USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 111 ASN : amide:sc= 0.0375 K(o=2.1,f=-2.4) USER MOD Set 1.2: A 112 ASN : amide:sc= 2.09 K(o=2.1,f=-1.1) USER MOD Set 2.1: A 6 SER OG : rot 48:sc= 0.308 USER MOD Set 2.2: A 54 MET CE :methyl -175:sc= -0.366 (180deg=-0.399) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -172:sc= 2.33 (180deg=1.1) USER MOD Set 3.2: A 52 ASN : amide:sc= -0.0831! C(o=2.2!,f=-7.5!) USER MOD Single : A 7 THR OG1 : rot 33:sc= 1.36 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0855 K(o=-0.085,f=-1.9) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.2) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 131:sc= 0.794 (180deg=0.0405) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.0579 (180deg=-0.368) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= -0.0126 (180deg=-0.11) USER MOD Single : A 42 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 44 MET CE :methyl 151:sc= 0 (180deg=-0.0441) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.09) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.405 K(o=0.41,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -0.0824 X(o=-0.082,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.71) USER MOD Single : A 74 HIS : no HE2:sc= 0.544 K(o=0.54,f=-1.7!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0596 (180deg=-0.382) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.034 (180deg=-0.308) USER MOD Single : A 92 ASN : amide:sc= 0.196 K(o=0.2,f=-5.3!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 1 USER MOD Single : A 95 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.23) USER MOD Single : A 96 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.7) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= -0.0374 (180deg=-0.315) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 166:sc= -0.0281 (180deg=-0.198) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0047 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -34:sc= 1.26 USER MOD Single : A 121 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0965) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.290 9.905 -4.567 1.00 0.00 N ATOM 86 CA SER A 6 4.974 10.343 -4.153 1.00 0.00 C ATOM 87 C SER A 6 4.979 10.777 -2.689 1.00 0.00 C ATOM 88 O SER A 6 4.904 9.944 -1.784 1.00 0.00 O ATOM 89 CB SER A 6 3.968 9.216 -4.376 1.00 0.00 C ATOM 90 OG SER A 6 4.434 8.006 -3.805 1.00 0.00 O ATOM 0 HA SER A 6 4.685 11.205 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.009 9.486 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.800 9.078 -5.444 1.00 0.00 H new ATOM 0 HG SER A 6 4.747 8.174 -2.892 1.00 0.00 H new ATOM 96 N THR A 7 5.100 12.078 -2.464 1.00 0.00 N ATOM 97 CA THR A 7 5.026 12.626 -1.121 1.00 0.00 C ATOM 98 C THR A 7 3.560 12.737 -0.689 1.00 0.00 C ATOM 99 O THR A 7 2.658 12.337 -1.430 1.00 0.00 O ATOM 100 CB THR A 7 5.729 14.007 -1.031 1.00 0.00 C ATOM 101 OG1 THR A 7 5.884 14.402 0.340 1.00 0.00 O ATOM 102 CG2 THR A 7 4.949 15.085 -1.772 1.00 0.00 C ATOM 0 H THR A 7 5.250 12.772 -3.196 1.00 0.00 H new ATOM 0 HA THR A 7 5.550 11.950 -0.445 1.00 0.00 H new ATOM 0 HB THR A 7 6.707 13.900 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.015 13.606 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.473 16.037 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.861 14.813 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.954 15.178 -1.337 1.00 0.00 H new ATOM 110 N THR A 8 3.333 13.274 0.503 1.00 0.00 N ATOM 111 CA THR A 8 1.995 13.389 1.065 1.00 0.00 C ATOM 112 C THR A 8 1.014 14.053 0.098 1.00 0.00 C ATOM 113 O THR A 8 -0.057 13.510 -0.170 1.00 0.00 O ATOM 114 CB THR A 8 2.027 14.180 2.382 1.00 0.00 C ATOM 115 OG1 THR A 8 2.916 13.545 3.316 1.00 0.00 O ATOM 116 CG2 THR A 8 0.636 14.277 2.977 1.00 0.00 C ATOM 0 H THR A 8 4.070 13.641 1.105 1.00 0.00 H new ATOM 0 HA THR A 8 1.647 12.373 1.253 1.00 0.00 H new ATOM 0 HB THR A 8 2.388 15.187 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.932 14.056 4.152 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.677 14.840 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.025 14.785 2.275 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.254 13.275 3.175 1.00 0.00 H new ATOM 124 N GLU A 9 1.385 15.216 -0.429 1.00 0.00 N ATOM 125 CA GLU A 9 0.509 15.957 -1.327 1.00 0.00 C ATOM 126 C GLU A 9 0.139 15.129 -2.559 1.00 0.00 C ATOM 127 O GLU A 9 -1.034 15.044 -2.924 1.00 0.00 O ATOM 128 CB GLU A 9 1.154 17.275 -1.752 1.00 0.00 C ATOM 129 CG GLU A 9 0.268 18.113 -2.654 1.00 0.00 C ATOM 130 CD GLU A 9 0.867 19.463 -2.971 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.619 19.570 -3.963 1.00 0.00 O ATOM 132 OE2 GLU A 9 0.587 20.429 -2.234 1.00 0.00 O ATOM 0 H GLU A 9 2.284 15.664 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.407 16.176 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.404 17.852 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.090 17.063 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.089 17.573 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.701 18.254 -2.175 1.00 0.00 H new ATOM 139 N ASP A 10 1.136 14.509 -3.189 1.00 0.00 N ATOM 140 CA ASP A 10 0.889 13.655 -4.349 1.00 0.00 C ATOM 141 C ASP A 10 -0.060 12.527 -3.979 1.00 0.00 C ATOM 142 O ASP A 10 -0.968 12.198 -4.739 1.00 0.00 O ATOM 143 CB ASP A 10 2.184 13.057 -4.907 1.00 0.00 C ATOM 144 CG ASP A 10 3.139 14.102 -5.436 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.072 14.417 -6.643 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.969 14.606 -4.656 1.00 0.00 O ATOM 0 H ASP A 10 2.117 14.581 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 10 0.442 14.283 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.680 12.484 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.939 12.358 -5.707 1.00 0.00 H new ATOM 151 N LEU A 11 0.145 11.956 -2.799 1.00 0.00 N ATOM 152 CA LEU A 11 -0.687 10.862 -2.323 1.00 0.00 C ATOM 153 C LEU A 11 -2.134 11.314 -2.146 1.00 0.00 C ATOM 154 O LEU A 11 -3.066 10.606 -2.528 1.00 0.00 O ATOM 155 CB LEU A 11 -0.135 10.293 -1.013 1.00 0.00 C ATOM 156 CG LEU A 11 -0.987 9.199 -0.384 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.051 7.995 -1.305 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.430 8.812 0.976 1.00 0.00 C ATOM 0 H LEU A 11 0.883 12.235 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.669 10.073 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.863 9.896 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.027 11.107 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.999 9.577 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.663 7.218 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.492 8.289 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.045 7.612 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.049 8.029 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.590 8.446 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.431 9.683 1.631 1.00 0.00 H new ATOM 170 N GLN A 12 -2.315 12.509 -1.598 1.00 0.00 N ATOM 171 CA GLN A 12 -3.649 13.040 -1.366 1.00 0.00 C ATOM 172 C GLN A 12 -4.328 13.368 -2.691 1.00 0.00 C ATOM 173 O GLN A 12 -5.552 13.295 -2.816 1.00 0.00 O ATOM 174 CB GLN A 12 -3.572 14.272 -0.472 1.00 0.00 C ATOM 175 CG GLN A 12 -3.020 13.959 0.909 1.00 0.00 C ATOM 176 CD GLN A 12 -3.926 13.041 1.711 1.00 0.00 C ATOM 177 OE1 GLN A 12 -5.143 13.069 1.563 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.337 12.216 2.563 1.00 0.00 N ATOM 0 H GLN A 12 -1.557 13.126 -1.307 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.249 12.284 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.943 15.024 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.567 14.706 -0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.039 13.495 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.876 14.890 1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.322 12.221 2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.899 11.575 3.123 1.00 0.00 H new ATOM 187 N ARG A 13 -3.514 13.714 -3.679 1.00 0.00 N ATOM 188 CA ARG A 13 -3.993 13.990 -5.026 1.00 0.00 C ATOM 189 C ARG A 13 -4.589 12.731 -5.654 1.00 0.00 C ATOM 190 O ARG A 13 -5.714 12.750 -6.162 1.00 0.00 O ATOM 191 CB ARG A 13 -2.845 14.500 -5.895 1.00 0.00 C ATOM 192 CG ARG A 13 -3.266 14.876 -7.303 1.00 0.00 C ATOM 193 CD ARG A 13 -2.062 15.136 -8.193 1.00 0.00 C ATOM 194 NE ARG A 13 -1.159 16.144 -7.632 1.00 0.00 N ATOM 195 CZ ARG A 13 0.156 15.973 -7.488 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.727 14.829 -7.851 1.00 0.00 N ATOM 197 NH2 ARG A 13 0.903 16.951 -6.988 1.00 0.00 N ATOM 0 H ARG A 13 -2.505 13.811 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.769 14.753 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.396 15.370 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.073 13.732 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.869 14.075 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.895 15.766 -7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.515 14.205 -8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.404 15.464 -9.175 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.561 17.032 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.159 14.077 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.733 14.703 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.471 17.833 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.909 16.820 -6.878 1.00 0.00 H new ATOM 211 N TYR A 14 -3.826 11.638 -5.606 1.00 0.00 N ATOM 212 CA TYR A 14 -4.259 10.367 -6.180 1.00 0.00 C ATOM 213 C TYR A 14 -5.489 9.835 -5.458 1.00 0.00 C ATOM 214 O TYR A 14 -6.351 9.201 -6.071 1.00 0.00 O ATOM 215 CB TYR A 14 -3.151 9.316 -6.103 1.00 0.00 C ATOM 216 CG TYR A 14 -1.840 9.734 -6.734 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.811 10.364 -7.973 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.631 9.484 -6.096 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.613 10.737 -8.554 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.569 9.856 -6.671 1.00 0.00 C ATOM 221 CZ TYR A 14 0.572 10.481 -7.898 1.00 0.00 C ATOM 222 OH TYR A 14 1.767 10.849 -8.473 1.00 0.00 O ATOM 0 H TYR A 14 -2.903 11.610 -5.174 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.502 10.557 -7.226 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.973 9.071 -5.056 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.499 8.404 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.738 10.565 -8.489 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.629 8.991 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.606 11.226 -9.517 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.500 9.658 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 14 2.506 10.598 -7.881 1.00 0.00 H new ATOM 232 N ARG A 15 -5.556 10.093 -4.155 1.00 0.00 N ATOM 233 CA ARG A 15 -6.671 9.640 -3.332 1.00 0.00 C ATOM 234 C ARG A 15 -8.002 10.034 -3.961 1.00 0.00 C ATOM 235 O ARG A 15 -8.908 9.214 -4.083 1.00 0.00 O ATOM 236 CB ARG A 15 -6.549 10.224 -1.914 1.00 0.00 C ATOM 237 CG ARG A 15 -7.876 10.659 -1.300 1.00 0.00 C ATOM 238 CD ARG A 15 -7.683 11.685 -0.192 1.00 0.00 C ATOM 239 NE ARG A 15 -7.293 12.990 -0.725 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.608 14.152 -0.155 1.00 0.00 C ATOM 241 NH1 ARG A 15 -8.312 14.173 0.973 1.00 0.00 N ATOM 242 NH2 ARG A 15 -7.219 15.293 -0.713 1.00 0.00 N ATOM 0 H ARG A 15 -4.845 10.617 -3.644 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.637 8.552 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.088 9.479 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.877 11.081 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.514 11.080 -2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.394 9.787 -0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.608 11.786 0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.920 11.332 0.502 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.746 13.012 -1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.612 13.298 1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.552 15.064 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.679 15.280 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.460 16.183 -0.276 1.00 0.00 H new ATOM 256 N THR A 16 -8.091 11.288 -4.388 1.00 0.00 N ATOM 257 CA THR A 16 -9.311 11.832 -4.957 1.00 0.00 C ATOM 258 C THR A 16 -9.716 11.096 -6.226 1.00 0.00 C ATOM 259 O THR A 16 -10.875 10.702 -6.380 1.00 0.00 O ATOM 260 CB THR A 16 -9.128 13.325 -5.270 1.00 0.00 C ATOM 261 OG1 THR A 16 -9.031 14.070 -4.049 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.267 13.853 -6.126 1.00 0.00 C ATOM 0 H THR A 16 -7.319 11.953 -4.348 1.00 0.00 H new ATOM 0 HA THR A 16 -10.103 11.702 -4.219 1.00 0.00 H new ATOM 0 HB THR A 16 -8.205 13.446 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.913 15.021 -4.254 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.108 14.912 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.300 13.303 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.211 13.723 -5.596 1.00 0.00 H new ATOM 270 N GLU A 17 -8.756 10.903 -7.122 1.00 0.00 N ATOM 271 CA GLU A 17 -9.029 10.282 -8.412 1.00 0.00 C ATOM 272 C GLU A 17 -9.549 8.859 -8.221 1.00 0.00 C ATOM 273 O GLU A 17 -10.355 8.372 -9.010 1.00 0.00 O ATOM 274 CB GLU A 17 -7.775 10.270 -9.297 1.00 0.00 C ATOM 275 CG GLU A 17 -6.876 11.483 -9.112 1.00 0.00 C ATOM 276 CD GLU A 17 -5.766 11.549 -10.142 1.00 0.00 C ATOM 277 OE1 GLU A 17 -4.887 10.663 -10.143 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.773 12.486 -10.966 1.00 0.00 O ATOM 0 H GLU A 17 -7.781 11.168 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.795 10.875 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.200 9.369 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.081 10.213 -10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.478 12.390 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.439 11.458 -8.114 1.00 0.00 H new ATOM 285 N CYS A 18 -9.098 8.204 -7.161 1.00 0.00 N ATOM 286 CA CYS A 18 -9.572 6.865 -6.839 1.00 0.00 C ATOM 287 C CYS A 18 -10.893 6.917 -6.077 1.00 0.00 C ATOM 288 O CYS A 18 -11.765 6.072 -6.273 1.00 0.00 O ATOM 289 CB CYS A 18 -8.526 6.103 -6.030 1.00 0.00 C ATOM 290 SG CYS A 18 -7.010 5.731 -6.967 1.00 0.00 S ATOM 0 H CYS A 18 -8.406 8.576 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.741 6.338 -7.778 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.264 6.688 -5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.962 5.169 -5.675 1.00 0.00 H new ATOM 295 N VAL A 19 -11.046 7.928 -5.230 1.00 0.00 N ATOM 296 CA VAL A 19 -12.245 8.081 -4.421 1.00 0.00 C ATOM 297 C VAL A 19 -13.454 8.376 -5.294 1.00 0.00 C ATOM 298 O VAL A 19 -14.459 7.666 -5.242 1.00 0.00 O ATOM 299 CB VAL A 19 -12.076 9.190 -3.354 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.421 9.749 -2.916 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.320 8.646 -2.155 1.00 0.00 C ATOM 0 H VAL A 19 -10.348 8.658 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.407 7.136 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.506 10.004 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.266 10.525 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.936 10.174 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.026 8.949 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.206 9.433 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.875 7.814 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.336 8.300 -2.472 1.00 0.00 H new ATOM 311 N SER A 20 -13.332 9.401 -6.117 1.00 0.00 N ATOM 312 CA SER A 20 -14.427 9.833 -6.965 1.00 0.00 C ATOM 313 C SER A 20 -14.725 8.799 -8.064 1.00 0.00 C ATOM 314 O SER A 20 -15.798 8.817 -8.665 1.00 0.00 O ATOM 315 CB SER A 20 -14.082 11.194 -7.572 1.00 0.00 C ATOM 316 OG SER A 20 -15.217 11.805 -8.167 1.00 0.00 O ATOM 0 H SER A 20 -12.480 9.953 -6.216 1.00 0.00 H new ATOM 0 HA SER A 20 -15.329 9.925 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.681 11.847 -6.797 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.300 11.071 -8.321 1.00 0.00 H new ATOM 0 HG SER A 20 -14.962 12.673 -8.543 1.00 0.00 H new ATOM 322 N SER A 21 -13.780 7.895 -8.315 1.00 0.00 N ATOM 323 CA SER A 21 -13.950 6.880 -9.347 1.00 0.00 C ATOM 324 C SER A 21 -14.584 5.609 -8.770 1.00 0.00 C ATOM 325 O SER A 21 -15.544 5.078 -9.328 1.00 0.00 O ATOM 326 CB SER A 21 -12.593 6.554 -9.979 1.00 0.00 C ATOM 327 OG SER A 21 -12.731 5.730 -11.125 1.00 0.00 O ATOM 0 H SER A 21 -12.891 7.846 -7.818 1.00 0.00 H new ATOM 0 HA SER A 21 -14.620 7.273 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.089 7.480 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.961 6.054 -9.245 1.00 0.00 H new ATOM 0 HG SER A 21 -11.846 5.544 -11.503 1.00 0.00 H new ATOM 333 N LEU A 22 -14.058 5.132 -7.641 1.00 0.00 N ATOM 334 CA LEU A 22 -14.502 3.866 -7.062 1.00 0.00 C ATOM 335 C LEU A 22 -15.748 4.029 -6.193 1.00 0.00 C ATOM 336 O LEU A 22 -16.132 3.103 -5.474 1.00 0.00 O ATOM 337 CB LEU A 22 -13.377 3.247 -6.232 1.00 0.00 C ATOM 338 CG LEU A 22 -12.189 2.733 -7.036 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.044 2.377 -6.108 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.595 1.527 -7.859 1.00 0.00 C ATOM 0 H LEU A 22 -13.325 5.603 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.762 3.208 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.020 3.991 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.787 2.421 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.857 3.520 -7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.201 2.011 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.740 3.262 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.367 1.602 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.737 1.170 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.946 0.736 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.395 1.807 -8.545 1.00 0.00 H new ATOM 352 N ASN A 23 -16.372 5.203 -6.273 1.00 0.00 N ATOM 353 CA ASN A 23 -17.566 5.517 -5.482 1.00 0.00 C ATOM 354 C ASN A 23 -17.289 5.353 -3.984 1.00 0.00 C ATOM 355 O ASN A 23 -18.119 4.840 -3.233 1.00 0.00 O ATOM 356 CB ASN A 23 -18.742 4.633 -5.914 1.00 0.00 C ATOM 357 CG ASN A 23 -20.068 5.071 -5.315 1.00 0.00 C ATOM 358 OD1 ASN A 23 -20.278 6.253 -5.036 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.973 4.125 -5.118 1.00 0.00 N ATOM 0 H ASN A 23 -16.068 5.961 -6.884 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.831 6.559 -5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.819 4.647 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.541 3.602 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -21.882 4.364 -4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.761 3.158 -5.362 1.00 0.00 H new ATOM 366 N ILE A 24 -16.106 5.780 -3.556 1.00 0.00 N ATOM 367 CA ILE A 24 -15.730 5.704 -2.156 1.00 0.00 C ATOM 368 C ILE A 24 -16.466 6.775 -1.354 1.00 0.00 C ATOM 369 O ILE A 24 -16.333 7.968 -1.636 1.00 0.00 O ATOM 370 CB ILE A 24 -14.209 5.891 -1.969 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.423 4.980 -2.925 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.816 5.617 -0.522 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.641 3.500 -2.696 1.00 0.00 C ATOM 0 H ILE A 24 -15.392 6.183 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.007 4.713 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.959 6.925 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.702 5.222 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.360 5.198 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.741 5.753 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.343 6.309 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.083 4.593 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.050 2.930 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.334 3.239 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.697 3.263 -2.827 1.00 0.00 H new ATOM 385 N PRO A 25 -17.264 6.357 -0.358 1.00 0.00 N ATOM 386 CA PRO A 25 -17.998 7.280 0.512 1.00 0.00 C ATOM 387 C PRO A 25 -17.058 8.202 1.275 1.00 0.00 C ATOM 388 O PRO A 25 -15.981 7.794 1.720 1.00 0.00 O ATOM 389 CB PRO A 25 -18.743 6.362 1.484 1.00 0.00 C ATOM 390 CG PRO A 25 -18.742 5.018 0.852 1.00 0.00 C ATOM 391 CD PRO A 25 -17.507 4.952 -0.002 1.00 0.00 C ATOM 0 HA PRO A 25 -18.660 7.933 -0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.249 6.338 2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.761 6.714 1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.734 4.233 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.639 4.871 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.665 4.524 0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.663 4.334 -0.887 1.00 0.00 H new ATOM 399 N ALA A 26 -17.489 9.453 1.415 1.00 0.00 N ATOM 400 CA ALA A 26 -16.716 10.486 2.096 1.00 0.00 C ATOM 401 C ALA A 26 -16.323 10.057 3.503 1.00 0.00 C ATOM 402 O ALA A 26 -15.254 10.418 3.987 1.00 0.00 O ATOM 403 CB ALA A 26 -17.516 11.772 2.151 1.00 0.00 C ATOM 0 H ALA A 26 -18.387 9.779 1.058 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.799 10.648 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.935 12.541 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.745 12.102 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.445 11.600 2.695 1.00 0.00 H new ATOM 409 N ASP A 27 -17.201 9.296 4.153 1.00 0.00 N ATOM 410 CA ASP A 27 -16.930 8.767 5.491 1.00 0.00 C ATOM 411 C ASP A 27 -15.656 7.923 5.498 1.00 0.00 C ATOM 412 O ASP A 27 -14.802 8.080 6.370 1.00 0.00 O ATOM 413 CB ASP A 27 -18.112 7.935 5.985 1.00 0.00 C ATOM 414 CG ASP A 27 -17.886 7.377 7.380 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.813 8.173 8.340 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.796 6.142 7.525 1.00 0.00 O ATOM 0 H ASP A 27 -18.110 9.030 3.774 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.786 9.612 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.011 8.551 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.288 7.112 5.292 1.00 0.00 H new ATOM 421 N TYR A 28 -15.528 7.033 4.512 1.00 0.00 N ATOM 422 CA TYR A 28 -14.333 6.212 4.368 1.00 0.00 C ATOM 423 C TYR A 28 -13.090 7.072 4.159 1.00 0.00 C ATOM 424 O TYR A 28 -12.024 6.772 4.691 1.00 0.00 O ATOM 425 CB TYR A 28 -14.497 5.227 3.209 1.00 0.00 C ATOM 426 CG TYR A 28 -15.292 3.996 3.587 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.658 2.793 3.881 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.677 4.039 3.659 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.385 1.671 4.232 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.410 2.923 4.009 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.761 1.742 4.294 1.00 0.00 C ATOM 432 OH TYR A 28 -17.489 0.629 4.644 1.00 0.00 O ATOM 0 H TYR A 28 -16.241 6.865 3.802 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.202 5.650 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.991 5.731 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.512 4.922 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.581 2.735 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.191 4.963 3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.878 0.744 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.488 2.976 4.059 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.444 0.849 4.641 1.00 0.00 H new ATOM 442 N VAL A 29 -13.244 8.147 3.396 1.00 0.00 N ATOM 443 CA VAL A 29 -12.149 9.066 3.115 1.00 0.00 C ATOM 444 C VAL A 29 -11.575 9.658 4.406 1.00 0.00 C ATOM 445 O VAL A 29 -10.357 9.777 4.563 1.00 0.00 O ATOM 446 CB VAL A 29 -12.617 10.199 2.187 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.477 11.153 1.880 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.193 9.622 0.907 1.00 0.00 C ATOM 0 H VAL A 29 -14.127 8.405 2.956 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.363 8.498 2.617 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.397 10.763 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.833 11.946 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.108 11.590 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.670 10.609 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.521 10.434 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.429 9.035 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.043 8.983 1.146 1.00 0.00 H new ATOM 458 N GLU A 30 -12.462 10.015 5.330 1.00 0.00 N ATOM 459 CA GLU A 30 -12.054 10.578 6.617 1.00 0.00 C ATOM 460 C GLU A 30 -11.328 9.533 7.464 1.00 0.00 C ATOM 461 O GLU A 30 -10.459 9.869 8.272 1.00 0.00 O ATOM 462 CB GLU A 30 -13.264 11.108 7.375 1.00 0.00 C ATOM 463 CG GLU A 30 -14.251 11.823 6.475 1.00 0.00 C ATOM 464 CD GLU A 30 -15.395 12.448 7.238 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.284 13.633 7.618 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.412 11.762 7.461 1.00 0.00 O ATOM 0 H GLU A 30 -13.471 9.925 5.213 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.369 11.403 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.767 10.279 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.928 11.792 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.728 12.598 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.649 11.116 5.747 1.00 0.00 H new ATOM 473 N LYS A 31 -11.695 8.269 7.277 1.00 0.00 N ATOM 474 CA LYS A 31 -11.024 7.166 7.964 1.00 0.00 C ATOM 475 C LYS A 31 -9.567 7.083 7.531 1.00 0.00 C ATOM 476 O LYS A 31 -8.663 7.010 8.360 1.00 0.00 O ATOM 477 CB LYS A 31 -11.693 5.827 7.664 1.00 0.00 C ATOM 478 CG LYS A 31 -13.159 5.758 8.050 1.00 0.00 C ATOM 479 CD LYS A 31 -13.728 4.372 7.782 1.00 0.00 C ATOM 480 CE LYS A 31 -15.251 4.394 7.722 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.861 4.824 9.005 1.00 0.00 N ATOM 0 H LYS A 31 -12.452 7.981 6.657 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.092 7.366 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.600 5.619 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.154 5.039 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.273 6.004 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.723 6.502 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.331 3.991 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.404 3.687 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.571 5.067 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.616 3.400 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.571 5.562 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.318 4.009 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.122 5.202 9.631 1.00 0.00 H new ATOM 495 N PHE A 32 -9.355 7.105 6.218 1.00 0.00 N ATOM 496 CA PHE A 32 -8.025 6.951 5.639 1.00 0.00 C ATOM 497 C PHE A 32 -7.089 8.066 6.093 1.00 0.00 C ATOM 498 O PHE A 32 -5.896 7.845 6.293 1.00 0.00 O ATOM 499 CB PHE A 32 -8.112 6.922 4.112 1.00 0.00 C ATOM 500 CG PHE A 32 -9.099 5.916 3.582 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.886 6.208 2.478 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.245 4.681 4.192 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.797 5.284 1.995 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.153 3.758 3.715 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.928 4.058 2.616 1.00 0.00 C ATOM 0 H PHE A 32 -10.097 7.229 5.529 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.614 6.004 5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.389 7.913 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.126 6.700 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.787 7.166 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.640 4.437 5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.404 5.522 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.256 2.800 4.203 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.637 3.335 2.241 1.00 0.00 H new ATOM 515 N LYS A 33 -7.637 9.263 6.269 1.00 0.00 N ATOM 516 CA LYS A 33 -6.861 10.390 6.769 1.00 0.00 C ATOM 517 C LYS A 33 -6.351 10.093 8.178 1.00 0.00 C ATOM 518 O LYS A 33 -5.254 10.510 8.561 1.00 0.00 O ATOM 519 CB LYS A 33 -7.707 11.663 6.789 1.00 0.00 C ATOM 520 CG LYS A 33 -6.862 12.918 6.901 1.00 0.00 C ATOM 521 CD LYS A 33 -7.711 14.177 6.885 1.00 0.00 C ATOM 522 CE LYS A 33 -6.846 15.426 6.869 1.00 0.00 C ATOM 523 NZ LYS A 33 -6.012 15.505 5.639 1.00 0.00 N ATOM 0 H LYS A 33 -8.615 9.477 6.073 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.013 10.542 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.306 11.712 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.402 11.621 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.282 12.884 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.149 12.950 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.359 14.170 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.359 14.192 7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.482 16.309 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.200 15.432 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.676 16.481 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.196 14.867 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.581 15.222 4.815 1.00 0.00 H new ATOM 537 N LYS A 34 -7.152 9.357 8.938 1.00 0.00 N ATOM 538 CA LYS A 34 -6.790 8.979 10.300 1.00 0.00 C ATOM 539 C LYS A 34 -6.031 7.654 10.322 1.00 0.00 C ATOM 540 O LYS A 34 -5.912 7.019 11.370 1.00 0.00 O ATOM 541 CB LYS A 34 -8.047 8.880 11.175 1.00 0.00 C ATOM 542 CG LYS A 34 -8.663 10.227 11.517 1.00 0.00 C ATOM 543 CD LYS A 34 -7.712 11.084 12.336 1.00 0.00 C ATOM 544 CE LYS A 34 -8.363 12.384 12.779 1.00 0.00 C ATOM 545 NZ LYS A 34 -8.803 13.216 11.630 1.00 0.00 N ATOM 0 H LYS A 34 -8.061 9.008 8.633 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.135 9.752 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.790 8.271 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.795 8.361 12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.927 10.751 10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.588 10.074 12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.382 10.526 13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.823 11.305 11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.222 12.160 13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.658 12.952 13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.115 14.146 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.011 13.340 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.591 12.745 11.142 1.00 0.00 H new ATOM 559 N TRP A 35 -5.510 7.258 9.160 1.00 0.00 N ATOM 560 CA TRP A 35 -4.791 5.994 8.999 1.00 0.00 C ATOM 561 C TRP A 35 -5.625 4.794 9.451 1.00 0.00 C ATOM 562 O TRP A 35 -5.103 3.843 10.035 1.00 0.00 O ATOM 563 CB TRP A 35 -3.461 6.036 9.751 1.00 0.00 C ATOM 564 CG TRP A 35 -2.472 6.986 9.148 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.267 8.289 9.501 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.559 6.712 8.079 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.278 8.837 8.722 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.829 7.890 7.841 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.286 5.583 7.301 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.156 7.973 6.858 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.310 5.664 6.328 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.402 6.850 6.113 1.00 0.00 C ATOM 0 H TRP A 35 -5.575 7.806 8.302 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.594 5.867 7.935 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.645 6.322 10.786 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.029 5.035 9.769 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.804 8.812 10.279 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.934 9.795 8.789 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.829 4.663 7.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.704 8.888 6.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.092 4.797 5.722 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.160 6.880 5.345 1.00 0.00 H new ATOM 583 N GLU A 36 -6.916 4.837 9.158 1.00 0.00 N ATOM 584 CA GLU A 36 -7.818 3.748 9.493 1.00 0.00 C ATOM 585 C GLU A 36 -8.339 3.089 8.228 1.00 0.00 C ATOM 586 O GLU A 36 -9.111 3.682 7.475 1.00 0.00 O ATOM 587 CB GLU A 36 -8.985 4.246 10.341 1.00 0.00 C ATOM 588 CG GLU A 36 -8.577 4.672 11.739 1.00 0.00 C ATOM 589 CD GLU A 36 -7.977 3.535 12.540 1.00 0.00 C ATOM 590 OE1 GLU A 36 -8.724 2.610 12.926 1.00 0.00 O ATOM 591 OE2 GLU A 36 -6.758 3.561 12.800 1.00 0.00 O ATOM 0 H GLU A 36 -7.364 5.622 8.685 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.261 3.014 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.457 5.089 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.734 3.457 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.854 5.485 11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.448 5.063 12.265 1.00 0.00 H new ATOM 598 N PHE A 37 -7.900 1.867 7.994 1.00 0.00 N ATOM 599 CA PHE A 37 -8.289 1.132 6.799 1.00 0.00 C ATOM 600 C PHE A 37 -9.080 -0.116 7.173 1.00 0.00 C ATOM 601 O PHE A 37 -8.496 -1.173 7.414 1.00 0.00 O ATOM 602 CB PHE A 37 -7.042 0.738 5.995 1.00 0.00 C ATOM 603 CG PHE A 37 -6.128 1.896 5.707 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.183 2.290 6.640 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.215 2.593 4.511 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.342 3.355 6.388 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.377 3.659 4.255 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.440 4.042 5.195 1.00 0.00 C ATOM 0 H PHE A 37 -7.272 1.358 8.616 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.921 1.776 6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.489 -0.024 6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.354 0.287 5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.103 1.757 7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.946 2.298 3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.608 3.650 7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.454 4.194 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.785 4.878 4.997 1.00 0.00 H new ATOM 618 N PRO A 38 -10.418 -0.008 7.258 1.00 0.00 N ATOM 619 CA PRO A 38 -11.281 -1.158 7.545 1.00 0.00 C ATOM 620 C PRO A 38 -11.085 -2.292 6.551 1.00 0.00 C ATOM 621 O PRO A 38 -10.856 -2.063 5.359 1.00 0.00 O ATOM 622 CB PRO A 38 -12.692 -0.590 7.423 1.00 0.00 C ATOM 623 CG PRO A 38 -12.531 0.862 7.697 1.00 0.00 C ATOM 624 CD PRO A 38 -11.200 1.232 7.097 1.00 0.00 C ATOM 0 HA PRO A 38 -11.063 -1.590 8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.106 -0.763 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.371 -1.056 8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.339 1.439 7.248 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.550 1.065 8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.293 1.519 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.740 2.072 7.618 1.00 0.00 H new ATOM 632 N GLU A 39 -11.171 -3.509 7.052 1.00 0.00 N ATOM 633 CA GLU A 39 -11.032 -4.696 6.227 1.00 0.00 C ATOM 634 C GLU A 39 -12.321 -4.933 5.438 1.00 0.00 C ATOM 635 O GLU A 39 -13.146 -5.777 5.789 1.00 0.00 O ATOM 636 CB GLU A 39 -10.682 -5.894 7.113 1.00 0.00 C ATOM 637 CG GLU A 39 -10.336 -7.159 6.348 1.00 0.00 C ATOM 638 CD GLU A 39 -9.885 -8.281 7.259 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.723 -8.722 7.139 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.691 -8.720 8.104 1.00 0.00 O ATOM 0 H GLU A 39 -11.339 -3.704 8.039 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.224 -4.559 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.838 -5.626 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.525 -6.102 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.206 -7.485 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.547 -6.940 5.628 1.00 0.00 H new ATOM 647 N ASP A 40 -12.479 -4.164 4.370 1.00 0.00 N ATOM 648 CA ASP A 40 -13.701 -4.170 3.571 1.00 0.00 C ATOM 649 C ASP A 40 -13.373 -3.976 2.094 1.00 0.00 C ATOM 650 O ASP A 40 -12.389 -3.308 1.775 1.00 0.00 O ATOM 651 CB ASP A 40 -14.650 -3.060 4.048 1.00 0.00 C ATOM 652 CG ASP A 40 -15.928 -2.976 3.232 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.933 -2.301 2.184 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.943 -3.582 3.645 1.00 0.00 O ATOM 0 H ASP A 40 -11.766 -3.518 4.031 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.192 -5.135 3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.905 -3.233 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.132 -2.102 4.000 1.00 0.00 H new ATOM 659 N ASP A 41 -14.179 -4.556 1.208 1.00 0.00 N ATOM 660 CA ASP A 41 -13.927 -4.494 -0.240 1.00 0.00 C ATOM 661 C ASP A 41 -13.670 -3.061 -0.709 1.00 0.00 C ATOM 662 O ASP A 41 -12.750 -2.812 -1.498 1.00 0.00 O ATOM 663 CB ASP A 41 -15.107 -5.082 -1.021 1.00 0.00 C ATOM 664 CG ASP A 41 -14.867 -5.081 -2.519 1.00 0.00 C ATOM 665 OD1 ASP A 41 -14.146 -5.973 -3.009 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.405 -4.193 -3.215 1.00 0.00 O ATOM 0 H ASP A 41 -15.017 -5.078 1.463 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.032 -5.085 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.289 -6.103 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -16.007 -4.509 -0.800 1.00 0.00 H new ATOM 671 N THR A 42 -14.467 -2.131 -0.195 1.00 0.00 N ATOM 672 CA THR A 42 -14.368 -0.725 -0.561 1.00 0.00 C ATOM 673 C THR A 42 -12.943 -0.202 -0.377 1.00 0.00 C ATOM 674 O THR A 42 -12.316 0.291 -1.322 1.00 0.00 O ATOM 675 CB THR A 42 -15.324 0.107 0.306 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.610 -0.522 0.361 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.460 1.515 -0.240 1.00 0.00 C ATOM 0 H THR A 42 -15.199 -2.331 0.486 1.00 0.00 H new ATOM 0 HA THR A 42 -14.639 -0.633 -1.613 1.00 0.00 H new ATOM 0 HB THR A 42 -14.910 0.166 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.689 -1.033 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.142 2.085 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.483 1.998 -0.248 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.853 1.475 -1.256 1.00 0.00 H new ATOM 685 N THR A 43 -12.442 -0.330 0.843 1.00 0.00 N ATOM 686 CA THR A 43 -11.095 0.098 1.186 1.00 0.00 C ATOM 687 C THR A 43 -10.046 -0.641 0.354 1.00 0.00 C ATOM 688 O THR A 43 -9.021 -0.070 -0.026 1.00 0.00 O ATOM 689 CB THR A 43 -10.824 -0.154 2.680 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.856 0.453 3.472 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.469 0.401 3.095 1.00 0.00 C ATOM 0 H THR A 43 -12.959 -0.734 1.624 1.00 0.00 H new ATOM 0 HA THR A 43 -11.022 1.164 0.970 1.00 0.00 H new ATOM 0 HB THR A 43 -10.819 -1.231 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.771 0.157 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.306 0.208 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.684 -0.082 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.445 1.476 2.914 1.00 0.00 H new ATOM 699 N MET A 44 -10.322 -1.903 0.051 1.00 0.00 N ATOM 700 CA MET A 44 -9.371 -2.751 -0.654 1.00 0.00 C ATOM 701 C MET A 44 -9.107 -2.238 -2.067 1.00 0.00 C ATOM 702 O MET A 44 -7.954 -2.044 -2.458 1.00 0.00 O ATOM 703 CB MET A 44 -9.879 -4.192 -0.703 1.00 0.00 C ATOM 704 CG MET A 44 -10.047 -4.813 0.671 1.00 0.00 C ATOM 705 SD MET A 44 -10.737 -6.474 0.616 1.00 0.00 S ATOM 706 CE MET A 44 -10.822 -6.828 2.369 1.00 0.00 C ATOM 0 H MET A 44 -11.202 -2.363 0.284 1.00 0.00 H new ATOM 0 HA MET A 44 -8.430 -2.723 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.836 -4.216 -1.225 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.183 -4.796 -1.285 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.078 -4.845 1.170 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.695 -4.177 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.642 -7.520 2.561 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.884 -7.277 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 44 -10.992 -5.903 2.919 1.00 0.00 H new ATOM 716 N CYS A 45 -10.171 -2.010 -2.828 1.00 0.00 N ATOM 717 CA CYS A 45 -10.027 -1.504 -4.191 1.00 0.00 C ATOM 718 C CYS A 45 -9.453 -0.094 -4.183 1.00 0.00 C ATOM 719 O CYS A 45 -8.750 0.300 -5.113 1.00 0.00 O ATOM 720 CB CYS A 45 -11.361 -1.531 -4.946 1.00 0.00 C ATOM 721 SG CYS A 45 -11.997 -3.209 -5.275 1.00 0.00 S ATOM 0 H CYS A 45 -11.134 -2.165 -2.530 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.334 -2.163 -4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.104 -0.979 -4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.240 -1.007 -5.894 1.00 0.00 H new ATOM 726 N TYR A 46 -9.741 0.660 -3.125 1.00 0.00 N ATOM 727 CA TYR A 46 -9.186 1.993 -2.977 1.00 0.00 C ATOM 728 C TYR A 46 -7.666 1.926 -2.931 1.00 0.00 C ATOM 729 O TYR A 46 -6.982 2.611 -3.690 1.00 0.00 O ATOM 730 CB TYR A 46 -9.737 2.659 -1.715 1.00 0.00 C ATOM 731 CG TYR A 46 -8.964 3.892 -1.291 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.005 5.056 -2.050 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.197 3.893 -0.129 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.308 6.183 -1.664 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.493 5.019 0.259 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.553 6.160 -0.512 1.00 0.00 C ATOM 737 OH TYR A 46 -6.871 7.291 -0.126 1.00 0.00 O ATOM 0 H TYR A 46 -10.353 0.368 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.478 2.595 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.778 2.934 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.727 1.936 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.592 5.079 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.151 3.001 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.354 7.080 -2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.900 5.004 1.161 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.387 7.113 0.707 1.00 0.00 H new ATOM 747 N ILE A 47 -7.154 1.071 -2.052 1.00 0.00 N ATOM 748 CA ILE A 47 -5.719 0.876 -1.907 1.00 0.00 C ATOM 749 C ILE A 47 -5.095 0.444 -3.228 1.00 0.00 C ATOM 750 O ILE A 47 -4.046 0.948 -3.622 1.00 0.00 O ATOM 751 CB ILE A 47 -5.402 -0.175 -0.818 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.826 0.339 0.566 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.922 -0.547 -0.831 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.162 1.639 0.973 1.00 0.00 C ATOM 0 H ILE A 47 -7.719 0.498 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.291 1.832 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.974 -1.076 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.907 0.477 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.596 -0.423 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.726 -1.288 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.660 -0.962 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.321 0.343 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.515 1.934 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.081 1.503 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.412 2.417 0.252 1.00 0.00 H new ATOM 766 N LYS A 48 -5.767 -0.467 -3.918 1.00 0.00 N ATOM 767 CA LYS A 48 -5.266 -1.007 -5.167 1.00 0.00 C ATOM 768 C LYS A 48 -5.143 0.098 -6.214 1.00 0.00 C ATOM 769 O LYS A 48 -4.128 0.204 -6.905 1.00 0.00 O ATOM 770 CB LYS A 48 -6.201 -2.122 -5.655 1.00 0.00 C ATOM 771 CG LYS A 48 -5.651 -2.939 -6.817 1.00 0.00 C ATOM 772 CD LYS A 48 -5.951 -2.293 -8.157 1.00 0.00 C ATOM 773 CE LYS A 48 -5.448 -3.144 -9.307 1.00 0.00 C ATOM 774 NZ LYS A 48 -5.807 -2.558 -10.622 1.00 0.00 N ATOM 0 H LYS A 48 -6.668 -0.848 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.273 -1.427 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.412 -2.793 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.150 -1.678 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.573 -3.053 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.081 -3.940 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.026 -2.142 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.485 -1.308 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.365 -3.246 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.868 -4.147 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.568 -3.230 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.827 -2.358 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.278 -1.674 -10.764 1.00 0.00 H new ATOM 788 N CYS A 49 -6.178 0.920 -6.315 1.00 0.00 N ATOM 789 CA CYS A 49 -6.198 2.014 -7.279 1.00 0.00 C ATOM 790 C CYS A 49 -5.057 3.004 -7.045 1.00 0.00 C ATOM 791 O CYS A 49 -4.350 3.367 -7.987 1.00 0.00 O ATOM 792 CB CYS A 49 -7.545 2.737 -7.244 1.00 0.00 C ATOM 793 SG CYS A 49 -7.593 4.263 -8.247 1.00 0.00 S ATOM 0 H CYS A 49 -7.018 0.851 -5.740 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.055 1.577 -8.267 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.320 2.057 -7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.786 2.986 -6.210 1.00 0.00 H new ATOM 798 N VAL A 50 -4.858 3.435 -5.795 1.00 0.00 N ATOM 799 CA VAL A 50 -3.819 4.414 -5.507 1.00 0.00 C ATOM 800 C VAL A 50 -2.443 3.767 -5.633 1.00 0.00 C ATOM 801 O VAL A 50 -1.469 4.434 -5.964 1.00 0.00 O ATOM 802 CB VAL A 50 -3.966 5.118 -4.122 1.00 0.00 C ATOM 803 CG1 VAL A 50 -5.423 5.254 -3.721 1.00 0.00 C ATOM 804 CG2 VAL A 50 -3.171 4.433 -3.022 1.00 0.00 C ATOM 0 H VAL A 50 -5.394 3.125 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.934 5.203 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.544 6.116 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.489 5.748 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.952 5.847 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.876 4.265 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.313 4.968 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.516 3.405 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.113 4.434 -3.283 1.00 0.00 H new ATOM 814 N PHE A 51 -2.374 2.459 -5.403 1.00 0.00 N ATOM 815 CA PHE A 51 -1.127 1.725 -5.567 1.00 0.00 C ATOM 816 C PHE A 51 -0.744 1.668 -7.048 1.00 0.00 C ATOM 817 O PHE A 51 0.433 1.568 -7.402 1.00 0.00 O ATOM 818 CB PHE A 51 -1.253 0.318 -4.976 1.00 0.00 C ATOM 819 CG PHE A 51 -0.746 0.195 -3.563 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.868 1.245 -2.667 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.151 -0.980 -3.132 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.407 1.126 -1.370 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.312 -1.104 -1.836 1.00 0.00 C ATOM 824 CZ PHE A 51 0.184 -0.049 -0.954 1.00 0.00 C ATOM 0 H PHE A 51 -3.165 1.889 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.335 2.245 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.300 0.018 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.705 -0.380 -5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.329 2.168 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.048 -1.809 -3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.509 1.952 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.774 -2.025 -1.513 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.546 -0.144 0.059 1.00 0.00 H new ATOM 834 N ASN A 52 -1.755 1.741 -7.907 1.00 0.00 N ATOM 835 CA ASN A 52 -1.539 1.869 -9.350 1.00 0.00 C ATOM 836 C ASN A 52 -1.110 3.288 -9.679 1.00 0.00 C ATOM 837 O ASN A 52 -0.186 3.512 -10.460 1.00 0.00 O ATOM 838 CB ASN A 52 -2.813 1.533 -10.140 1.00 0.00 C ATOM 839 CG ASN A 52 -2.956 0.057 -10.466 1.00 0.00 C ATOM 840 OD1 ASN A 52 -4.062 -0.482 -10.461 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.854 -0.596 -10.802 1.00 0.00 N ATOM 0 H ASN A 52 -2.737 1.714 -7.631 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.759 1.163 -9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.682 1.855 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.815 2.103 -11.069 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.905 -1.579 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.954 -0.116 -10.794 1.00 0.00 H new ATOM 848 N LYS A 53 -1.788 4.239 -9.049 1.00 0.00 N ATOM 849 CA LYS A 53 -1.545 5.662 -9.264 1.00 0.00 C ATOM 850 C LYS A 53 -0.134 6.059 -8.850 1.00 0.00 C ATOM 851 O LYS A 53 0.468 6.953 -9.441 1.00 0.00 O ATOM 852 CB LYS A 53 -2.558 6.480 -8.463 1.00 0.00 C ATOM 853 CG LYS A 53 -3.934 6.594 -9.112 1.00 0.00 C ATOM 854 CD LYS A 53 -3.920 7.519 -10.320 1.00 0.00 C ATOM 855 CE LYS A 53 -5.295 7.618 -10.955 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.353 8.701 -11.969 1.00 0.00 N ATOM 0 H LYS A 53 -2.525 4.045 -8.371 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.655 5.864 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.672 6.029 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.158 7.482 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.274 5.604 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.651 6.965 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.585 8.511 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.204 7.151 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.549 6.667 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.041 7.803 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.330 8.807 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.036 9.594 -11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.733 8.461 -12.769 1.00 0.00 H new ATOM 870 N MET A 54 0.382 5.388 -7.832 1.00 0.00 N ATOM 871 CA MET A 54 1.682 5.718 -7.274 1.00 0.00 C ATOM 872 C MET A 54 2.794 4.914 -7.937 1.00 0.00 C ATOM 873 O MET A 54 3.968 5.068 -7.603 1.00 0.00 O ATOM 874 CB MET A 54 1.673 5.466 -5.768 1.00 0.00 C ATOM 875 CG MET A 54 0.755 6.406 -5.010 1.00 0.00 C ATOM 876 SD MET A 54 0.438 5.868 -3.320 1.00 0.00 S ATOM 877 CE MET A 54 1.989 6.270 -2.529 1.00 0.00 C ATOM 0 H MET A 54 -0.085 4.606 -7.373 1.00 0.00 H new ATOM 0 HA MET A 54 1.878 6.773 -7.466 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.365 4.438 -5.580 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.687 5.570 -5.383 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.198 7.402 -4.992 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.192 6.489 -5.543 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.976 5.913 -1.499 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.807 5.792 -3.068 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.132 7.351 -2.536 1.00 0.00 H new ATOM 887 N GLN A 55 2.400 4.068 -8.895 1.00 0.00 N ATOM 888 CA GLN A 55 3.323 3.188 -9.605 1.00 0.00 C ATOM 889 C GLN A 55 4.060 2.262 -8.641 1.00 0.00 C ATOM 890 O GLN A 55 5.280 2.117 -8.703 1.00 0.00 O ATOM 891 CB GLN A 55 4.313 4.003 -10.438 1.00 0.00 C ATOM 892 CG GLN A 55 3.768 4.395 -11.799 1.00 0.00 C ATOM 893 CD GLN A 55 4.765 5.178 -12.633 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.565 4.597 -13.371 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.717 6.497 -12.537 1.00 0.00 N ATOM 0 H GLN A 55 1.430 3.977 -9.197 1.00 0.00 H new ATOM 0 HA GLN A 55 2.737 2.565 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.584 4.905 -9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.227 3.425 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.477 3.495 -12.341 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.866 4.992 -11.665 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.040 6.939 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.357 7.072 -13.085 1.00 0.00 H new ATOM 904 N LEU A 56 3.302 1.626 -7.761 1.00 0.00 N ATOM 905 CA LEU A 56 3.880 0.810 -6.704 1.00 0.00 C ATOM 906 C LEU A 56 3.342 -0.620 -6.741 1.00 0.00 C ATOM 907 O LEU A 56 3.891 -1.523 -6.108 1.00 0.00 O ATOM 908 CB LEU A 56 3.603 1.472 -5.347 1.00 0.00 C ATOM 909 CG LEU A 56 4.763 2.305 -4.796 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.361 3.016 -3.511 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.977 1.430 -4.548 1.00 0.00 C ATOM 0 H LEU A 56 2.283 1.659 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 56 4.957 0.745 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.726 2.112 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.354 0.696 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 56 5.018 3.058 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.203 3.601 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.519 3.678 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.074 2.278 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.791 2.040 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.725 0.654 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.289 0.966 -5.484 1.00 0.00 H new ATOM 923 N PHE A 57 2.271 -0.819 -7.496 1.00 0.00 N ATOM 924 CA PHE A 57 1.656 -2.133 -7.638 1.00 0.00 C ATOM 925 C PHE A 57 1.233 -2.333 -9.085 1.00 0.00 C ATOM 926 O PHE A 57 0.788 -1.389 -9.745 1.00 0.00 O ATOM 927 CB PHE A 57 0.447 -2.260 -6.692 1.00 0.00 C ATOM 928 CG PHE A 57 -0.282 -3.576 -6.767 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.159 -4.673 -6.044 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.423 -3.708 -7.546 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.519 -5.874 -6.099 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.103 -4.909 -7.605 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.650 -5.993 -6.881 1.00 0.00 C ATOM 0 H PHE A 57 1.806 -0.081 -8.024 1.00 0.00 H new ATOM 0 HA PHE A 57 2.376 -2.905 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.788 -2.108 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.257 -1.458 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.044 -4.587 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.783 -2.862 -8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.164 -6.721 -5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.988 -5.000 -8.217 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.180 -6.933 -6.926 1.00 0.00 H new ATOM 943 N ASP A 58 1.397 -3.545 -9.582 1.00 0.00 N ATOM 944 CA ASP A 58 1.011 -3.875 -10.946 1.00 0.00 C ATOM 945 C ASP A 58 0.037 -5.045 -10.953 1.00 0.00 C ATOM 946 O ASP A 58 0.112 -5.936 -10.108 1.00 0.00 O ATOM 947 CB ASP A 58 2.246 -4.210 -11.791 1.00 0.00 C ATOM 948 CG ASP A 58 1.876 -4.697 -13.179 1.00 0.00 C ATOM 949 OD1 ASP A 58 2.177 -5.862 -13.507 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.250 -3.926 -13.939 1.00 0.00 O ATOM 0 H ASP A 58 1.798 -4.324 -9.059 1.00 0.00 H new ATOM 0 HA ASP A 58 0.519 -3.006 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.878 -3.326 -11.875 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.834 -4.975 -11.284 1.00 0.00 H new ATOM 955 N ASP A 59 -0.875 -5.027 -11.922 1.00 0.00 N ATOM 956 CA ASP A 59 -1.931 -6.035 -12.037 1.00 0.00 C ATOM 957 C ASP A 59 -1.354 -7.413 -12.333 1.00 0.00 C ATOM 958 O ASP A 59 -2.008 -8.431 -12.109 1.00 0.00 O ATOM 959 CB ASP A 59 -2.912 -5.656 -13.147 1.00 0.00 C ATOM 960 CG ASP A 59 -3.565 -4.305 -12.931 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.615 -4.246 -12.261 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.039 -3.294 -13.444 1.00 0.00 O ATOM 0 H ASP A 59 -0.905 -4.314 -12.651 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.452 -6.071 -11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.386 -5.650 -14.102 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.686 -6.420 -13.215 1.00 0.00 H new ATOM 967 N THR A 60 -0.139 -7.432 -12.861 1.00 0.00 N ATOM 968 CA THR A 60 0.539 -8.670 -13.192 1.00 0.00 C ATOM 969 C THR A 60 1.619 -9.017 -12.160 1.00 0.00 C ATOM 970 O THR A 60 1.494 -10.003 -11.433 1.00 0.00 O ATOM 971 CB THR A 60 1.169 -8.572 -14.594 1.00 0.00 C ATOM 972 OG1 THR A 60 0.138 -8.490 -15.588 1.00 0.00 O ATOM 973 CG2 THR A 60 2.083 -9.750 -14.881 1.00 0.00 C ATOM 0 H THR A 60 0.400 -6.592 -13.070 1.00 0.00 H new ATOM 0 HA THR A 60 -0.205 -9.467 -13.182 1.00 0.00 H new ATOM 0 HB THR A 60 1.777 -7.668 -14.627 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.545 -8.426 -16.477 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.509 -9.646 -15.879 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.886 -9.775 -14.145 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.511 -10.676 -14.826 1.00 0.00 H new ATOM 981 N GLU A 61 2.665 -8.195 -12.091 1.00 0.00 N ATOM 982 CA GLU A 61 3.822 -8.478 -11.243 1.00 0.00 C ATOM 983 C GLU A 61 3.494 -8.355 -9.755 1.00 0.00 C ATOM 984 O GLU A 61 4.276 -8.788 -8.904 1.00 0.00 O ATOM 985 CB GLU A 61 4.974 -7.533 -11.575 1.00 0.00 C ATOM 986 CG GLU A 61 5.159 -7.276 -13.055 1.00 0.00 C ATOM 987 CD GLU A 61 6.331 -6.356 -13.336 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.482 -6.841 -13.373 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.111 -5.137 -13.515 1.00 0.00 O ATOM 0 H GLU A 61 2.735 -7.323 -12.615 1.00 0.00 H new ATOM 0 HA GLU A 61 4.112 -9.509 -11.446 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.805 -6.581 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.898 -7.948 -11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.312 -8.224 -13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.249 -6.836 -13.462 1.00 0.00 H new ATOM 996 N GLY A 62 2.351 -7.764 -9.433 1.00 0.00 N ATOM 997 CA GLY A 62 2.005 -7.560 -8.041 1.00 0.00 C ATOM 998 C GLY A 62 2.753 -6.386 -7.440 1.00 0.00 C ATOM 999 O GLY A 62 3.000 -5.394 -8.125 1.00 0.00 O ATOM 0 H GLY A 62 1.663 -7.425 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.932 -7.390 -7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.231 -8.463 -7.474 1.00 0.00 H new ATOM 1003 N PRO A 63 3.109 -6.465 -6.149 1.00 0.00 N ATOM 1004 CA PRO A 63 3.894 -5.425 -5.480 1.00 0.00 C ATOM 1005 C PRO A 63 5.255 -5.233 -6.142 1.00 0.00 C ATOM 1006 O PRO A 63 6.045 -6.174 -6.251 1.00 0.00 O ATOM 1007 CB PRO A 63 4.066 -5.949 -4.046 1.00 0.00 C ATOM 1008 CG PRO A 63 3.010 -6.987 -3.874 1.00 0.00 C ATOM 1009 CD PRO A 63 2.762 -7.567 -5.241 1.00 0.00 C ATOM 0 HA PRO A 63 3.402 -4.453 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.060 -6.372 -3.899 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.950 -5.146 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.334 -7.760 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.099 -6.551 -3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.380 -8.446 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.724 -7.876 -5.364 1.00 0.00 H new ATOM 1017 N LEU A 64 5.516 -4.015 -6.592 1.00 0.00 N ATOM 1018 CA LEU A 64 6.774 -3.697 -7.254 1.00 0.00 C ATOM 1019 C LEU A 64 7.850 -3.431 -6.217 1.00 0.00 C ATOM 1020 O LEU A 64 8.054 -2.295 -5.795 1.00 0.00 O ATOM 1021 CB LEU A 64 6.609 -2.486 -8.175 1.00 0.00 C ATOM 1022 CG LEU A 64 5.447 -2.600 -9.162 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.261 -1.306 -9.937 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.689 -3.757 -10.111 1.00 0.00 C ATOM 0 H LEU A 64 4.872 -3.228 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 64 7.073 -4.549 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.464 -1.596 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.533 -2.341 -8.735 1.00 0.00 H new ATOM 0 HG LEU A 64 4.532 -2.787 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.428 -1.415 -10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.050 -0.493 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.171 -1.081 -10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.858 -3.833 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.614 -3.588 -10.662 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.770 -4.683 -9.542 1.00 0.00 H new ATOM 1036 N VAL A 65 8.525 -4.503 -5.824 1.00 0.00 N ATOM 1037 CA VAL A 65 9.501 -4.483 -4.740 1.00 0.00 C ATOM 1038 C VAL A 65 10.531 -3.364 -4.893 1.00 0.00 C ATOM 1039 O VAL A 65 10.837 -2.668 -3.930 1.00 0.00 O ATOM 1040 CB VAL A 65 10.228 -5.835 -4.632 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.334 -5.785 -3.590 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.235 -6.937 -4.307 1.00 0.00 C ATOM 0 H VAL A 65 8.410 -5.421 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 65 8.937 -4.294 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 65 10.691 -6.051 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.829 -6.755 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.061 -5.022 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.907 -5.543 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.760 -7.889 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.746 -6.718 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.486 -6.996 -5.096 1.00 0.00 H new ATOM 1052 N ASP A 66 11.052 -3.184 -6.100 1.00 0.00 N ATOM 1053 CA ASP A 66 12.082 -2.171 -6.340 1.00 0.00 C ATOM 1054 C ASP A 66 11.578 -0.769 -6.012 1.00 0.00 C ATOM 1055 O ASP A 66 12.213 -0.039 -5.248 1.00 0.00 O ATOM 1056 CB ASP A 66 12.586 -2.228 -7.781 1.00 0.00 C ATOM 1057 CG ASP A 66 13.607 -3.327 -7.989 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.801 -3.091 -7.714 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.222 -4.441 -8.411 1.00 0.00 O ATOM 0 H ASP A 66 10.783 -3.720 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 66 12.914 -2.396 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.742 -2.387 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.029 -1.268 -8.047 1.00 0.00 H new ATOM 1064 N ASN A 67 10.432 -0.396 -6.571 1.00 0.00 N ATOM 1065 CA ASN A 67 9.838 0.907 -6.285 1.00 0.00 C ATOM 1066 C ASN A 67 9.437 0.995 -4.819 1.00 0.00 C ATOM 1067 O ASN A 67 9.524 2.054 -4.201 1.00 0.00 O ATOM 1068 CB ASN A 67 8.619 1.165 -7.172 1.00 0.00 C ATOM 1069 CG ASN A 67 8.983 1.479 -8.612 1.00 0.00 C ATOM 1070 OD1 ASN A 67 10.017 1.046 -9.119 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.125 2.232 -9.283 1.00 0.00 N ATOM 0 H ASN A 67 9.898 -0.973 -7.221 1.00 0.00 H new ATOM 0 HA ASN A 67 10.587 1.670 -6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.970 0.289 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.047 1.996 -6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.311 2.473 -10.257 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.279 2.571 -8.826 1.00 0.00 H new ATOM 1078 N LEU A 68 9.009 -0.137 -4.273 1.00 0.00 N ATOM 1079 CA LEU A 68 8.595 -0.225 -2.877 1.00 0.00 C ATOM 1080 C LEU A 68 9.740 0.124 -1.939 1.00 0.00 C ATOM 1081 O LEU A 68 9.575 0.909 -1.014 1.00 0.00 O ATOM 1082 CB LEU A 68 8.059 -1.624 -2.573 1.00 0.00 C ATOM 1083 CG LEU A 68 6.597 -1.842 -2.958 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.264 -3.322 -2.977 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.684 -1.113 -1.988 1.00 0.00 C ATOM 0 H LEU A 68 8.939 -1.017 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 68 7.799 0.501 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.672 -2.356 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.173 -1.819 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 68 6.442 -1.440 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.218 -3.456 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.899 -3.829 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.435 -3.746 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.645 -1.276 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.847 -1.493 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.904 -0.046 -2.014 1.00 0.00 H new ATOM 1097 N VAL A 69 10.901 -0.456 -2.191 1.00 0.00 N ATOM 1098 CA VAL A 69 12.090 -0.170 -1.405 1.00 0.00 C ATOM 1099 C VAL A 69 12.541 1.268 -1.623 1.00 0.00 C ATOM 1100 O VAL A 69 12.878 1.970 -0.677 1.00 0.00 O ATOM 1101 CB VAL A 69 13.229 -1.132 -1.771 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.484 -0.793 -0.996 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.813 -2.566 -1.509 1.00 0.00 C ATOM 0 H VAL A 69 11.046 -1.133 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 69 11.839 -0.308 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 69 13.444 -1.022 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.279 -1.486 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.793 0.225 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.285 -0.873 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.631 -3.236 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.571 -2.688 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.937 -2.807 -2.112 1.00 0.00 H new ATOM 1113 N HIS A 70 12.516 1.705 -2.875 1.00 0.00 N ATOM 1114 CA HIS A 70 12.918 3.062 -3.230 1.00 0.00 C ATOM 1115 C HIS A 70 12.048 4.103 -2.516 1.00 0.00 C ATOM 1116 O HIS A 70 12.501 5.206 -2.212 1.00 0.00 O ATOM 1117 CB HIS A 70 12.827 3.238 -4.752 1.00 0.00 C ATOM 1118 CG HIS A 70 13.231 4.597 -5.249 1.00 0.00 C ATOM 1119 ND1 HIS A 70 12.712 5.153 -6.396 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.108 5.509 -4.757 1.00 0.00 C ATOM 1121 CE1 HIS A 70 13.246 6.343 -6.587 1.00 0.00 C ATOM 1122 NE2 HIS A 70 14.095 6.585 -5.609 1.00 0.00 N ATOM 0 H HIS A 70 12.220 1.136 -3.668 1.00 0.00 H new ATOM 0 HA HIS A 70 13.948 3.218 -2.908 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.458 2.488 -5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.802 3.040 -5.067 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.704 5.407 -3.862 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.024 7.009 -7.408 1.00 0.00 H new ATOM 0 HE2 HIS A 70 14.652 7.433 -5.502 1.00 0.00 H new ATOM 1131 N GLN A 71 10.803 3.748 -2.250 1.00 0.00 N ATOM 1132 CA GLN A 71 9.873 4.657 -1.596 1.00 0.00 C ATOM 1133 C GLN A 71 9.942 4.501 -0.080 1.00 0.00 C ATOM 1134 O GLN A 71 10.231 5.455 0.643 1.00 0.00 O ATOM 1135 CB GLN A 71 8.444 4.383 -2.065 1.00 0.00 C ATOM 1136 CG GLN A 71 7.499 5.556 -1.833 1.00 0.00 C ATOM 1137 CD GLN A 71 7.876 6.785 -2.640 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.409 6.683 -3.744 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.611 7.960 -2.090 1.00 0.00 N ATOM 0 H GLN A 71 10.410 2.834 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 71 10.155 5.675 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.458 4.141 -3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.059 3.507 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.484 5.255 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.496 5.810 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.168 8.005 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.850 8.820 -2.584 1.00 0.00 H new ATOM 1148 N LEU A 72 9.677 3.288 0.388 1.00 0.00 N ATOM 1149 CA LEU A 72 9.582 3.004 1.817 1.00 0.00 C ATOM 1150 C LEU A 72 10.890 3.264 2.550 1.00 0.00 C ATOM 1151 O LEU A 72 10.884 3.861 3.622 1.00 0.00 O ATOM 1152 CB LEU A 72 9.130 1.564 2.055 1.00 0.00 C ATOM 1153 CG LEU A 72 7.683 1.275 1.655 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.397 -0.215 1.748 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.715 2.052 2.536 1.00 0.00 C ATOM 0 H LEU A 72 9.522 2.475 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 72 8.836 3.688 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.787 0.895 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.255 1.328 3.112 1.00 0.00 H new ATOM 0 HG LEU A 72 7.543 1.596 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.363 -0.406 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.066 -0.756 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.557 -0.553 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.691 1.832 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.857 1.761 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.903 3.120 2.429 1.00 0.00 H new ATOM 1167 N ALA A 73 12.009 2.832 1.974 1.00 0.00 N ATOM 1168 CA ALA A 73 13.318 3.007 2.599 1.00 0.00 C ATOM 1169 C ALA A 73 13.792 4.464 2.562 1.00 0.00 C ATOM 1170 O ALA A 73 14.989 4.740 2.469 1.00 0.00 O ATOM 1171 CB ALA A 73 14.329 2.100 1.926 1.00 0.00 C ATOM 0 H ALA A 73 12.036 2.356 1.072 1.00 0.00 H new ATOM 0 HA ALA A 73 13.224 2.734 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.305 2.232 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.014 1.062 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.397 2.353 0.868 1.00 0.00 H new ATOM 1177 N HIS A 74 12.846 5.387 2.644 1.00 0.00 N ATOM 1178 CA HIS A 74 13.140 6.813 2.642 1.00 0.00 C ATOM 1179 C HIS A 74 13.763 7.213 3.977 1.00 0.00 C ATOM 1180 O HIS A 74 13.060 7.585 4.918 1.00 0.00 O ATOM 1181 CB HIS A 74 11.854 7.615 2.384 1.00 0.00 C ATOM 1182 CG HIS A 74 12.057 9.093 2.236 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.555 10.011 3.134 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.687 9.814 1.277 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.867 11.230 2.735 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.554 11.138 1.612 1.00 0.00 N ATOM 0 H HIS A 74 11.852 5.169 2.714 1.00 0.00 H new ATOM 0 HA HIS A 74 13.850 7.033 1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.380 7.235 1.479 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.160 7.438 3.206 1.00 0.00 H new ATOM 0 HD1 HIS A 74 11.025 9.784 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.198 9.420 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.605 12.147 3.242 1.00 0.00 H new ATOM 1195 N GLY A 75 15.081 7.107 4.056 1.00 0.00 N ATOM 1196 CA GLY A 75 15.781 7.435 5.278 1.00 0.00 C ATOM 1197 C GLY A 75 16.152 6.201 6.076 1.00 0.00 C ATOM 1198 O GLY A 75 16.408 6.286 7.278 1.00 0.00 O ATOM 0 H GLY A 75 15.680 6.798 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.685 7.995 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.156 8.086 5.889 1.00 0.00 H new ATOM 1202 N ARG A 76 16.187 5.052 5.413 1.00 0.00 N ATOM 1203 CA ARG A 76 16.513 3.795 6.081 1.00 0.00 C ATOM 1204 C ARG A 76 17.260 2.841 5.161 1.00 0.00 C ATOM 1205 O ARG A 76 17.371 3.070 3.955 1.00 0.00 O ATOM 1206 CB ARG A 76 15.251 3.105 6.606 1.00 0.00 C ATOM 1207 CG ARG A 76 15.005 3.317 8.088 1.00 0.00 C ATOM 1208 CD ARG A 76 14.010 2.305 8.633 1.00 0.00 C ATOM 1209 NE ARG A 76 14.421 0.925 8.358 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.566 -0.091 8.195 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.263 0.094 8.359 1.00 0.00 N ATOM 1212 NH2 ARG A 76 14.017 -1.299 7.889 1.00 0.00 N ATOM 0 H ARG A 76 15.994 4.963 4.415 1.00 0.00 H new ATOM 0 HA ARG A 76 17.162 4.048 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.389 3.472 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.325 2.035 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.947 3.233 8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.629 4.326 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.905 2.444 9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.030 2.486 8.191 1.00 0.00 H new ATOM 0 HE ARG A 76 15.419 0.727 8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.907 1.016 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.617 -0.686 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.019 -1.456 7.777 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.363 -2.072 7.765 1.00 0.00 H new ATOM 1226 N ASP A 77 17.775 1.774 5.763 1.00 0.00 N ATOM 1227 CA ASP A 77 18.492 0.724 5.050 1.00 0.00 C ATOM 1228 C ASP A 77 17.572 -0.016 4.093 1.00 0.00 C ATOM 1229 O ASP A 77 16.694 -0.776 4.509 1.00 0.00 O ATOM 1230 CB ASP A 77 19.108 -0.254 6.047 1.00 0.00 C ATOM 1231 CG ASP A 77 20.192 0.378 6.891 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.864 0.967 7.944 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.378 0.289 6.511 1.00 0.00 O ATOM 0 H ASP A 77 17.706 1.613 6.768 1.00 0.00 H new ATOM 0 HA ASP A 77 19.285 1.189 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.326 -0.643 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.524 -1.104 5.506 1.00 0.00 H new ATOM 1238 N ALA A 78 17.800 0.211 2.811 1.00 0.00 N ATOM 1239 CA ALA A 78 16.963 -0.324 1.748 1.00 0.00 C ATOM 1240 C ALA A 78 16.959 -1.847 1.714 1.00 0.00 C ATOM 1241 O ALA A 78 15.923 -2.463 1.475 1.00 0.00 O ATOM 1242 CB ALA A 78 17.441 0.212 0.416 1.00 0.00 C ATOM 0 H ALA A 78 18.579 0.777 2.474 1.00 0.00 H new ATOM 0 HA ALA A 78 15.940 -0.004 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.816 -0.187 -0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.377 1.300 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.475 -0.090 0.252 1.00 0.00 H new ATOM 1248 N GLU A 79 18.112 -2.450 1.960 1.00 0.00 N ATOM 1249 CA GLU A 79 18.249 -3.900 1.844 1.00 0.00 C ATOM 1250 C GLU A 79 17.432 -4.605 2.920 1.00 0.00 C ATOM 1251 O GLU A 79 16.900 -5.694 2.705 1.00 0.00 O ATOM 1252 CB GLU A 79 19.717 -4.304 1.929 1.00 0.00 C ATOM 1253 CG GLU A 79 20.563 -3.708 0.816 1.00 0.00 C ATOM 1254 CD GLU A 79 21.990 -4.201 0.830 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.821 -3.619 1.553 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.291 -5.172 0.108 1.00 0.00 O ATOM 0 H GLU A 79 18.964 -1.964 2.240 1.00 0.00 H new ATOM 0 HA GLU A 79 17.864 -4.206 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.119 -3.989 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.792 -5.391 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.111 -3.950 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.559 -2.622 0.906 1.00 0.00 H new ATOM 1263 N GLU A 80 17.336 -3.972 4.077 1.00 0.00 N ATOM 1264 CA GLU A 80 16.489 -4.462 5.152 1.00 0.00 C ATOM 1265 C GLU A 80 15.019 -4.269 4.790 1.00 0.00 C ATOM 1266 O GLU A 80 14.206 -5.181 4.941 1.00 0.00 O ATOM 1267 CB GLU A 80 16.822 -3.741 6.456 1.00 0.00 C ATOM 1268 CG GLU A 80 18.069 -4.271 7.153 1.00 0.00 C ATOM 1269 CD GLU A 80 19.292 -4.316 6.259 1.00 0.00 C ATOM 1270 OE1 GLU A 80 19.697 -5.429 5.864 1.00 0.00 O ATOM 1271 OE2 GLU A 80 19.850 -3.248 5.938 1.00 0.00 O ATOM 0 H GLU A 80 17.838 -3.112 4.297 1.00 0.00 H new ATOM 0 HA GLU A 80 16.674 -5.527 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.957 -2.679 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.974 -3.828 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.285 -3.645 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.867 -5.274 7.528 1.00 0.00 H new ATOM 1278 N VAL A 81 14.700 -3.077 4.289 1.00 0.00 N ATOM 1279 CA VAL A 81 13.347 -2.754 3.833 1.00 0.00 C ATOM 1280 C VAL A 81 12.860 -3.753 2.780 1.00 0.00 C ATOM 1281 O VAL A 81 11.728 -4.229 2.843 1.00 0.00 O ATOM 1282 CB VAL A 81 13.295 -1.323 3.263 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.946 -1.014 2.635 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.606 -0.332 4.361 1.00 0.00 C ATOM 0 H VAL A 81 15.366 -2.312 4.188 1.00 0.00 H new ATOM 0 HA VAL A 81 12.685 -2.818 4.696 1.00 0.00 H new ATOM 0 HB VAL A 81 14.043 -1.243 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.951 0.004 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.755 -1.713 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.164 -1.111 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.569 0.680 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.871 -0.432 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.602 -0.529 4.758 1.00 0.00 H new ATOM 1294 N ARG A 82 13.729 -4.060 1.818 1.00 0.00 N ATOM 1295 CA ARG A 82 13.446 -5.052 0.784 1.00 0.00 C ATOM 1296 C ARG A 82 12.991 -6.370 1.396 1.00 0.00 C ATOM 1297 O ARG A 82 12.027 -6.981 0.939 1.00 0.00 O ATOM 1298 CB ARG A 82 14.699 -5.273 -0.059 1.00 0.00 C ATOM 1299 CG ARG A 82 14.479 -6.186 -1.246 1.00 0.00 C ATOM 1300 CD ARG A 82 15.770 -6.392 -2.013 1.00 0.00 C ATOM 1301 NE ARG A 82 15.605 -7.258 -3.178 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.438 -7.262 -4.220 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.483 -6.440 -4.240 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.226 -8.086 -5.237 1.00 0.00 N ATOM 0 H ARG A 82 14.649 -3.627 1.734 1.00 0.00 H new ATOM 0 HA ARG A 82 12.638 -4.678 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.061 -4.309 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.482 -5.694 0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.096 -7.148 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.724 -5.758 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.153 -5.424 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.517 -6.824 -1.348 1.00 0.00 H new ATOM 0 HE ARG A 82 14.809 -7.895 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.648 -5.806 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.120 -6.444 -5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.425 -8.718 -5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.864 -8.088 -6.033 1.00 0.00 H new ATOM 1318 N THR A 83 13.681 -6.785 2.447 1.00 0.00 N ATOM 1319 CA THR A 83 13.373 -8.031 3.126 1.00 0.00 C ATOM 1320 C THR A 83 11.993 -7.971 3.787 1.00 0.00 C ATOM 1321 O THR A 83 11.163 -8.863 3.597 1.00 0.00 O ATOM 1322 CB THR A 83 14.460 -8.337 4.175 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.655 -8.775 3.511 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.007 -9.386 5.175 1.00 0.00 C ATOM 0 H THR A 83 14.464 -6.271 2.850 1.00 0.00 H new ATOM 0 HA THR A 83 13.354 -8.832 2.387 1.00 0.00 H new ATOM 0 HB THR A 83 14.657 -7.421 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.347 -8.968 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.804 -9.570 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.120 -9.030 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.771 -10.312 4.650 1.00 0.00 H new ATOM 1332 N GLU A 84 11.758 -6.908 4.554 1.00 0.00 N ATOM 1333 CA GLU A 84 10.478 -6.702 5.227 1.00 0.00 C ATOM 1334 C GLU A 84 9.319 -6.690 4.223 1.00 0.00 C ATOM 1335 O GLU A 84 8.277 -7.300 4.464 1.00 0.00 O ATOM 1336 CB GLU A 84 10.507 -5.391 6.020 1.00 0.00 C ATOM 1337 CG GLU A 84 11.708 -5.275 6.944 1.00 0.00 C ATOM 1338 CD GLU A 84 11.649 -4.066 7.858 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.211 -4.216 9.022 1.00 0.00 O ATOM 1340 OE2 GLU A 84 12.056 -2.969 7.432 1.00 0.00 O ATOM 0 H GLU A 84 12.443 -6.172 4.725 1.00 0.00 H new ATOM 0 HA GLU A 84 10.318 -7.532 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.511 -4.553 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.594 -5.311 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.779 -6.177 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.616 -5.223 6.343 1.00 0.00 H new ATOM 1347 N VAL A 85 9.510 -5.999 3.098 1.00 0.00 N ATOM 1348 CA VAL A 85 8.513 -5.960 2.033 1.00 0.00 C ATOM 1349 C VAL A 85 8.194 -7.362 1.515 1.00 0.00 C ATOM 1350 O VAL A 85 7.028 -7.738 1.398 1.00 0.00 O ATOM 1351 CB VAL A 85 8.996 -5.085 0.855 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.149 -5.323 -0.385 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.967 -3.617 1.241 1.00 0.00 C ATOM 0 H VAL A 85 10.352 -5.457 2.903 1.00 0.00 H new ATOM 0 HA VAL A 85 7.609 -5.526 2.460 1.00 0.00 H new ATOM 0 HB VAL A 85 10.023 -5.367 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.511 -4.695 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.218 -6.371 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.110 -5.075 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.310 -3.013 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.949 -3.330 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.622 -3.453 2.097 1.00 0.00 H new ATOM 1363 N LEU A 86 9.239 -8.130 1.214 1.00 0.00 N ATOM 1364 CA LEU A 86 9.086 -9.479 0.670 1.00 0.00 C ATOM 1365 C LEU A 86 8.288 -10.381 1.608 1.00 0.00 C ATOM 1366 O LEU A 86 7.606 -11.302 1.163 1.00 0.00 O ATOM 1367 CB LEU A 86 10.457 -10.095 0.398 1.00 0.00 C ATOM 1368 CG LEU A 86 11.226 -9.462 -0.754 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.682 -9.889 -0.710 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.599 -9.845 -2.082 1.00 0.00 C ATOM 0 H LEU A 86 10.209 -7.839 1.339 1.00 0.00 H new ATOM 0 HA LEU A 86 8.532 -9.396 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.059 -10.019 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.327 -11.157 0.189 1.00 0.00 H new ATOM 0 HG LEU A 86 11.179 -8.378 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.221 -9.430 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.126 -9.570 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.746 -10.974 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.160 -9.385 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.619 -10.929 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.567 -9.497 -2.111 1.00 0.00 H new ATOM 1382 N LYS A 87 8.359 -10.100 2.903 1.00 0.00 N ATOM 1383 CA LYS A 87 7.627 -10.878 3.900 1.00 0.00 C ATOM 1384 C LYS A 87 6.144 -10.522 3.886 1.00 0.00 C ATOM 1385 O LYS A 87 5.323 -11.181 4.526 1.00 0.00 O ATOM 1386 CB LYS A 87 8.211 -10.646 5.292 1.00 0.00 C ATOM 1387 CG LYS A 87 9.589 -11.256 5.474 1.00 0.00 C ATOM 1388 CD LYS A 87 10.155 -10.965 6.851 1.00 0.00 C ATOM 1389 CE LYS A 87 11.515 -11.615 7.039 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.464 -13.087 6.837 1.00 0.00 N ATOM 0 H LYS A 87 8.916 -9.338 3.290 1.00 0.00 H new ATOM 0 HA LYS A 87 7.729 -11.933 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.268 -9.574 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.534 -11.065 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.532 -12.334 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.264 -10.864 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.243 -9.887 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.467 -11.330 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.225 -11.178 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.884 -11.400 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.315 -13.523 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.619 -13.473 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.422 -13.296 5.819 1.00 0.00 H new ATOM 1404 N CYS A 88 5.813 -9.473 3.154 1.00 0.00 N ATOM 1405 CA CYS A 88 4.434 -9.038 3.016 1.00 0.00 C ATOM 1406 C CYS A 88 3.937 -9.265 1.594 1.00 0.00 C ATOM 1407 O CYS A 88 2.742 -9.154 1.315 1.00 0.00 O ATOM 1408 CB CYS A 88 4.307 -7.569 3.406 1.00 0.00 C ATOM 1409 SG CYS A 88 4.238 -7.305 5.209 1.00 0.00 S ATOM 0 H CYS A 88 6.486 -8.903 2.642 1.00 0.00 H new ATOM 0 HA CYS A 88 3.812 -9.631 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.153 -7.017 2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.407 -7.156 2.951 1.00 0.00 H new ATOM 1414 N VAL A 89 4.866 -9.571 0.693 1.00 0.00 N ATOM 1415 CA VAL A 89 4.518 -9.933 -0.667 1.00 0.00 C ATOM 1416 C VAL A 89 3.840 -11.296 -0.677 1.00 0.00 C ATOM 1417 O VAL A 89 4.482 -12.328 -0.483 1.00 0.00 O ATOM 1418 CB VAL A 89 5.761 -9.950 -1.581 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.406 -10.465 -2.964 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.367 -8.558 -1.681 1.00 0.00 C ATOM 0 H VAL A 89 5.867 -9.574 0.886 1.00 0.00 H new ATOM 0 HA VAL A 89 3.831 -9.181 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 89 6.496 -10.623 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.298 -10.468 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.014 -11.479 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.651 -9.818 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.243 -8.588 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.631 -7.870 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.662 -8.217 -0.688 1.00 0.00 H new ATOM 1430 N ASP A 90 2.535 -11.278 -0.875 1.00 0.00 N ATOM 1431 CA ASP A 90 1.734 -12.487 -0.827 1.00 0.00 C ATOM 1432 C ASP A 90 1.220 -12.818 -2.225 1.00 0.00 C ATOM 1433 O ASP A 90 1.442 -12.053 -3.165 1.00 0.00 O ATOM 1434 CB ASP A 90 0.573 -12.292 0.152 1.00 0.00 C ATOM 1435 CG ASP A 90 0.025 -13.599 0.688 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.493 -14.049 1.756 1.00 0.00 O ATOM 1437 OD2 ASP A 90 -0.882 -14.176 0.056 1.00 0.00 O ATOM 0 H ASP A 90 2.003 -10.430 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 90 2.343 -13.321 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.908 -11.675 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.228 -11.746 -0.347 1.00 0.00 H new ATOM 1442 N LYS A 91 0.546 -13.949 -2.360 1.00 0.00 N ATOM 1443 CA LYS A 91 0.082 -14.418 -3.661 1.00 0.00 C ATOM 1444 C LYS A 91 -1.405 -14.124 -3.850 1.00 0.00 C ATOM 1445 O LYS A 91 -2.162 -14.059 -2.879 1.00 0.00 O ATOM 1446 CB LYS A 91 0.400 -15.918 -3.813 1.00 0.00 C ATOM 1447 CG LYS A 91 -0.552 -16.706 -4.691 1.00 0.00 C ATOM 1448 CD LYS A 91 -0.164 -18.174 -4.745 1.00 0.00 C ATOM 1449 CE LYS A 91 -1.001 -18.941 -5.757 1.00 0.00 C ATOM 1450 NZ LYS A 91 -0.773 -18.461 -7.148 1.00 0.00 N ATOM 0 H LYS A 91 0.306 -14.563 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 91 0.609 -13.878 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.407 -16.018 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.410 -16.371 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.568 -16.610 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.550 -16.290 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.891 -18.262 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.288 -18.620 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.761 -20.002 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.057 -18.838 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.122 -19.172 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.282 -17.566 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.245 -18.310 -7.301 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.815 -13.944 -5.102 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.207 -13.637 -5.431 1.00 0.00 C ATOM 1466 C ASN A 92 -4.085 -14.878 -5.278 1.00 0.00 C ATOM 1467 O ASN A 92 -4.560 -15.455 -6.257 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.302 -13.086 -6.858 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.691 -12.586 -7.224 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.494 -12.234 -6.357 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.966 -12.534 -8.520 1.00 0.00 N ATOM 0 H ASN A 92 -1.199 -14.006 -5.913 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.568 -12.878 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.589 -12.270 -6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.008 -13.866 -7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.874 -12.192 -8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.270 -12.836 -9.202 1.00 0.00 H new ATOM 1478 N THR A 93 -4.288 -15.287 -4.035 1.00 0.00 N ATOM 1479 CA THR A 93 -5.104 -16.451 -3.721 1.00 0.00 C ATOM 1480 C THR A 93 -6.591 -16.110 -3.718 1.00 0.00 C ATOM 1481 O THR A 93 -7.441 -16.992 -3.856 1.00 0.00 O ATOM 1482 CB THR A 93 -4.717 -17.029 -2.349 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.789 -16.004 -1.350 1.00 0.00 O ATOM 1484 CG2 THR A 93 -3.317 -17.607 -2.382 1.00 0.00 C ATOM 0 H THR A 93 -3.893 -14.823 -3.217 1.00 0.00 H new ATOM 0 HA THR A 93 -4.918 -17.193 -4.498 1.00 0.00 H new ATOM 0 HB THR A 93 -5.418 -17.828 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.543 -16.379 -0.478 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.066 -18.009 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.270 -18.404 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.606 -16.824 -2.645 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.904 -14.829 -3.569 1.00 0.00 N ATOM 1493 CA ASP A 94 -8.295 -14.387 -3.516 1.00 0.00 C ATOM 1494 C ASP A 94 -8.836 -14.144 -4.920 1.00 0.00 C ATOM 1495 O ASP A 94 -10.034 -13.936 -5.117 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.428 -13.117 -2.666 1.00 0.00 C ATOM 1497 CG ASP A 94 -9.874 -12.694 -2.466 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -10.627 -13.437 -1.802 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -10.260 -11.615 -2.961 1.00 0.00 O ATOM 0 H ASP A 94 -6.218 -14.079 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.884 -15.177 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.965 -13.285 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.879 -12.306 -3.144 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.922 -14.188 -5.893 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.254 -14.011 -7.303 1.00 0.00 C ATOM 1506 C ASN A 95 -8.882 -12.636 -7.521 1.00 0.00 C ATOM 1507 O ASN A 95 -9.805 -12.466 -8.318 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.184 -15.141 -7.765 1.00 0.00 C ATOM 1509 CG ASN A 95 -9.175 -15.382 -9.272 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -9.264 -16.527 -9.715 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.098 -14.329 -10.072 1.00 0.00 N ATOM 0 H ASN A 95 -6.929 -14.348 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.346 -14.060 -7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.896 -16.063 -7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.202 -14.910 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.112 -14.455 -11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.025 -13.392 -9.676 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.372 -11.655 -6.794 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.905 -10.305 -6.832 1.00 0.00 C ATOM 1520 C ASN A 96 -7.807 -9.304 -6.494 1.00 0.00 C ATOM 1521 O ASN A 96 -7.226 -9.348 -5.407 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.071 -10.204 -5.844 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.500 -8.781 -5.542 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.384 -7.881 -6.375 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.009 -8.577 -4.339 1.00 0.00 N ATOM 0 H ASN A 96 -7.579 -11.773 -6.163 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.271 -10.073 -7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.923 -10.752 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.788 -10.693 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.324 -7.645 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.087 -9.352 -3.680 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.535 -8.402 -7.434 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.433 -7.455 -7.313 1.00 0.00 C ATOM 1534 C ALA A 97 -6.623 -6.504 -6.135 1.00 0.00 C ATOM 1535 O ALA A 97 -5.648 -6.088 -5.509 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.264 -6.669 -8.603 1.00 0.00 C ATOM 0 H ALA A 97 -8.071 -8.308 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.528 -8.033 -7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.437 -5.967 -8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.052 -7.356 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.181 -6.120 -8.817 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.874 -6.165 -5.833 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.170 -5.301 -4.693 1.00 0.00 C ATOM 1544 C CYS A 98 -7.687 -5.944 -3.400 1.00 0.00 C ATOM 1545 O CYS A 98 -7.117 -5.278 -2.539 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.669 -5.013 -4.584 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.400 -4.204 -6.045 1.00 0.00 S ATOM 0 H CYS A 98 -8.693 -6.472 -6.357 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.645 -4.359 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.193 -5.952 -4.406 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.841 -4.382 -3.712 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.883 -7.249 -3.282 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.537 -7.957 -2.060 1.00 0.00 C ATOM 1554 C HIS A 99 -6.048 -8.292 -2.052 1.00 0.00 C ATOM 1555 O HIS A 99 -5.430 -8.389 -0.995 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.374 -9.233 -1.938 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.483 -9.772 -0.540 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.685 -9.879 0.125 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.543 -10.254 0.308 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.480 -10.401 1.319 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.190 -10.638 1.455 1.00 0.00 N ATOM 0 H HIS A 99 -8.279 -7.837 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.753 -7.316 -1.205 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.376 -9.033 -2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.939 -10.001 -2.578 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.482 -10.323 0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.240 -10.601 2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.745 -11.041 2.280 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.483 -8.455 -3.242 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.066 -8.784 -3.387 1.00 0.00 C ATOM 1572 C TRP A 100 -3.204 -7.623 -2.897 1.00 0.00 C ATOM 1573 O TRP A 100 -2.333 -7.797 -2.042 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.749 -9.115 -4.855 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.361 -9.646 -5.083 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.435 -9.972 -4.133 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.753 -9.928 -6.350 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.287 -10.427 -4.732 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.457 -10.413 -6.091 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.177 -9.815 -7.680 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.415 -10.785 -7.111 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.309 -10.186 -8.690 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.027 -10.664 -8.402 1.00 0.00 C ATOM 0 H TRP A 100 -5.985 -8.365 -4.125 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.840 -9.660 -2.779 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.470 -9.850 -5.214 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.885 -8.216 -5.456 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.584 -9.885 -3.067 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.557 -10.727 -4.244 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.165 -9.445 -7.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.405 -11.156 -6.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.627 -10.105 -9.719 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.628 -10.944 -9.214 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.473 -6.434 -3.425 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.729 -5.242 -3.047 1.00 0.00 C ATOM 1596 C ALA A 101 -2.995 -4.878 -1.594 1.00 0.00 C ATOM 1597 O ALA A 101 -2.093 -4.447 -0.873 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.098 -4.080 -3.955 1.00 0.00 C ATOM 0 H ALA A 101 -4.204 -6.272 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.666 -5.453 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.534 -3.195 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.860 -4.335 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.165 -3.875 -3.869 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.237 -5.072 -1.170 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.638 -4.740 0.187 1.00 0.00 C ATOM 1606 C PHE A 102 -3.942 -5.648 1.197 1.00 0.00 C ATOM 1607 O PHE A 102 -3.595 -5.215 2.292 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.157 -4.835 0.334 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.661 -4.415 1.688 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.636 -3.080 2.061 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.162 -5.347 2.586 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.096 -2.683 3.301 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.626 -4.954 3.827 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.593 -3.619 4.186 1.00 0.00 C ATOM 0 H PHE A 102 -4.983 -5.458 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.335 -3.713 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.627 -4.213 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.468 -5.862 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.252 -2.341 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.190 -6.391 2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.067 -1.640 3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.014 -5.689 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.955 -3.310 5.155 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.721 -6.904 0.814 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.070 -7.867 1.692 1.00 0.00 C ATOM 1626 C ARG A 103 -1.621 -7.460 1.938 1.00 0.00 C ATOM 1627 O ARG A 103 -1.115 -7.566 3.058 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.128 -9.273 1.092 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.562 -10.335 2.017 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.693 -11.738 1.437 1.00 0.00 C ATOM 1631 NE ARG A 103 -4.074 -12.207 1.403 1.00 0.00 N ATOM 1632 CZ ARG A 103 -4.491 -13.218 0.643 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.640 -13.836 -0.169 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -5.754 -13.622 0.707 1.00 0.00 N ATOM 0 H ARG A 103 -3.984 -7.276 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.601 -7.877 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.163 -9.519 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.575 -9.285 0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.511 -10.121 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.079 -10.291 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.285 -11.748 0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.093 -12.429 2.030 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.758 -11.734 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.666 -13.536 -0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.961 -14.610 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.407 -13.158 1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.072 -14.396 0.124 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.970 -6.978 0.883 1.00 0.00 N ATOM 1649 CA GLY A 104 0.400 -6.513 0.998 1.00 0.00 C ATOM 1650 C GLY A 104 0.505 -5.285 1.879 1.00 0.00 C ATOM 1651 O GLY A 104 1.355 -5.217 2.769 1.00 0.00 O ATOM 0 H GLY A 104 -1.369 -6.901 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.021 -7.309 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.790 -6.284 0.007 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.382 -4.324 1.642 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.400 -3.082 2.399 1.00 0.00 C ATOM 1657 C PHE A 105 -0.696 -3.351 3.870 1.00 0.00 C ATOM 1658 O PHE A 105 0.015 -2.876 4.752 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.438 -2.125 1.804 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.721 -0.917 2.656 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.685 -0.097 3.072 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -3.017 -0.597 3.030 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.937 1.017 3.848 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.271 0.517 3.806 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.230 1.323 4.216 1.00 0.00 C ATOM 0 H PHE A 105 -1.104 -4.385 0.924 1.00 0.00 H new ATOM 0 HA PHE A 105 0.584 -2.617 2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.091 -1.793 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.369 -2.669 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.330 -0.331 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.836 -1.225 2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.121 1.649 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.285 0.757 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.427 2.193 4.825 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.726 -4.150 4.114 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.190 -4.436 5.468 1.00 0.00 C ATOM 1677 C LYS A 106 -1.110 -5.153 6.280 1.00 0.00 C ATOM 1678 O LYS A 106 -0.909 -4.856 7.457 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.492 -5.250 5.411 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.790 -6.062 6.654 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.079 -6.848 6.492 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.303 -7.799 7.653 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.263 -8.858 7.711 1.00 0.00 N ATOM 0 H LYS A 106 -2.263 -4.617 3.383 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.397 -3.495 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.323 -4.567 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.445 -5.925 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.965 -6.746 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.869 -5.399 7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.920 -6.158 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.047 -7.412 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.302 -7.238 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.286 -8.260 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.587 -9.630 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.091 -9.229 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.381 -8.458 8.091 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.406 -6.078 5.637 1.00 0.00 N ATOM 1698 CA CYS A 107 0.687 -6.796 6.278 1.00 0.00 C ATOM 1699 C CYS A 107 1.806 -5.840 6.675 1.00 0.00 C ATOM 1700 O CYS A 107 2.349 -5.915 7.782 1.00 0.00 O ATOM 1701 CB CYS A 107 1.230 -7.878 5.334 1.00 0.00 C ATOM 1702 SG CYS A 107 2.821 -8.616 5.851 1.00 0.00 S ATOM 0 H CYS A 107 -0.575 -6.348 4.668 1.00 0.00 H new ATOM 0 HA CYS A 107 0.303 -7.269 7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.488 -8.672 5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.351 -7.446 4.340 1.00 0.00 H new ATOM 1707 N PHE A 108 2.133 -4.925 5.775 1.00 0.00 N ATOM 1708 CA PHE A 108 3.277 -4.057 5.968 1.00 0.00 C ATOM 1709 C PHE A 108 2.978 -2.982 7.005 1.00 0.00 C ATOM 1710 O PHE A 108 3.804 -2.709 7.862 1.00 0.00 O ATOM 1711 CB PHE A 108 3.700 -3.436 4.643 1.00 0.00 C ATOM 1712 CG PHE A 108 5.108 -2.912 4.655 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.375 -1.590 4.964 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.168 -3.756 4.360 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.672 -1.118 4.979 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.466 -3.288 4.373 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.718 -1.969 4.683 1.00 0.00 C ATOM 0 H PHE A 108 1.622 -4.767 4.907 1.00 0.00 H new ATOM 0 HA PHE A 108 4.105 -4.658 6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.604 -4.181 3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.019 -2.621 4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.560 -0.920 5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.976 -4.791 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.868 -0.084 5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.283 -3.954 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.733 -1.601 4.694 1.00 0.00 H new ATOM 1727 N GLN A 109 1.787 -2.396 6.956 1.00 0.00 N ATOM 1728 CA GLN A 109 1.404 -1.375 7.931 1.00 0.00 C ATOM 1729 C GLN A 109 1.150 -1.988 9.305 1.00 0.00 C ATOM 1730 O GLN A 109 0.941 -1.279 10.288 1.00 0.00 O ATOM 1731 CB GLN A 109 0.171 -0.599 7.462 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.063 -1.450 7.216 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.264 -0.994 8.026 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -3.008 -0.105 7.609 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.482 -1.619 9.171 1.00 0.00 N ATOM 0 H GLN A 109 1.073 -2.606 6.258 1.00 0.00 H new ATOM 0 HA GLN A 109 2.238 -0.679 8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.070 0.158 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.420 -0.071 6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.313 -1.421 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.838 -2.488 7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.843 -2.350 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.289 -1.370 9.742 1.00 0.00 H new ATOM 1744 N LYS A 110 1.168 -3.309 9.362 1.00 0.00 N ATOM 1745 CA LYS A 110 0.985 -4.027 10.605 1.00 0.00 C ATOM 1746 C LYS A 110 2.322 -4.189 11.327 1.00 0.00 C ATOM 1747 O LYS A 110 2.367 -4.425 12.534 1.00 0.00 O ATOM 1748 CB LYS A 110 0.381 -5.394 10.299 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.111 -6.149 11.517 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.683 -7.502 11.126 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.273 -8.234 12.320 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.452 -7.525 12.882 1.00 0.00 N ATOM 0 H LYS A 110 1.310 -3.909 8.549 1.00 0.00 H new ATOM 0 HA LYS A 110 0.314 -3.466 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.451 -5.263 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.128 -6.001 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.711 -6.287 12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.874 -5.562 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.453 -7.365 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.101 -8.112 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.565 -9.241 12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.511 -8.340 13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.963 -8.159 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.135 -6.682 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.085 -7.236 12.109 1.00 0.00 H new ATOM 1766 N ASN A 111 3.411 -4.055 10.577 1.00 0.00 N ATOM 1767 CA ASN A 111 4.747 -4.284 11.122 1.00 0.00 C ATOM 1768 C ASN A 111 5.698 -3.115 10.825 1.00 0.00 C ATOM 1769 O ASN A 111 6.746 -2.985 11.456 1.00 0.00 O ATOM 1770 CB ASN A 111 5.308 -5.603 10.574 1.00 0.00 C ATOM 1771 CG ASN A 111 5.999 -5.483 9.226 1.00 0.00 C ATOM 1772 OD1 ASN A 111 7.203 -5.267 9.148 1.00 0.00 O ATOM 1773 ND2 ASN A 111 5.240 -5.646 8.153 1.00 0.00 N ATOM 0 H ASN A 111 3.396 -3.790 9.592 1.00 0.00 H new ATOM 0 HA ASN A 111 4.664 -4.352 12.207 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.016 -6.010 11.296 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.493 -6.322 10.487 1.00 0.00 H new ATOM 0 HD21 ASN A 111 5.654 -5.593 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.241 -5.824 8.257 1.00 0.00 H new ATOM 1780 N ASN A 112 5.326 -2.260 9.881 1.00 0.00 N ATOM 1781 CA ASN A 112 6.111 -1.069 9.548 1.00 0.00 C ATOM 1782 C ASN A 112 5.207 0.074 9.109 1.00 0.00 C ATOM 1783 O ASN A 112 5.230 0.475 7.948 1.00 0.00 O ATOM 1784 CB ASN A 112 7.114 -1.337 8.421 1.00 0.00 C ATOM 1785 CG ASN A 112 8.472 -1.808 8.900 1.00 0.00 C ATOM 1786 OD1 ASN A 112 9.326 -1.000 9.264 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.697 -3.105 8.867 1.00 0.00 N ATOM 0 H ASN A 112 4.478 -2.368 9.325 1.00 0.00 H new ATOM 0 HA ASN A 112 6.652 -0.799 10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.697 -2.088 7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.242 -0.424 7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.606 -3.472 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.963 -3.742 8.559 1.00 0.00 H new ATOM 1794 N LEU A 113 4.420 0.613 10.024 1.00 0.00 N ATOM 1795 CA LEU A 113 3.530 1.716 9.682 1.00 0.00 C ATOM 1796 C LEU A 113 4.273 3.045 9.732 1.00 0.00 C ATOM 1797 O LEU A 113 4.031 3.941 8.919 1.00 0.00 O ATOM 1798 CB LEU A 113 2.316 1.759 10.606 1.00 0.00 C ATOM 1799 CG LEU A 113 1.419 2.978 10.423 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.794 2.970 9.037 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.350 3.009 11.501 1.00 0.00 C ATOM 0 H LEU A 113 4.376 0.312 10.998 1.00 0.00 H new ATOM 0 HA LEU A 113 3.177 1.548 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.721 0.860 10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.662 1.731 11.639 1.00 0.00 H new ATOM 0 HG LEU A 113 2.024 3.880 10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.156 3.846 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.581 2.991 8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.196 2.067 8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.284 3.884 11.359 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.258 2.106 11.437 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.823 3.059 12.482 1.00 0.00 H new ATOM 1813 N SER A 114 5.188 3.160 10.681 1.00 0.00 N ATOM 1814 CA SER A 114 5.974 4.372 10.844 1.00 0.00 C ATOM 1815 C SER A 114 6.823 4.618 9.602 1.00 0.00 C ATOM 1816 O SER A 114 7.015 5.759 9.179 1.00 0.00 O ATOM 1817 CB SER A 114 6.861 4.243 12.080 1.00 0.00 C ATOM 1818 OG SER A 114 6.125 3.718 13.174 1.00 0.00 O ATOM 0 H SER A 114 5.405 2.424 11.353 1.00 0.00 H new ATOM 0 HA SER A 114 5.304 5.221 10.976 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.708 3.593 11.860 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.269 5.219 12.344 1.00 0.00 H new ATOM 0 HG SER A 114 6.711 3.641 13.956 1.00 0.00 H new ATOM 1824 N LEU A 115 7.305 3.532 9.010 1.00 0.00 N ATOM 1825 CA LEU A 115 8.092 3.605 7.795 1.00 0.00 C ATOM 1826 C LEU A 115 7.237 4.106 6.638 1.00 0.00 C ATOM 1827 O LEU A 115 7.713 4.837 5.772 1.00 0.00 O ATOM 1828 CB LEU A 115 8.671 2.234 7.463 1.00 0.00 C ATOM 1829 CG LEU A 115 9.615 2.207 6.265 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.824 3.077 6.546 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.037 0.783 5.944 1.00 0.00 C ATOM 0 H LEU A 115 7.160 2.585 9.359 1.00 0.00 H new ATOM 0 HA LEU A 115 8.911 4.307 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.206 1.861 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.848 1.545 7.274 1.00 0.00 H new ATOM 0 HG LEU A 115 9.092 2.603 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.496 3.055 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.500 4.102 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.347 2.701 7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.710 0.787 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.549 0.352 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.155 0.186 5.710 1.00 0.00 H new ATOM 1843 N ILE A 116 5.968 3.718 6.641 1.00 0.00 N ATOM 1844 CA ILE A 116 5.041 4.139 5.604 1.00 0.00 C ATOM 1845 C ILE A 116 4.807 5.641 5.689 1.00 0.00 C ATOM 1846 O ILE A 116 4.804 6.340 4.678 1.00 0.00 O ATOM 1847 CB ILE A 116 3.691 3.395 5.712 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.901 1.888 5.561 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.717 3.903 4.660 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.621 1.091 5.634 1.00 0.00 C ATOM 0 H ILE A 116 5.559 3.112 7.352 1.00 0.00 H new ATOM 0 HA ILE A 116 5.488 3.892 4.641 1.00 0.00 H new ATOM 0 HB ILE A 116 3.267 3.590 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.388 1.691 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.579 1.544 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.772 3.368 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.546 4.969 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.134 3.736 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.846 0.031 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.143 1.258 6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.949 1.408 4.836 1.00 0.00 H new ATOM 1862 N LYS A 117 4.646 6.131 6.909 1.00 0.00 N ATOM 1863 CA LYS A 117 4.448 7.553 7.142 1.00 0.00 C ATOM 1864 C LYS A 117 5.685 8.343 6.723 1.00 0.00 C ATOM 1865 O LYS A 117 5.581 9.406 6.118 1.00 0.00 O ATOM 1866 CB LYS A 117 4.140 7.813 8.616 1.00 0.00 C ATOM 1867 CG LYS A 117 2.777 7.294 9.056 1.00 0.00 C ATOM 1868 CD LYS A 117 2.534 7.541 10.539 1.00 0.00 C ATOM 1869 CE LYS A 117 1.156 7.062 10.974 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.964 7.185 12.444 1.00 0.00 N ATOM 0 H LYS A 117 4.649 5.562 7.756 1.00 0.00 H new ATOM 0 HA LYS A 117 3.601 7.883 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.912 7.346 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.189 8.885 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.996 7.782 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.710 6.226 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.298 7.028 11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.632 8.606 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.391 7.642 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.023 6.022 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.014 6.849 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.678 6.611 12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.066 8.181 12.725 1.00 0.00 H new ATOM 1884 N ALA A 118 6.855 7.798 7.033 1.00 0.00 N ATOM 1885 CA ALA A 118 8.116 8.468 6.748 1.00 0.00 C ATOM 1886 C ALA A 118 8.491 8.395 5.266 1.00 0.00 C ATOM 1887 O ALA A 118 9.302 9.193 4.787 1.00 0.00 O ATOM 1888 CB ALA A 118 9.214 7.865 7.601 1.00 0.00 C ATOM 0 H ALA A 118 6.956 6.889 7.484 1.00 0.00 H new ATOM 0 HA ALA A 118 7.995 9.523 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.158 8.367 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.967 7.991 8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.309 6.803 7.375 1.00 0.00 H new ATOM 1894 N SER A 119 7.910 7.446 4.542 1.00 0.00 N ATOM 1895 CA SER A 119 8.216 7.285 3.127 1.00 0.00 C ATOM 1896 C SER A 119 7.620 8.428 2.307 1.00 0.00 C ATOM 1897 O SER A 119 8.209 8.874 1.323 1.00 0.00 O ATOM 1898 CB SER A 119 7.708 5.935 2.608 1.00 0.00 C ATOM 1899 OG SER A 119 6.293 5.886 2.558 1.00 0.00 O ATOM 0 H SER A 119 7.229 6.781 4.909 1.00 0.00 H new ATOM 0 HA SER A 119 9.300 7.311 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.113 5.753 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.076 5.137 3.252 1.00 0.00 H new ATOM 0 HG SER A 119 5.921 6.404 3.302 1.00 0.00 H new ATOM 1905 N ILE A 120 6.455 8.905 2.726 1.00 0.00 N ATOM 1906 CA ILE A 120 5.779 9.987 2.025 1.00 0.00 C ATOM 1907 C ILE A 120 6.072 11.333 2.680 1.00 0.00 C ATOM 1908 O ILE A 120 5.756 12.386 2.125 1.00 0.00 O ATOM 1909 CB ILE A 120 4.251 9.768 1.983 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.684 9.642 3.398 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.919 8.529 1.168 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.174 9.673 3.448 1.00 0.00 C ATOM 0 H ILE A 120 5.959 8.559 3.548 1.00 0.00 H new ATOM 0 HA ILE A 120 6.163 9.990 1.005 1.00 0.00 H new ATOM 0 HB ILE A 120 3.792 10.634 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.035 8.709 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.077 10.453 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.839 8.386 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.289 8.653 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.391 7.658 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.842 9.579 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.816 10.616 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.773 8.846 2.862 1.00 0.00 H new ATOM 1924 N LYS A 121 6.671 11.294 3.859 1.00 0.00 N ATOM 1925 CA LYS A 121 6.952 12.499 4.612 1.00 0.00 C ATOM 1926 C LYS A 121 8.337 13.029 4.264 1.00 0.00 C ATOM 1927 O LYS A 121 9.328 12.302 4.346 1.00 0.00 O ATOM 1928 CB LYS A 121 6.857 12.207 6.106 1.00 0.00 C ATOM 1929 CG LYS A 121 6.560 13.436 6.952 1.00 0.00 C ATOM 1930 CD LYS A 121 5.189 14.008 6.625 1.00 0.00 C ATOM 1931 CE LYS A 121 4.784 15.106 7.597 1.00 0.00 C ATOM 1932 NZ LYS A 121 4.497 14.580 8.958 1.00 0.00 N ATOM 0 H LYS A 121 6.973 10.433 4.315 1.00 0.00 H new ATOM 0 HA LYS A 121 6.216 13.260 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.077 11.465 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 121 7.795 11.764 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.605 13.173 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.324 14.194 6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.195 14.406 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.447 13.210 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.581 15.847 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.901 15.619 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.050 15.324 9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.855 13.765 8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.385 14.282 9.410 1.00 0.00 H new