 6.072 -1.993 1.00 0.00 C ATOM 1352 CG PRO A 90 -4.628 5.547 -0.686 1.00 0.00 C ATOM 1353 CD PRO A 90 -5.850 6.353 -0.345 1.00 0.00 C ATOM 0 HA PRO A 90 -5.271 7.356 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.592 5.310 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.466 6.916 -1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.867 4.486 -0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -3.864 5.651 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.582 5.760 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.603 7.212 0.280 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.107 5.101 -4.703 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.449 4.052 -5.657 1.00 0.00 C ATOM 1363 C GLU A 91 -4.534 2.843 -5.486 1.00 0.00 C ATOM 1364 O GLU A 91 -3.887 2.402 -6.436 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.349 4.582 -7.089 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.647 5.176 -7.610 1.00 0.00 C ATOM 1367 CD GLU A 91 -6.584 5.511 -9.087 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -6.011 6.566 -9.432 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -7.107 4.718 -9.898 1.00 0.00 O ATOM 0 H GLU A 91 -4.238 5.593 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.475 3.740 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.568 5.341 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.041 3.770 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.460 4.472 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.881 6.079 -7.046 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.487 2.312 -4.269 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.653 1.153 -3.973 1.00 0.00 C ATOM 1378 C ILE A 92 -4.051 -0.044 -4.830 1.00 0.00 C ATOM 1379 O ILE A 92 -5.176 -0.536 -4.745 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.743 0.759 -2.487 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.353 1.943 -1.599 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.851 -0.440 -2.202 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.745 1.764 -0.149 1.00 0.00 C ATOM 0 H ILE A 92 -5.016 2.666 -3.472 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.626 1.436 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.773 0.483 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.275 2.093 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.823 2.847 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.925 -0.706 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.170 -1.284 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.817 -0.189 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.438 2.640 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.826 1.644 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.254 0.878 0.254 1.00 0.00 H new ATOM 1395 N THR A 93 -3.118 -0.510 -5.655 1.00 0.00 N ATOM 1396 CA THR A 93 -3.371 -1.650 -6.527 1.00 0.00 C ATOM 1397 C THR A 93 -2.404 -2.791 -6.234 1.00 0.00 C ATOM 1398 O THR A 93 -1.240 -2.750 -6.634 1.00 0.00 O ATOM 1399 CB THR A 93 -3.250 -1.259 -8.012 1.00 0.00 C ATOM 1400 OG1 THR A 93 -4.187 -0.221 -8.323 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.501 -2.461 -8.911 1.00 0.00 C ATOM 0 H THR A 93 -2.181 -0.115 -5.737 1.00 0.00 H new ATOM 0 HA THR A 93 -4.390 -1.980 -6.328 1.00 0.00 H new ATOM 0 HB THR A 93 -2.237 -0.899 -8.188 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.985 0.574 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.410 -2.160 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.769 -3.238 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.504 -2.847 -8.731 1.00 0.00 H new ATOM 1409 N VAL A 94 -2.893 -3.810 -5.534 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.071 -4.964 -5.189 1.00 0.00 C ATOM 1411 C VAL A 94 -1.891 -5.889 -6.388 1.00 0.00 C ATOM 1412 O VAL A 94 -2.847 -6.186 -7.105 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.688 -5.764 -4.026 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -1.688 -6.774 -3.483 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.161 -4.825 -2.927 1.00 0.00 C ATOM 0 H VAL A 94 -3.854 -3.860 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.099 -4.580 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.552 -6.311 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.141 -7.330 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.403 -7.466 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.803 -6.251 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.594 -5.406 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.315 -4.249 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.913 -4.145 -3.328 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.660 -6.342 -6.600 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.354 -7.233 -7.713 1.00 0.00 C ATOM 1427 C ARG A 95 0.678 -8.279 -7.304 1.00 0.00 C ATOM 1428 O ARG A 95 1.613 -7.985 -6.558 1.00 0.00 O ATOM 1429 CB ARG A 95 0.163 -6.431 -8.909 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.871 -5.486 -9.501 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.750 -6.192 -10.521 1.00 0.00 C ATOM 1432 NE ARG A 95 -2.638 -5.263 -11.214 1.00 0.00 N ATOM 1433 CZ ARG A 95 -3.468 -5.625 -12.186 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -3.523 -6.891 -12.577 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -4.245 -4.721 -12.769 1.00 0.00 N ATOM 0 H ARG A 95 0.142 -6.107 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.273 -7.746 -7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.035 -5.855 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.496 -7.123 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.492 -5.079 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.367 -4.643 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.121 -6.704 -11.249 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.344 -6.956 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.620 -4.282 -10.936 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.927 -7.589 -12.131 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.161 -7.167 -13.323 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.206 -3.746 -12.471 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.882 -5.001 -13.515 1.00 0.00 H new ATOM 1449 N SER A 96 0.503 -9.501 -7.797 1.00 0.00 N ATOM 1450 CA SER A 96 1.416 -10.592 -7.479 1.00 0.00 C ATOM 1451 C SER A 96 1.192 -11.777 -8.413 1.00 0.00 C ATOM 1452 O SER A 96 0.093 -12.326 -8.486 1.00 0.00 O ATOM 1453 CB SER A 96 1.233 -11.032 -6.025 1.00 0.00 C ATOM 1454 OG SER A 96 2.346 -11.787 -5.577 1.00 0.00 O ATOM 0 H SER A 96 -0.263 -9.760 -8.418 1.00 0.00 H new ATOM 0 HA SER A 96 2.435 -10.231 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.105 -10.156 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.325 -11.628 -5.933 1.00 0.00 H new ATOM 0 HG SER A 96 2.953 -11.207 -5.071 1.00 0.00 H new ATOM 1460 N VAL A 97 2.244 -12.168 -9.126 1.00 0.00 N ATOM 1461 CA VAL A 97 2.164 -13.288 -10.056 1.00 0.00 C ATOM 1462 C VAL A 97 1.315 -14.418 -9.483 1.00 0.00 C ATOM 1463 O VAL A 97 0.685 -15.172 -10.224 1.00 0.00 O ATOM 1464 CB VAL A 97 3.563 -13.835 -10.397 1.00 0.00 C ATOM 1465 CG1 VAL A 97 4.399 -12.769 -11.089 1.00 0.00 C ATOM 1466 CG2 VAL A 97 4.259 -14.338 -9.141 1.00 0.00 C ATOM 0 H VAL A 97 3.162 -11.725 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 97 1.697 -12.911 -10.966 1.00 0.00 H new ATOM 0 HB VAL A 97 3.449 -14.675 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.384 -13.174 -11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.906 -12.461 -12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.507 -11.907 -10.430 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.246 -14.721 -9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.363 -13.519 -8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.667 -15.135 -8.692 1.00 0.00 H new ATOM 1476 N LEU A 98 1.302 -14.528 -8.159 1.00 0.00 N ATOM 1477 CA LEU A 98 0.530 -15.565 -7.485 1.00 0.00 C ATOM 1478 C LEU A 98 -0.957 -15.425 -7.796 1.00 0.00 C ATOM 1479 O LEU A 98 -1.592 -16.362 -8.281 1.00 0.00 O ATOM 1480 CB LEU A 98 0.755 -15.496 -5.974 1.00 0.00 C ATOM 1481 CG LEU A 98 2.060 -16.108 -5.461 1.00 0.00 C ATOM 1482 CD1 LEU A 98 3.255 -15.480 -6.161 1.00 0.00 C ATOM 1483 CD2 LEU A 98 2.172 -15.939 -3.953 1.00 0.00 C ATOM 0 H LEU A 98 1.818 -13.911 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 98 0.870 -16.533 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.723 -14.450 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.077 -15.997 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 98 2.053 -17.174 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.174 -15.928 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.181 -15.654 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.268 -14.407 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.106 -16.380 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.157 -14.878 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.333 -16.438 -3.468 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.506 -14.248 -7.515 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.919 -13.984 -7.767 1.00 0.00 C ATOM 1497 C LEU A 99 -3.194 -13.873 -9.263 1.00 0.00 C ATOM 1498 O LEU A 99 -2.428 -13.253 -10.001 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.351 -12.697 -7.060 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.218 -12.691 -5.537 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.054 -11.270 -5.022 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.425 -13.358 -4.894 1.00 0.00 C ATOM 0 H LEU A 99 -0.995 -13.462 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.496 -14.820 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.762 -11.871 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.392 -12.498 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.328 -13.259 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.961 -11.285 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.158 -10.826 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.925 -10.678 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.313 -13.345 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.330 -12.818 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.497 -14.390 -5.239 1.00 0.00 H new ATOM 1514 N SER A 100 -4.294 -14.476 -9.703 1.00 0.00 N ATOM 1515 CA SER A 100 -4.670 -14.447 -11.112 1.00 0.00 C ATOM 1516 C SER A 100 -5.475 -13.192 -11.433 1.00 0.00 C ATOM 1517 O SER A 100 -5.766 -12.385 -10.550 1.00 0.00 O ATOM 1518 CB SER A 100 -5.481 -15.693 -11.471 1.00 0.00 C ATOM 1519 OG SER A 100 -6.722 -15.708 -10.787 1.00 0.00 O ATOM 0 H SER A 100 -4.940 -14.990 -9.104 1.00 0.00 H new ATOM 0 HA SER A 100 -3.756 -14.434 -11.706 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.655 -15.720 -12.547 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.911 -16.587 -11.217 1.00 0.00 H new ATOM 0 HG SER A 100 -7.222 -16.513 -11.035 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.832 -13.034 -12.703 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.603 -11.877 -13.142 1.00 0.00 C ATOM 1527 C ARG A 101 -7.921 -11.781 -12.380 1.00 0.00 C ATOM 1528 O ARG A 101 -8.278 -10.719 -11.869 1.00 0.00 O ATOM 1529 CB ARG A 101 -6.876 -11.961 -14.645 1.00 0.00 C ATOM 1530 CG ARG A 101 -7.019 -10.603 -15.314 1.00 0.00 C ATOM 1531 CD ARG A 101 -8.401 -10.011 -15.084 1.00 0.00 C ATOM 1532 NE ARG A 101 -9.380 -10.521 -16.040 1.00 0.00 N ATOM 1533 CZ ARG A 101 -9.524 -10.042 -17.271 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -8.755 -9.048 -17.693 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -10.439 -10.559 -18.082 1.00 0.00 N ATOM 0 H ARG A 101 -5.600 -13.693 -13.446 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.017 -10.981 -12.935 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -6.064 -12.509 -15.123 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.788 -12.535 -14.809 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.261 -9.923 -14.925 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.838 -10.703 -16.384 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.730 -10.241 -14.071 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.348 -8.925 -15.163 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.986 -11.287 -15.747 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.051 -8.649 -17.072 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.868 -8.682 -18.638 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -11.032 -11.324 -17.760 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.549 -10.191 -19.027 1.00 0.00 H new ATOM 1549 N SER A 102 -8.640 -12.896 -12.307 1.00 0.00 N ATOM 1550 CA SER A 102 -9.921 -12.936 -11.611 1.00 0.00 C ATOM 1551 C SER A 102 -9.746 -12.600 -10.133 1.00 0.00 C ATOM 1552 O SER A 102 -10.254 -11.588 -9.652 1.00 0.00 O ATOM 1553 CB SER A 102 -10.563 -14.317 -11.759 1.00 0.00 C ATOM 1554 OG SER A 102 -11.386 -14.375 -12.911 1.00 0.00 O ATOM 0 H SER A 102 -8.357 -13.784 -12.721 1.00 0.00 H new ATOM 0 HA SER A 102 -10.575 -12.189 -12.061 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.785 -15.078 -11.825 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.156 -14.543 -10.873 1.00 0.00 H new ATOM 0 HG SER A 102 -11.783 -15.268 -12.985 1.00 0.00 H new ATOM 1560 N GLN A 103 -9.024 -13.458 -9.419 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.783 -13.253 -7.996 1.00 0.00 C ATOM 1562 C GLN A 103 -8.286 -11.836 -7.726 1.00 0.00 C ATOM 1563 O GLN A 103 -8.980 -11.034 -7.102 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.765 -14.270 -7.477 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.237 -15.711 -7.583 1.00 0.00 C ATOM 1566 CD GLN A 103 -9.186 -16.098 -6.466 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -9.645 -15.247 -5.704 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -9.487 -17.388 -6.364 1.00 0.00 N ATOM 0 H GLN A 103 -8.596 -14.301 -9.803 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.727 -13.394 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.836 -14.159 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.539 -14.046 -6.434 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.733 -15.857 -8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.372 -16.375 -7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.083 -18.059 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.122 -17.707 -5.632 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.081 -11.537 -8.201 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.491 -10.217 -8.010 1.00 0.00 C ATOM 1579 C GLN A 104 -7.563 -9.133 -8.042 1.00 0.00 C ATOM 1580 O GLN A 104 -7.627 -8.281 -7.155 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.440 -9.944 -9.086 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.559 -8.742 -8.786 1.00 0.00 C ATOM 1583 CD GLN A 104 -3.848 -8.858 -7.452 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.731 -9.368 -7.374 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.494 -8.383 -6.393 1.00 0.00 N ATOM 0 H GLN A 104 -6.495 -12.190 -8.720 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.011 -10.199 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.810 -10.826 -9.199 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.942 -9.787 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.820 -8.631 -9.579 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.169 -7.839 -8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.419 -7.968 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.065 -8.433 -5.469 1.00 0.00 H new ATOM 1594 N THR A 105 -8.404 -9.169 -9.071 1.00 0.00 N ATOM 1595 CA THR A 105 -9.472 -8.188 -9.220 1.00 0.00 C ATOM 1596 C THR A 105 -10.291 -8.069 -7.941 1.00 0.00 C ATOM 1597 O THR A 105 -10.308 -7.018 -7.300 1.00 0.00 O ATOM 1598 CB THR A 105 -10.411 -8.554 -10.386 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.656 -8.712 -11.592 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.471 -7.481 -10.582 1.00 0.00 C ATOM 0 H THR A 105 -8.366 -9.867 -9.814 1.00 0.00 H new ATOM 0 HA THR A 105 -8.996 -7.231 -9.433 1.00 0.00 H new ATOM 0 HB THR A 105 -10.907 -9.494 -10.144 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.517 -9.666 -11.768 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.123 -7.760 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 105 -12.063 -7.383 -9.672 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.989 -6.529 -10.805 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.969 -9.152 -7.574 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.791 -9.167 -6.370 1.00 0.00 C ATOM 1610 C GLN A 106 -11.001 -8.666 -5.165 1.00 0.00 C ATOM 1611 O GLN A 106 -11.484 -7.835 -4.395 1.00 0.00 O ATOM 1612 CB GLN A 106 -12.313 -10.579 -6.100 1.00 0.00 C ATOM 1613 CG GLN A 106 -13.250 -10.664 -4.907 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.534 -9.886 -5.117 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -15.364 -10.248 -5.952 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.705 -8.810 -4.358 1.00 0.00 N ATOM 0 H GLN A 106 -10.965 -10.030 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.637 -8.499 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.834 -10.940 -6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.466 -11.245 -5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.491 -11.709 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.740 -10.284 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.991 -8.546 -3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.550 -8.247 -4.454 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.784 -9.175 -5.009 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.926 -8.780 -3.897 1.00 0.00 C ATOM 1627 C LEU A 107 -8.849 -7.261 -3.783 1.00 0.00 C ATOM 1628 O LEU A 107 -9.245 -6.684 -2.771 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.523 -9.361 -4.078 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.582 -9.229 -2.880 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.593 -10.384 -2.849 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.847 -7.897 -2.923 1.00 0.00 C ATOM 0 H LEU A 107 -9.369 -9.862 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.359 -9.174 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.618 -10.418 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.058 -8.874 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.179 -9.263 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.931 -10.273 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.136 -11.326 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.002 -10.382 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.182 -7.821 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.262 -7.834 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.570 -7.082 -2.896 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.338 -6.619 -4.828 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.211 -5.166 -4.846 1.00 0.00 C ATOM 1646 C ASN A 108 -9.524 -4.500 -4.447 1.00 0.00 C ATOM 1647 O ASN A 108 -9.588 -3.769 -3.458 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.785 -4.687 -6.235 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.277 -4.639 -6.392 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.577 -4.024 -5.588 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.770 -5.289 -7.433 1.00 0.00 N ATOM 0 H ASN A 108 -8.005 -7.082 -5.674 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.446 -4.885 -4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.205 -5.351 -6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.198 -3.695 -6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.762 -5.291 -7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.388 -5.786 -8.074 1.00 0.00 H new ATOM 1658 N THR A 109 -10.572 -4.758 -5.224 1.00 0.00 N ATOM 1659 CA THR A 109 -11.884 -4.184 -4.953 1.00 0.00 C ATOM 1660 C THR A 109 -12.177 -4.163 -3.457 1.00 0.00 C ATOM 1661 O THR A 109 -12.791 -3.226 -2.948 1.00 0.00 O ATOM 1662 CB THR A 109 -12.999 -4.967 -5.672 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.783 -4.938 -7.087 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.366 -4.381 -5.350 1.00 0.00 C ATOM 0 H THR A 109 -10.537 -5.361 -6.046 1.00 0.00 H new ATOM 0 HA THR A 109 -11.866 -3.162 -5.331 1.00 0.00 H new ATOM 0 HB THR A 109 -12.972 -5.999 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.051 -5.547 -7.319 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.137 -4.950 -5.869 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.539 -4.431 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.402 -3.341 -5.675 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.734 -5.202 -2.757 1.00 0.00 N ATOM 1673 CA ASP A 110 -11.947 -5.302 -1.318 1.00 0.00 C ATOM 1674 C ASP A 110 -10.984 -4.392 -0.562 1.00 0.00 C ATOM 1675 O ASP A 110 -11.405 -3.529 0.209 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.771 -6.749 -0.855 1.00 0.00 C ATOM 1677 CG ASP A 110 -13.022 -7.580 -1.066 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.505 -7.645 -2.216 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.517 -8.167 -0.081 1.00 0.00 O ATOM 0 H ASP A 110 -11.225 -5.987 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.966 -4.981 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.941 -7.203 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.505 -6.760 0.202 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.690 -4.591 -0.787 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.666 -3.790 -0.125 1.00 0.00 C ATOM 1686 C LEU A 111 -9.115 -2.338 0.011 1.00 0.00 C ATOM 1687 O LEU A 111 -8.926 -1.713 1.055 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.353 -3.858 -0.907 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.320 -2.780 -0.579 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -5.949 -2.827 0.895 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.082 -2.946 -1.448 1.00 0.00 C ATOM 0 H LEU A 111 -9.325 -5.300 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.509 -4.198 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.899 -4.833 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.584 -3.800 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.760 -1.806 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.213 -2.053 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.840 -2.658 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.528 -3.804 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.357 -2.170 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.640 -3.926 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.361 -2.861 -2.498 1.00 0.00 H new ATOM 1703 N THR A 112 -9.714 -1.807 -1.051 1.00 0.00 N ATOM 1704 CA THR A 112 -10.191 -0.430 -1.050 1.00 0.00 C ATOM 1705 C THR A 112 -11.332 -0.244 -0.056 1.00 0.00 C ATOM 1706 O THR A 112 -11.294 0.653 0.786 1.00 0.00 O ATOM 1707 CB THR A 112 -10.670 0.000 -2.450 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.606 -0.143 -3.397 1.00 0.00 O ATOM 1709 CG2 THR A 112 -11.154 1.441 -2.437 1.00 0.00 C ATOM 0 H THR A 112 -9.880 -2.310 -1.923 1.00 0.00 H new ATOM 0 HA THR A 112 -9.349 0.196 -0.754 1.00 0.00 H new ATOM 0 HB THR A 112 -11.501 -0.643 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.919 0.131 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.487 1.722 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.983 1.540 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.339 2.096 -2.129 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.345 -1.098 -0.159 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.495 -1.029 0.734 1.00 0.00 C ATOM 1719 C ALA A 113 -13.055 -0.940 2.191 1.00 0.00 C ATOM 1720 O ALA A 113 -13.512 -0.073 2.937 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.398 -2.236 0.526 1.00 0.00 C ATOM 0 H ALA A 113 -12.393 -1.845 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 113 -14.055 -0.125 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.253 -2.171 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.749 -2.254 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.840 -3.148 0.735 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.166 -1.843 2.592 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.665 -1.867 3.961 1.00 0.00 C ATOM 1729 C PHE A 114 -11.516 -0.452 4.511 1.00 0.00 C ATOM 1730 O PHE A 114 -12.135 -0.095 5.514 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.320 -2.594 4.022 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.499 -2.236 5.227 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -9.883 -2.652 6.492 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.343 -1.483 5.096 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.129 -2.324 7.603 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.586 -1.153 6.204 1.00 0.00 C ATOM 1737 CZ PHE A 114 -7.980 -1.573 7.459 1.00 0.00 C ATOM 0 H PHE A 114 -11.778 -2.568 1.988 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.388 -2.403 4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.497 -3.670 4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.750 -2.363 3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.782 -3.239 6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.030 -1.150 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.439 -2.655 8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.686 -0.567 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.390 -1.314 8.326 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.690 0.350 3.848 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.458 1.727 4.270 1.00 0.00 C ATOM 1749 C LEU A 115 -11.749 2.538 4.216 1.00 0.00 C ATOM 1750 O LEU A 115 -12.182 3.100 5.222 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.396 2.381 3.384 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.091 1.600 3.215 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.357 2.055 1.963 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.208 1.765 4.443 1.00 0.00 C ATOM 0 H LEU A 115 -10.170 0.071 3.016 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.103 1.710 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.827 2.548 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.159 3.361 3.798 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.333 0.543 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.431 1.489 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.987 1.885 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.126 3.117 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.284 1.203 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.973 2.820 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.733 1.390 5.322 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.360 2.592 3.037 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.602 3.333 2.854 1.00 0.00 C ATOM 1768 C GLN A 116 -14.473 3.253 4.103 1.00 0.00 C ATOM 1769 O GLN A 116 -15.169 4.207 4.450 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.370 2.791 1.647 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.695 3.079 0.316 1.00 0.00 C ATOM 1772 CD GLN A 116 -14.592 2.785 -0.870 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -15.482 1.937 -0.795 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -14.363 3.485 -1.974 1.00 0.00 N ATOM 0 H GLN A 116 -12.015 2.132 2.195 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.349 4.378 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.491 1.713 1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.370 3.225 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.391 4.125 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.787 2.481 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.615 4.178 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.935 3.330 -2.804 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.430 2.108 4.776 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.214 1.902 5.988 1.00 0.00 C ATOM 1785 C LYS A 117 -14.396 2.244 7.229 1.00 0.00 C ATOM 1786 O LYS A 117 -14.719 3.182 7.959 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.699 0.453 6.067 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.935 0.271 6.930 1.00 0.00 C ATOM 1789 CD LYS A 117 -16.568 0.004 8.380 1.00 0.00 C ATOM 1790 CE LYS A 117 -17.645 0.506 9.330 1.00 0.00 C ATOM 1791 NZ LYS A 117 -18.920 -0.247 9.171 1.00 0.00 N ATOM 0 H LYS A 117 -13.860 1.308 4.502 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.078 2.566 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.914 0.095 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.896 -0.169 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.557 1.164 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.529 -0.558 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.421 -1.066 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.621 0.491 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.294 0.413 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.824 1.566 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.623 0.114 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.277 -0.124 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.752 -1.257 9.353 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.335 1.478 7.463 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.470 1.702 8.615 1.00 0.00 C ATOM 1807 C HIS A 118 -11.790 3.065 8.528 1.00 0.00 C ATOM 1808 O HIS A 118 -12.045 3.950 9.346 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.415 0.599 8.710 1.00 0.00 C ATOM 1810 CG HIS A 118 -11.908 -0.644 9.385 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -11.663 -0.927 10.712 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.636 -1.681 8.909 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -12.218 -2.085 11.023 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -12.816 -2.562 9.946 1.00 0.00 N ATOM 0 H HIS A 118 -13.054 0.697 6.870 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.089 1.681 9.512 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.074 0.347 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.551 0.980 9.254 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.006 -1.794 7.901 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.188 -2.560 11.992 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.328 -3.442 9.894 1.00 0.00 H new ATOM 1823 N CYS A 119 -10.925 3.227 7.533 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.207 4.482 7.340 1.00 0.00 C ATOM 1825 C CYS A 119 -10.891 5.342 6.283 1.00 0.00 C ATOM 1826 O CYS A 119 -10.805 5.061 5.087 1.00 0.00 O ATOM 1827 CB CYS A 119 -8.759 4.208 6.933 1.00 0.00 C ATOM 1828 SG CYS A 119 -7.854 3.153 8.090 1.00 0.00 S ATOM 0 H CYS A 119 -10.704 2.505 6.847 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.214 5.025 8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.752 3.739 5.949 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.234 5.158 6.837 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.955 1.912 7.716 1.00 0.00 H new ATOM 1834 N HIS A 120 -11.573 6.392 6.732 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.273 7.294 5.824 1.00 0.00 C ATOM 1836 C HIS A 120 -12.013 8.750 6.197 1.00 0.00 C ATOM 1837 O HIS A 120 -12.471 9.227 7.235 1.00 0.00 O ATOM 1838 CB HIS A 120 -13.775 7.009 5.848 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.494 7.485 4.623 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.666 8.211 4.673 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.201 7.337 3.310 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.062 8.487 3.443 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.191 7.968 2.598 1.00 0.00 N ATOM 0 H HIS A 120 -11.655 6.639 7.718 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.894 7.123 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -13.931 5.936 5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.213 7.486 6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -13.347 6.819 2.899 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -16.948 9.043 3.175 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -15.245 8.026 1.581 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.274 9.452 5.343 1.00 0.00 N ATOM 1853 CA GLY A 121 -10.965 10.846 5.601 1.00 0.00 C ATOM 1854 C GLY A 121 -9.742 11.016 6.480 1.00 0.00 C ATOM 1855 O GLY A 121 -9.688 11.921 7.312 1.00 0.00 O ATOM 0 H GLY A 121 -10.884 9.080 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.802 11.360 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.821 11.322 6.079 1.00 0.00 H new ATOM 1859 N ASP A 122 -8.758 10.142 6.297 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.529 10.199 7.080 1.00 0.00 C ATOM 1861 C ASP A 122 -6.356 9.624 6.293 1.00 0.00 C ATOM 1862 O ASP A 122 -6.543 8.978 5.262 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.701 9.435 8.394 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.077 9.628 9.000 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -10.024 8.946 8.553 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -9.207 10.459 9.923 1.00 0.00 O ATOM 0 H ASP A 122 -8.788 9.386 5.613 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.316 11.245 7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.530 8.373 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.944 9.766 9.105 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.145 9.865 6.785 1.00 0.00 N ATOM 1872 CA VAL A 123 -3.940 9.372 6.128 1.00 0.00 C ATOM 1873 C VAL A 123 -3.461 8.071 6.763 1.00 0.00 C ATOM 1874 O VAL A 123 -2.624 8.081 7.667 1.00 0.00 O ATOM 1875 CB VAL A 123 -2.803 10.409 6.189 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.130 11.612 5.317 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.548 10.836 7.626 1.00 0.00 C ATOM 0 H VAL A 123 -4.972 10.399 7.637 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.200 9.190 5.085 1.00 0.00 H new ATOM 0 HB VAL A 123 -1.893 9.948 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.315 12.334 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.258 11.289 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.051 12.077 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.742 11.569 7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.454 11.279 8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.266 9.966 8.219 1.00 0.00 H new ATOM 1887 N CYS A 124 -3.997 6.954 6.284 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.624 5.643 6.805 1.00 0.00 C ATOM 1889 C CYS A 124 -3.331 4.669 5.669 1.00 0.00 C ATOM 1890 O CYS A 124 -4.235 4.008 5.156 1.00 0.00 O ATOM 1891 CB CYS A 124 -4.739 5.089 7.694 1.00 0.00 C ATOM 1892 SG CYS A 124 -4.920 5.949 9.274 1.00 0.00 S ATOM 0 H CYS A 124 -4.691 6.929 5.537 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.719 5.760 7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.683 5.145 7.152 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.545 4.034 7.887 1.00 0.00 H new ATOM 0 HG CYS A 124 -5.888 5.410 9.953 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.064 4.587 5.278 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.653 3.695 4.202 1.00 0.00 C ATOM 1900 C ILE A 125 -1.289 2.315 4.740 1.00 0.00 C ATOM 1901 O ILE A 125 -1.326 1.323 4.012 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.450 4.265 3.427 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.863 5.517 2.651 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.118 3.214 2.484 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -2.037 5.294 1.723 1.00 0.00 C ATOM 0 H ILE A 125 -1.304 5.128 5.691 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.502 3.606 3.525 1.00 0.00 H new ATOM 0 HB ILE A 125 0.326 4.542 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.115 6.307 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.012 5.871 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.967 3.631 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.444 2.347 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.650 2.909 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.274 6.224 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.782 4.527 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.902 4.970 2.302 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.939 2.259 6.021 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.570 1.001 6.659 1.00 0.00 C ATOM 1919 C LEU A 126 -1.799 0.126 6.888 1.00 0.00 C ATOM 1920 O LEU A 126 -1.819 -1.044 6.508 1.00 0.00 O ATOM 1921 CB LEU A 126 0.135 1.268 7.990 1.00 0.00 C ATOM 1922 CG LEU A 126 1.545 1.851 7.896 1.00 0.00 C ATOM 1923 CD1 LEU A 126 1.974 2.428 9.236 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.531 0.789 7.432 1.00 0.00 C ATOM 0 H LEU A 126 -0.903 3.071 6.638 1.00 0.00 H new ATOM 0 HA LEU A 126 0.112 0.471 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.481 1.951 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.187 0.332 8.545 1.00 0.00 H new ATOM 0 HG LEU A 126 1.536 2.657 7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.980 2.838 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.283 3.219 9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.966 1.641 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.530 1.222 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.537 -0.038 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.234 0.421 6.450 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.822 0.702 7.510 1.00 0.00 N ATOM 1937 CA ASN A 127 -4.055 -0.025 7.788 1.00 0.00 C ATOM 1938 C ASN A 127 -4.393 -0.980 6.647 1.00 0.00 C ATOM 1939 O ASN A 127 -5.010 -2.023 6.860 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.211 0.955 8.007 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.249 1.497 9.423 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -4.484 2.394 9.776 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -6.142 0.952 10.241 1.00 0.00 N ATOM 0 H ASN A 127 -2.822 1.670 7.831 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.906 -0.610 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.118 1.784 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -6.154 0.455 7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -6.214 1.275 11.206 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.756 0.210 9.904 1.00 0.00 H new ATOM 1950 N ALA A 128 -3.983 -0.616 5.437 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.239 -1.441 4.263 1.00 0.00 C ATOM 1952 C ALA A 128 -3.282 -2.627 4.207 1.00 0.00 C ATOM 1953 O ALA A 128 -3.705 -3.783 4.252 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.124 -0.607 2.996 1.00 0.00 C ATOM 0 H ALA A 128 -3.472 0.245 5.244 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.255 -1.830 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.318 -1.236 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.852 0.203 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.120 -0.190 2.925 1.00 0.00 H new ATOM 1960 N THR A 129 -1.989 -2.335 4.107 1.00 0.00 N ATOM 1961 CA THR A 129 -0.973 -3.377 4.042 1.00 0.00 C ATOM 1962 C THR A 129 -1.258 -4.486 5.048 1.00 0.00 C ATOM 1963 O THR A 129 -0.950 -5.652 4.803 1.00 0.00 O ATOM 1964 CB THR A 129 0.434 -2.807 4.308 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.509 -2.291 5.642 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.769 -1.706 3.313 1.00 0.00 C ATOM 0 H THR A 129 -1.621 -1.384 4.069 1.00 0.00 H new ATOM 0 HA THR A 129 -1.006 -3.788 3.033 1.00 0.00 H new ATOM 0 HB THR A 129 1.157 -3.614 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.337 -1.853 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.767 -1.319 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.740 -2.109 2.301 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.041 -0.900 3.404 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.848 -4.115 6.180 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.174 -5.081 7.223 1.00 0.00 C ATOM 1976 C GLU A 130 -3.384 -5.922 6.826 1.00 0.00 C ATOM 1977 O GLU A 130 -3.438 -7.120 7.104 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.451 -4.362 8.545 1.00 0.00 C ATOM 1979 CG GLU A 130 -1.216 -3.730 9.164 1.00 0.00 C ATOM 1980 CD GLU A 130 -0.274 -4.755 9.765 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -0.663 -5.408 10.756 1.00 0.00 O ATOM 1982 OE2 GLU A 130 0.852 -4.904 9.245 1.00 0.00 O ATOM 0 H GLU A 130 -2.110 -3.154 6.398 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.318 -5.744 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.200 -3.588 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.879 -5.072 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.686 -3.157 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.522 -3.026 9.938 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.352 -5.286 6.176 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.561 -5.976 5.741 1.00 0.00 C ATOM 1991 C TRP A 131 -5.271 -6.891 4.556 1.00 0.00 C ATOM 1992 O TRP A 131 -6.031 -7.817 4.274 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.644 -4.962 5.365 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.927 -5.599 4.924 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -9.071 -5.731 5.659 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -8.195 -6.193 3.649 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -10.034 -6.371 4.916 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.522 -6.664 3.680 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.444 -6.370 2.484 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -10.111 -7.300 2.591 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -8.030 -7.002 1.404 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -9.353 -7.461 1.463 1.00 0.00 C ATOM 0 H TRP A 131 -4.323 -4.294 5.939 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.917 -6.588 6.569 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.842 -4.318 6.222 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.271 -4.322 4.565 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.200 -5.384 6.674 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.978 -6.592 5.234 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.424 -6.019 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -11.130 -7.654 2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.459 -7.145 0.499 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.782 -7.951 0.602 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.166 -6.625 3.867 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.774 -7.426 2.713 1.00 0.00 C ATOM 2015 C VAL A 132 -3.077 -8.711 3.146 1.00 0.00 C ATOM 2016 O VAL A 132 -3.604 -9.808 2.962 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.840 -6.639 1.775 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.176 -7.574 0.775 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.608 -5.539 1.059 1.00 0.00 C ATOM 0 H VAL A 132 -3.527 -5.862 4.088 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.689 -7.676 2.176 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.059 -6.174 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.520 -7.000 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.591 -8.322 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.941 -8.070 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.932 -4.993 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.411 -5.981 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.031 -4.854 1.793 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.889 -8.566 3.724 1.00 0.00 N ATOM 2030 CA ARG A 133 -1.118 -9.715 4.184 1.00 0.00 C ATOM 2031 C ARG A 133 -2.037 -10.794 4.751 1.00 0.00 C ATOM 2032 O ARG A 133 -1.738 -11.985 4.664 1.00 0.00 O ATOM 2033 CB ARG A 133 -0.104 -9.285 5.245 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.740 -8.669 6.481 1.00 0.00 C ATOM 2035 CD ARG A 133 0.239 -8.614 7.643 1.00 0.00 C ATOM 2036 NE ARG A 133 0.482 -9.936 8.216 1.00 0.00 N ATOM 2037 CZ ARG A 133 1.416 -10.180 9.129 1.00 0.00 C ATOM 2038 NH1 ARG A 133 2.190 -9.198 9.570 1.00 0.00 N ATOM 2039 NH2 ARG A 133 1.576 -11.409 9.603 1.00 0.00 N ATOM 0 H ARG A 133 -1.440 -7.665 3.885 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.584 -10.129 3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.486 -10.151 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.587 -8.565 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.088 -7.662 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.616 -9.251 6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.182 -8.187 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.151 -7.950 8.415 1.00 0.00 H new ATOM 0 HE ARG A 133 -0.097 -10.713 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.069 -8.252 9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.906 -9.389 10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 133 0.982 -12.167 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.293 -11.596 10.304 1.00 0.00 H new ATOM 2053 N GLU A 134 -3.154 -10.368 5.331 1.00 0.00 N ATOM 2054 CA GLU A 134 -4.115 -11.298 5.913 1.00 0.00 C ATOM 2055 C GLU A 134 -4.992 -11.921 4.831 1.00 0.00 C ATOM 2056 O GLU A 134 -4.992 -13.138 4.640 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.989 -10.583 6.945 1.00 0.00 C ATOM 2058 CG GLU A 134 -4.381 -10.548 8.337 1.00 0.00 C ATOM 2059 CD GLU A 134 -5.428 -10.433 9.429 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -6.149 -11.424 9.667 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -5.525 -9.351 10.044 1.00 0.00 O ATOM 0 H GLU A 134 -3.416 -9.385 5.411 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.559 -12.094 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -5.169 -9.561 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.959 -11.079 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.794 -11.453 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -3.693 -9.705 8.408 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.741 -11.079 4.127 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.624 -11.546 3.064 1.00 0.00 C ATOM 2070 C HIS A 135 -5.821 -12.151 1.917 1.00 0.00 C ATOM 2071 O HIS A 135 -6.048 -13.295 1.523 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.488 -10.395 2.546 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.777 -10.232 3.290 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.070 -9.531 4.411 1.00 0.00 N flip ATOM 2075 CD2 HIS A 135 -9.954 -10.833 2.898 1.00 0.00 C flip ATOM 2076 CE1 HIS A 135 -10.405 -9.719 4.671 1.00 0.00 C flip ATOM 2077 NE2 HIS A 135 -10.916 -10.508 3.743 1.00 0.00 N flip ATOM 0 H HIS A 135 -5.754 -10.070 4.273 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.272 -12.319 3.478 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.920 -9.467 2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.705 -10.561 1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -10.071 -11.471 2.034 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -10.949 -9.291 5.500 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -11.887 -10.814 3.688 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.882 -11.375 1.385 1.00 0.00 N ATOM 2087 CA ALA A 136 -4.045 -11.835 0.284 1.00 0.00 C ATOM 2088 C ALA A 136 -3.763 -13.330 0.396 1.00 0.00 C ATOM 2089 O ALA A 136 -4.233 -14.122 -0.421 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.741 -11.052 0.250 1.00 0.00 C ATOM 0 H ALA A 136 -4.682 -10.425 1.699 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.585 -11.662 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.126 -11.406 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.956 -9.992 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.205 -11.196 1.188 1.00 0.00 H new ATOM 2096 N SER A 137 -2.993 -13.708 1.411 1.00 0.00 N ATOM 2097 CA SER A 137 -2.645 -15.108 1.626 1.00 0.00 C ATOM 2098 C SER A 137 -3.845 -16.012 1.367 1.00 0.00 C ATOM 2099 O SER A 137 -3.717 -17.074 0.760 1.00 0.00 O ATOM 2100 CB SER A 137 -2.135 -15.314 3.054 1.00 0.00 C ATOM 2101 OG SER A 137 -1.114 -14.383 3.371 1.00 0.00 O ATOM 0 H SER A 137 -2.598 -13.065 2.097 1.00 0.00 H new ATOM 0 HA SER A 137 -1.855 -15.373 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.961 -15.206 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.753 -16.329 3.164 1.00 0.00 H new ATOM 0 HG SER A 137 -1.506 -13.612 3.831 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.014 -15.582 1.833 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.222 -16.363 1.643 1.00 0.00 C ATOM 2109 C GLY A 138 -6.614 -16.478 0.183 1.00 0.00 C ATOM 2110 O GLY A 138 -6.867 -17.576 -0.314 1.00 0.00 O ATOM 0 H GLY A 138 -5.146 -14.706 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.075 -17.361 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.039 -15.905 2.200 1.00 0.00 H new ATOM 2114 N TYR A 139 -6.668 -15.343 -0.504 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.037 -15.320 -1.915 1.00 0.00 C ATOM 2116 C TYR A 139 -6.199 -16.315 -2.713 1.00 0.00 C ATOM 2117 O TYR A 139 -6.729 -17.103 -3.496 1.00 0.00 O ATOM 2118 CB TYR A 139 -6.860 -13.913 -2.487 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.023 -12.991 -2.197 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.184 -13.045 -2.958 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.960 -12.065 -1.163 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.249 -12.204 -2.697 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -9.020 -11.221 -0.894 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.162 -11.294 -1.664 1.00 0.00 C ATOM 2125 OH TYR A 139 -11.220 -10.455 -1.400 1.00 0.00 O ATOM 0 H TYR A 139 -6.461 -14.426 -0.107 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.085 -15.608 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -5.949 -13.475 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -6.723 -13.983 -3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.255 -13.756 -3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -7.067 -12.004 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.144 -12.259 -3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.955 -10.508 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.997 -9.877 -0.641 1.00 0.00 H new ATOM 2135 N VAL A 140 -4.887 -16.271 -2.508 1.00 0.00 N ATOM 2136 CA VAL A 140 -3.974 -17.169 -3.206 1.00 0.00 C ATOM 2137 C VAL A 140 -4.353 -18.627 -2.974 1.00 0.00 C ATOM 2138 O VAL A 140 -4.413 -19.090 -1.835 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.517 -16.950 -2.756 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.555 -17.664 -3.693 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.200 -15.464 -2.683 1.00 0.00 C ATOM 0 H VAL A 140 -4.432 -15.623 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.056 -16.940 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.395 -17.373 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.531 -17.498 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -1.769 -18.733 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.675 -17.274 -4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.167 -15.328 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -2.338 -15.014 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.867 -14.984 -1.967 1.00 0.00 H new