USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 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: B 22 SER OG : rot 180:sc= 0.67 USER MOD Set 1.2: B 31 LYS NZ :NH3+ 165:sc= 1.05 (180deg=0.0132) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 15 MET CE :methyl 143:sc= -1.48 (180deg=-6.38!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.156 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.51) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.016) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -10.5! C(o=-10!,f=-15!) USER MOD Single : A 50 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 15 MET CE :methyl 163:sc= -0.565 (180deg=-0.991) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.604 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= 0.157 K(o=0.16,f=-4.6!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00908) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 HIS : no HD1:sc= -2.79! C(o=-2.4!,f=-11!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 6.399 15.049 -1.361 1.00 0.00 N ATOM 54 CA LEU A 4 6.225 13.704 -1.939 1.00 0.00 C ATOM 55 C LEU A 4 6.759 12.523 -1.100 1.00 0.00 C ATOM 56 O LEU A 4 6.057 11.527 -0.931 1.00 0.00 O ATOM 57 CB LEU A 4 6.722 13.699 -3.399 1.00 0.00 C ATOM 58 CG LEU A 4 8.257 13.616 -3.535 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.718 12.185 -3.819 1.00 0.00 C ATOM 60 CD2 LEU A 4 8.787 14.514 -4.645 1.00 0.00 C ATOM 0 HA LEU A 4 5.153 13.507 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.274 12.854 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.371 14.604 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 4 8.657 13.954 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.804 12.164 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.409 11.534 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.270 11.836 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.872 14.421 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.347 14.215 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.522 15.550 -4.433 1.00 0.00 H new ATOM 72 N ARG A 5 7.953 12.650 -0.504 1.00 0.00 N ATOM 73 CA ARG A 5 8.561 11.617 0.363 1.00 0.00 C ATOM 74 C ARG A 5 7.775 11.427 1.663 1.00 0.00 C ATOM 75 O ARG A 5 7.623 10.308 2.154 1.00 0.00 O ATOM 76 CB ARG A 5 10.019 11.988 0.689 1.00 0.00 C ATOM 77 CG ARG A 5 10.918 12.086 -0.554 1.00 0.00 C ATOM 78 CD ARG A 5 12.349 12.453 -0.144 1.00 0.00 C ATOM 79 NE ARG A 5 13.208 12.687 -1.321 1.00 0.00 N ATOM 80 CZ ARG A 5 14.436 13.177 -1.311 1.00 0.00 C ATOM 81 NH1 ARG A 5 15.052 13.484 -0.203 1.00 0.00 N ATOM 82 NH2 ARG A 5 15.074 13.373 -2.428 1.00 0.00 N ATOM 0 H ARG A 5 8.535 13.481 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 5 8.535 10.675 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.034 12.943 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.432 11.243 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.917 11.136 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.524 12.837 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.332 13.348 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.771 11.651 0.462 1.00 0.00 H new ATOM 0 HE ARG A 5 12.816 12.447 -2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.586 13.348 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.000 13.860 -0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.627 13.148 -3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.021 13.751 -2.415 1.00 0.00 H new ATOM 96 N GLU A 6 7.240 12.528 2.185 1.00 0.00 N ATOM 97 CA GLU A 6 6.379 12.593 3.366 1.00 0.00 C ATOM 98 C GLU A 6 5.069 11.807 3.168 1.00 0.00 C ATOM 99 O GLU A 6 4.593 11.135 4.087 1.00 0.00 O ATOM 100 CB GLU A 6 6.098 14.083 3.689 1.00 0.00 C ATOM 101 CG GLU A 6 5.755 14.332 5.163 1.00 0.00 C ATOM 102 CD GLU A 6 6.977 14.134 6.083 1.00 0.00 C ATOM 103 OE1 GLU A 6 7.799 15.073 6.216 1.00 0.00 O ATOM 104 OE2 GLU A 6 7.122 13.043 6.685 1.00 0.00 O ATOM 0 H GLU A 6 7.403 13.448 1.775 1.00 0.00 H new ATOM 0 HA GLU A 6 6.891 12.124 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.972 14.676 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.274 14.433 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.374 15.347 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.958 13.655 5.469 1.00 0.00 H new ATOM 111 N LEU A 7 4.520 11.838 1.947 1.00 0.00 N ATOM 112 CA LEU A 7 3.322 11.083 1.556 1.00 0.00 C ATOM 113 C LEU A 7 3.627 9.579 1.403 1.00 0.00 C ATOM 114 O LEU A 7 2.969 8.741 2.019 1.00 0.00 O ATOM 115 CB LEU A 7 2.751 11.662 0.241 1.00 0.00 C ATOM 116 CG LEU A 7 2.551 13.188 0.196 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.870 13.601 -1.105 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.721 13.726 1.353 1.00 0.00 C ATOM 0 H LEU A 7 4.904 12.400 1.187 1.00 0.00 H new ATOM 0 HA LEU A 7 2.578 11.183 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.417 11.380 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.790 11.185 0.046 1.00 0.00 H new ATOM 0 HG LEU A 7 3.552 13.614 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.737 14.683 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.489 13.301 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.897 13.115 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.621 14.807 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.732 13.267 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.215 13.490 2.296 1.00 0.00 H new ATOM 130 N TYR A 8 4.663 9.252 0.620 1.00 0.00 N ATOM 131 CA TYR A 8 5.127 7.898 0.258 1.00 0.00 C ATOM 132 C TYR A 8 5.389 7.004 1.472 1.00 0.00 C ATOM 133 O TYR A 8 5.047 5.823 1.456 1.00 0.00 O ATOM 134 CB TYR A 8 6.460 8.078 -0.507 1.00 0.00 C ATOM 135 CG TYR A 8 6.840 7.123 -1.629 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.372 5.795 -1.680 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.761 7.572 -2.601 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.841 4.923 -2.681 1.00 0.00 C ATOM 139 CE2 TYR A 8 8.221 6.704 -3.610 1.00 0.00 C ATOM 140 CZ TYR A 8 7.766 5.369 -3.645 1.00 0.00 C ATOM 141 OH TYR A 8 8.231 4.495 -4.579 1.00 0.00 O ATOM 0 H TYR A 8 5.242 9.974 0.191 1.00 0.00 H new ATOM 0 HA TYR A 8 4.349 7.412 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.457 9.084 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.262 8.043 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.654 5.446 -0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.116 8.591 -2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.488 3.903 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.919 7.059 -4.354 1.00 0.00 H new ATOM 0 HH TYR A 8 8.860 4.955 -5.173 1.00 0.00 H new ATOM 151 N LYS A 9 6.000 7.550 2.526 1.00 0.00 N ATOM 152 CA LYS A 9 6.379 6.756 3.703 1.00 0.00 C ATOM 153 C LYS A 9 5.181 6.196 4.467 1.00 0.00 C ATOM 154 O LYS A 9 5.115 4.988 4.678 1.00 0.00 O ATOM 155 CB LYS A 9 7.335 7.579 4.588 1.00 0.00 C ATOM 156 CG LYS A 9 8.009 6.704 5.656 1.00 0.00 C ATOM 157 CD LYS A 9 9.007 7.517 6.494 1.00 0.00 C ATOM 158 CE LYS A 9 9.627 6.693 7.633 1.00 0.00 C ATOM 159 NZ LYS A 9 10.549 5.634 7.138 1.00 0.00 N ATOM 0 H LYS A 9 6.244 8.538 2.591 1.00 0.00 H new ATOM 0 HA LYS A 9 6.909 5.867 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.098 8.046 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.782 8.384 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.250 6.273 6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.526 5.873 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.800 7.891 5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.501 8.387 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.171 7.359 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.831 6.232 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.939 5.108 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.027 4.981 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.325 6.072 6.602 1.00 0.00 H new ATOM 173 N LEU A 10 4.194 7.029 4.790 1.00 0.00 N ATOM 174 CA LEU A 10 2.921 6.593 5.362 1.00 0.00 C ATOM 175 C LEU A 10 2.159 5.652 4.413 1.00 0.00 C ATOM 176 O LEU A 10 1.616 4.633 4.840 1.00 0.00 O ATOM 177 CB LEU A 10 2.075 7.821 5.738 1.00 0.00 C ATOM 178 CG LEU A 10 2.578 8.521 7.014 1.00 0.00 C ATOM 179 CD1 LEU A 10 1.963 9.911 7.107 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.191 7.754 8.281 1.00 0.00 C ATOM 0 H LEU A 10 4.256 8.039 4.660 1.00 0.00 H new ATOM 0 HA LEU A 10 3.128 6.019 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.085 8.531 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.039 7.513 5.882 1.00 0.00 H new ATOM 0 HG LEU A 10 3.665 8.568 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.319 10.407 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.252 10.496 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.877 9.827 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.566 8.284 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.105 7.676 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.625 6.755 8.248 1.00 0.00 H new ATOM 192 N GLU A 11 2.195 5.953 3.113 1.00 0.00 N ATOM 193 CA GLU A 11 1.709 5.090 2.031 1.00 0.00 C ATOM 194 C GLU A 11 2.358 3.689 2.033 1.00 0.00 C ATOM 195 O GLU A 11 1.652 2.706 1.799 1.00 0.00 O ATOM 196 CB GLU A 11 1.898 5.856 0.696 1.00 0.00 C ATOM 197 CG GLU A 11 0.678 6.686 0.262 1.00 0.00 C ATOM 198 CD GLU A 11 -0.503 5.869 -0.277 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.284 5.167 0.386 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.946 5.919 -1.437 1.00 0.00 O ATOM 0 H GLU A 11 2.577 6.835 2.771 1.00 0.00 H new ATOM 0 HA GLU A 11 0.650 4.878 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.758 6.519 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.133 5.139 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.335 7.273 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.993 7.392 -0.506 1.00 0.00 H new ATOM 207 N GLN A 12 3.648 3.544 2.378 1.00 0.00 N ATOM 208 CA GLN A 12 4.307 2.239 2.479 1.00 0.00 C ATOM 209 C GLN A 12 4.231 1.572 3.854 1.00 0.00 C ATOM 210 O GLN A 12 4.291 0.347 3.942 1.00 0.00 O ATOM 211 CB GLN A 12 5.757 2.379 2.023 1.00 0.00 C ATOM 212 CG GLN A 12 5.791 2.526 0.500 1.00 0.00 C ATOM 213 CD GLN A 12 7.218 2.595 -0.046 1.00 0.00 C ATOM 214 OE1 GLN A 12 8.079 3.313 0.447 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.537 1.835 -1.075 1.00 0.00 N ATOM 0 H GLN A 12 4.260 4.331 2.594 1.00 0.00 H new ATOM 0 HA GLN A 12 3.752 1.566 1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.217 3.247 2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.334 1.506 2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.271 1.684 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.251 3.428 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.834 1.230 -1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.487 1.852 -1.446 1.00 0.00 H new ATOM 224 N GLN A 13 4.024 2.333 4.924 1.00 0.00 N ATOM 225 CA GLN A 13 3.763 1.778 6.259 1.00 0.00 C ATOM 226 C GLN A 13 2.447 0.996 6.310 1.00 0.00 C ATOM 227 O GLN A 13 2.400 -0.049 6.959 1.00 0.00 O ATOM 228 CB GLN A 13 3.769 2.893 7.318 1.00 0.00 C ATOM 229 CG GLN A 13 5.189 3.370 7.658 1.00 0.00 C ATOM 230 CD GLN A 13 5.166 4.594 8.570 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.281 5.732 8.136 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.008 4.418 9.865 1.00 0.00 N ATOM 0 H GLN A 13 4.031 3.353 4.896 1.00 0.00 H new ATOM 0 HA GLN A 13 4.567 1.076 6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.182 3.737 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.283 2.532 8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.738 2.563 8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.723 3.610 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.911 3.476 10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.983 5.224 10.490 1.00 0.00 H new ATOM 241 N ALA A 14 1.414 1.418 5.568 1.00 0.00 N ATOM 242 CA ALA A 14 0.206 0.612 5.405 1.00 0.00 C ATOM 243 C ALA A 14 0.502 -0.644 4.574 1.00 0.00 C ATOM 244 O ALA A 14 0.046 -1.719 4.940 1.00 0.00 O ATOM 245 CB ALA A 14 -0.886 1.481 4.766 1.00 0.00 C ATOM 0 H ALA A 14 1.395 2.310 5.074 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.148 0.268 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.793 0.890 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.096 2.334 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.545 1.836 3.793 1.00 0.00 H new ATOM 251 N MET A 15 1.317 -0.556 3.515 1.00 0.00 N ATOM 252 CA MET A 15 1.718 -1.727 2.707 1.00 0.00 C ATOM 253 C MET A 15 2.515 -2.772 3.499 1.00 0.00 C ATOM 254 O MET A 15 2.279 -3.973 3.341 1.00 0.00 O ATOM 255 CB MET A 15 2.516 -1.300 1.463 1.00 0.00 C ATOM 256 CG MET A 15 1.687 -0.554 0.412 1.00 0.00 C ATOM 257 SD MET A 15 0.674 -1.603 -0.673 1.00 0.00 S ATOM 258 CE MET A 15 -0.764 -1.966 0.374 1.00 0.00 C ATOM 0 H MET A 15 1.719 0.324 3.191 1.00 0.00 H new ATOM 0 HA MET A 15 0.786 -2.200 2.398 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.343 -0.663 1.776 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.953 -2.186 1.003 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.031 0.150 0.924 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.363 0.034 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.665 -1.985 -0.239 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.630 -2.936 0.852 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.862 -1.195 1.138 1.00 0.00 H new ATOM 268 N LYS A 16 3.424 -2.349 4.386 1.00 0.00 N ATOM 269 CA LYS A 16 4.177 -3.268 5.253 1.00 0.00 C ATOM 270 C LYS A 16 3.280 -3.928 6.301 1.00 0.00 C ATOM 271 O LYS A 16 3.393 -5.128 6.545 1.00 0.00 O ATOM 272 CB LYS A 16 5.339 -2.508 5.909 1.00 0.00 C ATOM 273 CG LYS A 16 6.522 -3.430 6.258 1.00 0.00 C ATOM 274 CD LYS A 16 7.348 -3.816 5.014 1.00 0.00 C ATOM 275 CE LYS A 16 8.356 -4.944 5.284 1.00 0.00 C ATOM 276 NZ LYS A 16 9.436 -4.539 6.223 1.00 0.00 N ATOM 0 H LYS A 16 3.658 -1.366 4.524 1.00 0.00 H new ATOM 0 HA LYS A 16 4.578 -4.075 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.681 -1.722 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.983 -2.019 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.168 -2.931 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.146 -4.334 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.671 -4.125 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.883 -2.937 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.829 -5.806 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.801 -5.261 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.087 -5.337 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.960 -3.734 5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.018 -4.262 7.134 1.00 0.00 H new ATOM 290 N LEU A 17 2.333 -3.167 6.854 1.00 0.00 N ATOM 291 CA LEU A 17 1.248 -3.690 7.686 1.00 0.00 C ATOM 292 C LEU A 17 0.358 -4.692 6.929 1.00 0.00 C ATOM 293 O LEU A 17 0.028 -5.753 7.458 1.00 0.00 O ATOM 294 CB LEU A 17 0.445 -2.486 8.214 1.00 0.00 C ATOM 295 CG LEU A 17 0.876 -2.029 9.618 1.00 0.00 C ATOM 296 CD1 LEU A 17 0.099 -0.770 9.983 1.00 0.00 C ATOM 297 CD2 LEU A 17 0.626 -3.071 10.714 1.00 0.00 C ATOM 0 H LEU A 17 2.298 -2.155 6.734 1.00 0.00 H new ATOM 0 HA LEU A 17 1.664 -4.256 8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.555 -1.653 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.613 -2.746 8.234 1.00 0.00 H new ATOM 0 HG LEU A 17 1.952 -1.859 9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.395 -0.435 10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.314 0.014 9.257 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.969 -0.987 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.956 -2.675 11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.439 -3.300 10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.183 -3.980 10.486 1.00 0.00 H new ATOM 309 N TYR A 18 0.028 -4.395 5.672 1.00 0.00 N ATOM 310 CA TYR A 18 -0.779 -5.231 4.785 1.00 0.00 C ATOM 311 C TYR A 18 -0.145 -6.596 4.471 1.00 0.00 C ATOM 312 O TYR A 18 -0.881 -7.575 4.358 1.00 0.00 O ATOM 313 CB TYR A 18 -1.143 -4.440 3.511 1.00 0.00 C ATOM 314 CG TYR A 18 -2.492 -3.741 3.586 1.00 0.00 C ATOM 315 CD1 TYR A 18 -3.645 -4.505 3.831 1.00 0.00 C ATOM 316 CD2 TYR A 18 -2.610 -2.345 3.432 1.00 0.00 C ATOM 317 CE1 TYR A 18 -4.899 -3.888 3.987 1.00 0.00 C ATOM 318 CE2 TYR A 18 -3.858 -1.714 3.601 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.003 -2.483 3.910 1.00 0.00 C ATOM 320 OH TYR A 18 -6.201 -1.880 4.135 1.00 0.00 O ATOM 0 H TYR A 18 0.329 -3.528 5.226 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.697 -5.479 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.369 -3.696 3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.144 -5.121 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.567 -5.580 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.739 -1.756 3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.779 -4.488 4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.940 -0.642 3.494 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.101 -0.909 4.044 1.00 0.00 H new ATOM 330 N ARG A 19 1.192 -6.716 4.411 1.00 0.00 N ATOM 331 CA ARG A 19 1.879 -8.025 4.313 1.00 0.00 C ATOM 332 C ARG A 19 1.588 -8.954 5.501 1.00 0.00 C ATOM 333 O ARG A 19 1.371 -10.149 5.308 1.00 0.00 O ATOM 334 CB ARG A 19 3.400 -7.834 4.151 1.00 0.00 C ATOM 335 CG ARG A 19 3.820 -7.626 2.689 1.00 0.00 C ATOM 336 CD ARG A 19 5.348 -7.514 2.586 1.00 0.00 C ATOM 337 NE ARG A 19 5.835 -7.779 1.217 1.00 0.00 N ATOM 338 CZ ARG A 19 6.026 -6.915 0.236 1.00 0.00 C ATOM 339 NH1 ARG A 19 5.736 -5.650 0.351 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.525 -7.316 -0.899 1.00 0.00 N ATOM 0 H ARG A 19 1.827 -5.918 4.429 1.00 0.00 H new ATOM 0 HA ARG A 19 1.476 -8.512 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.719 -6.975 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.916 -8.706 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.467 -8.458 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.355 -6.723 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.659 -6.516 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.810 -8.219 3.277 1.00 0.00 H new ATOM 0 HE ARG A 19 6.051 -8.752 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.346 -5.293 1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.899 -5.016 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.768 -8.298 -1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.672 -6.648 -1.656 1.00 0.00 H new ATOM 354 N GLU A 20 1.542 -8.421 6.721 1.00 0.00 N ATOM 355 CA GLU A 20 1.252 -9.195 7.943 1.00 0.00 C ATOM 356 C GLU A 20 -0.245 -9.451 8.120 1.00 0.00 C ATOM 357 O GLU A 20 -0.669 -10.570 8.414 1.00 0.00 O ATOM 358 CB GLU A 20 1.789 -8.421 9.157 1.00 0.00 C ATOM 359 CG GLU A 20 2.242 -9.328 10.309 1.00 0.00 C ATOM 360 CD GLU A 20 3.551 -10.075 9.975 1.00 0.00 C ATOM 361 OE1 GLU A 20 4.649 -9.492 10.150 1.00 0.00 O ATOM 362 OE2 GLU A 20 3.491 -11.251 9.545 1.00 0.00 O ATOM 0 H GLU A 20 1.706 -7.430 6.898 1.00 0.00 H new ATOM 0 HA GLU A 20 1.740 -10.166 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.628 -7.802 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.014 -7.746 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.386 -8.728 11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.458 -10.052 10.531 1.00 0.00 H new ATOM 369 N ALA A 21 -1.054 -8.425 7.864 1.00 0.00 N ATOM 370 CA ALA A 21 -2.511 -8.544 7.810 1.00 0.00 C ATOM 371 C ALA A 21 -2.974 -9.580 6.768 1.00 0.00 C ATOM 372 O ALA A 21 -3.966 -10.262 6.999 1.00 0.00 O ATOM 373 CB ALA A 21 -3.117 -7.168 7.539 1.00 0.00 C ATOM 0 H ALA A 21 -0.715 -7.480 7.687 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.864 -8.909 8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.203 -7.250 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.835 -6.483 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.746 -6.788 6.587 1.00 0.00 H new ATOM 379 N SER A 22 -2.238 -9.758 5.665 1.00 0.00 N ATOM 380 CA SER A 22 -2.484 -10.813 4.668 1.00 0.00 C ATOM 381 C SER A 22 -2.276 -12.227 5.224 1.00 0.00 C ATOM 382 O SER A 22 -3.016 -13.141 4.854 1.00 0.00 O ATOM 383 CB SER A 22 -1.596 -10.585 3.435 1.00 0.00 C ATOM 384 OG SER A 22 -1.891 -11.508 2.400 1.00 0.00 O ATOM 0 H SER A 22 -1.441 -9.165 5.434 1.00 0.00 H new ATOM 0 HA SER A 22 -3.534 -10.745 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.737 -9.569 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.548 -10.679 3.719 1.00 0.00 H new ATOM 0 HG SER A 22 -1.309 -11.334 1.631 1.00 0.00 H new ATOM 390 N GLU A 23 -1.322 -12.432 6.144 1.00 0.00 N ATOM 391 CA GLU A 23 -1.154 -13.734 6.810 1.00 0.00 C ATOM 392 C GLU A 23 -2.337 -14.051 7.744 1.00 0.00 C ATOM 393 O GLU A 23 -2.835 -15.178 7.785 1.00 0.00 O ATOM 394 CB GLU A 23 0.159 -13.722 7.607 1.00 0.00 C ATOM 395 CG GLU A 23 0.691 -15.118 7.959 1.00 0.00 C ATOM 396 CD GLU A 23 1.183 -15.887 6.717 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.342 -15.676 6.283 1.00 0.00 O ATOM 398 OE2 GLU A 23 0.420 -16.721 6.170 1.00 0.00 O ATOM 0 H GLU A 23 -0.658 -11.718 6.443 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.123 -14.512 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.917 -13.191 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.007 -13.160 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.509 -15.023 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.095 -15.691 8.450 1.00 0.00 H new ATOM 405 N LYS A 24 -2.813 -13.031 8.471 1.00 0.00 N ATOM 406 CA LYS A 24 -3.974 -13.105 9.382 1.00 0.00 C ATOM 407 C LYS A 24 -5.302 -13.298 8.626 1.00 0.00 C ATOM 408 O LYS A 24 -6.087 -14.187 8.963 1.00 0.00 O ATOM 409 CB LYS A 24 -4.010 -11.839 10.256 1.00 0.00 C ATOM 410 CG LYS A 24 -2.764 -11.725 11.152 1.00 0.00 C ATOM 411 CD LYS A 24 -2.794 -10.430 11.972 1.00 0.00 C ATOM 412 CE LYS A 24 -1.484 -10.177 12.735 1.00 0.00 C ATOM 413 NZ LYS A 24 -1.252 -11.167 13.821 1.00 0.00 N ATOM 0 H LYS A 24 -2.392 -12.102 8.444 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.857 -13.984 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.080 -10.959 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.905 -11.853 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.714 -12.583 11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.865 -11.749 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.990 -9.589 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.620 -10.474 12.682 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.649 -10.209 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.505 -9.174 13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.356 -10.950 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.033 -11.121 14.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.204 -12.123 13.415 1.00 0.00 H new ATOM 427 N ALA A 25 -5.523 -12.529 7.558 1.00 0.00 N ATOM 428 CA ALA A 25 -6.708 -12.533 6.686 1.00 0.00 C ATOM 429 C ALA A 25 -6.742 -13.694 5.665 1.00 0.00 C ATOM 430 O ALA A 25 -7.289 -13.542 4.570 1.00 0.00 O ATOM 431 CB ALA A 25 -6.784 -11.173 5.973 1.00 0.00 C ATOM 0 H ALA A 25 -4.835 -11.839 7.256 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.581 -12.695 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.656 -11.153 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.867 -10.378 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.883 -11.023 5.379 1.00 0.00 H new ATOM 437 N ARG A 26 -6.148 -14.854 5.981 1.00 0.00 N ATOM 438 CA ARG A 26 -6.021 -16.007 5.071 1.00 0.00 C ATOM 439 C ARG A 26 -7.353 -16.645 4.615 1.00 0.00 C ATOM 440 O ARG A 26 -7.355 -17.450 3.685 1.00 0.00 O ATOM 441 CB ARG A 26 -5.000 -17.006 5.663 1.00 0.00 C ATOM 442 CG ARG A 26 -5.257 -17.541 7.088 1.00 0.00 C ATOM 443 CD ARG A 26 -6.625 -18.208 7.266 1.00 0.00 C ATOM 444 NE ARG A 26 -6.652 -19.139 8.412 1.00 0.00 N ATOM 445 CZ ARG A 26 -7.024 -18.887 9.655 1.00 0.00 C ATOM 446 NH1 ARG A 26 -7.346 -17.691 10.064 1.00 0.00 N ATOM 447 NH2 ARG A 26 -7.081 -19.854 10.526 1.00 0.00 N ATOM 0 H ARG A 26 -5.732 -15.023 6.897 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.634 -15.635 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.940 -17.861 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.021 -16.527 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.478 -18.260 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.172 -16.716 7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.385 -17.440 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.884 -18.749 6.356 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.346 -20.093 8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.316 -16.905 9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.628 -17.542 11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.839 -20.805 10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.368 -19.660 11.485 1.00 0.00 H new ATOM 461 N ASN A 27 -8.478 -16.282 5.240 1.00 0.00 N ATOM 462 CA ASN A 27 -9.842 -16.620 4.810 1.00 0.00 C ATOM 463 C ASN A 27 -10.146 -15.986 3.429 1.00 0.00 C ATOM 464 O ASN A 27 -9.971 -14.772 3.286 1.00 0.00 O ATOM 465 CB ASN A 27 -10.803 -16.116 5.905 1.00 0.00 C ATOM 466 CG ASN A 27 -12.248 -16.508 5.651 1.00 0.00 C ATOM 467 OD1 ASN A 27 -12.597 -17.678 5.587 1.00 0.00 O ATOM 468 ND2 ASN A 27 -13.138 -15.555 5.492 1.00 0.00 N ATOM 0 H ASN A 27 -8.464 -15.723 6.093 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.963 -17.696 4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.488 -16.515 6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.733 -15.030 5.971 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.114 -15.793 5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.853 -14.577 5.544 1.00 0.00 H new ATOM 475 N PRO A 28 -10.604 -16.747 2.412 1.00 0.00 N ATOM 476 CA PRO A 28 -10.592 -16.297 1.016 1.00 0.00 C ATOM 477 C PRO A 28 -11.480 -15.072 0.750 1.00 0.00 C ATOM 478 O PRO A 28 -11.140 -14.231 -0.080 1.00 0.00 O ATOM 479 CB PRO A 28 -11.003 -17.510 0.174 1.00 0.00 C ATOM 480 CG PRO A 28 -11.760 -18.403 1.153 1.00 0.00 C ATOM 481 CD PRO A 28 -11.069 -18.123 2.486 1.00 0.00 C ATOM 0 HA PRO A 28 -9.595 -15.946 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.632 -17.217 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.134 -18.020 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.820 -18.153 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.689 -19.455 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.758 -18.258 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.237 -18.809 2.646 1.00 0.00 H new ATOM 489 N GLU A 29 -12.578 -14.924 1.497 1.00 0.00 N ATOM 490 CA GLU A 29 -13.484 -13.768 1.420 1.00 0.00 C ATOM 491 C GLU A 29 -12.757 -12.431 1.638 1.00 0.00 C ATOM 492 O GLU A 29 -12.898 -11.492 0.855 1.00 0.00 O ATOM 493 CB GLU A 29 -14.603 -13.953 2.462 1.00 0.00 C ATOM 494 CG GLU A 29 -15.858 -13.115 2.188 1.00 0.00 C ATOM 495 CD GLU A 29 -16.659 -13.653 0.984 1.00 0.00 C ATOM 496 OE1 GLU A 29 -17.477 -14.588 1.165 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.481 -13.145 -0.149 1.00 0.00 O ATOM 0 H GLU A 29 -12.870 -15.617 2.187 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.902 -13.726 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.883 -15.006 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.214 -13.694 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.493 -13.112 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.570 -12.081 1.999 1.00 0.00 H new ATOM 504 N LYS A 30 -11.929 -12.379 2.684 1.00 0.00 N ATOM 505 CA LYS A 30 -11.106 -11.222 3.071 1.00 0.00 C ATOM 506 C LYS A 30 -9.797 -11.146 2.290 1.00 0.00 C ATOM 507 O LYS A 30 -9.417 -10.052 1.873 1.00 0.00 O ATOM 508 CB LYS A 30 -10.895 -11.231 4.595 1.00 0.00 C ATOM 509 CG LYS A 30 -10.414 -9.863 5.114 1.00 0.00 C ATOM 510 CD LYS A 30 -10.298 -9.809 6.647 1.00 0.00 C ATOM 511 CE LYS A 30 -11.671 -9.876 7.333 1.00 0.00 C ATOM 512 NZ LYS A 30 -11.553 -9.763 8.811 1.00 0.00 N ATOM 0 H LYS A 30 -11.806 -13.173 3.313 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.641 -10.310 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.828 -11.500 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.164 -11.996 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.444 -9.634 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.106 -9.090 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.680 -10.637 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.791 -8.889 6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.306 -9.074 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.160 -10.816 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.499 -9.812 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.968 -10.543 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.109 -8.855 9.055 1.00 0.00 H new ATOM 526 N LYS A 31 -9.175 -12.289 1.977 1.00 0.00 N ATOM 527 CA LYS A 31 -8.027 -12.393 1.053 1.00 0.00 C ATOM 528 C LYS A 31 -8.279 -11.773 -0.330 1.00 0.00 C ATOM 529 O LYS A 31 -7.350 -11.254 -0.943 1.00 0.00 O ATOM 530 CB LYS A 31 -7.578 -13.863 0.952 1.00 0.00 C ATOM 531 CG LYS A 31 -6.202 -14.100 0.306 1.00 0.00 C ATOM 532 CD LYS A 31 -5.032 -13.503 1.107 1.00 0.00 C ATOM 533 CE LYS A 31 -3.676 -13.773 0.441 1.00 0.00 C ATOM 534 NZ LYS A 31 -3.254 -15.196 0.549 1.00 0.00 N ATOM 0 H LYS A 31 -9.458 -13.189 2.364 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.219 -11.796 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.566 -14.289 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.326 -14.413 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.043 -15.172 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.202 -13.670 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.176 -12.428 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.031 -13.923 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.731 -13.494 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.918 -13.138 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.333 -15.321 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.173 -15.459 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.961 -15.804 0.088 1.00 0.00 H new ATOM 548 N SER A 32 -9.537 -11.738 -0.768 1.00 0.00 N ATOM 549 CA SER A 32 -9.989 -11.096 -2.019 1.00 0.00 C ATOM 550 C SER A 32 -10.590 -9.691 -1.840 1.00 0.00 C ATOM 551 O SER A 32 -11.055 -9.091 -2.812 1.00 0.00 O ATOM 552 CB SER A 32 -10.970 -12.019 -2.756 1.00 0.00 C ATOM 553 OG SER A 32 -10.309 -13.209 -3.165 1.00 0.00 O ATOM 0 H SER A 32 -10.302 -12.169 -0.249 1.00 0.00 H new ATOM 0 HA SER A 32 -9.092 -10.944 -2.619 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.809 -12.265 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.381 -11.505 -3.625 1.00 0.00 H new ATOM 0 HG SER A 32 -10.943 -13.792 -3.632 1.00 0.00 H new ATOM 559 N VAL A 33 -10.526 -9.128 -0.628 1.00 0.00 N ATOM 560 CA VAL A 33 -10.926 -7.741 -0.307 1.00 0.00 C ATOM 561 C VAL A 33 -9.702 -6.882 0.004 1.00 0.00 C ATOM 562 O VAL A 33 -9.565 -5.816 -0.601 1.00 0.00 O ATOM 563 CB VAL A 33 -11.965 -7.699 0.835 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.190 -6.295 1.417 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.325 -8.191 0.323 1.00 0.00 C ATOM 0 H VAL A 33 -10.184 -9.637 0.187 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.410 -7.319 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.558 -8.338 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.932 -6.346 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.252 -5.913 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.546 -5.628 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.053 -8.159 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.661 -7.549 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.229 -9.215 -0.038 1.00 0.00 H new ATOM 575 N LEU A 34 -8.748 -7.342 0.834 1.00 0.00 N ATOM 576 CA LEU A 34 -7.496 -6.593 1.018 1.00 0.00 C ATOM 577 C LEU A 34 -6.637 -6.560 -0.271 1.00 0.00 C ATOM 578 O LEU A 34 -5.822 -5.655 -0.451 1.00 0.00 O ATOM 579 CB LEU A 34 -6.776 -7.032 2.313 1.00 0.00 C ATOM 580 CG LEU A 34 -5.724 -8.114 2.122 1.00 0.00 C ATOM 581 CD1 LEU A 34 -4.902 -8.331 3.390 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.288 -9.470 1.743 1.00 0.00 C ATOM 0 H LEU A 34 -8.817 -8.205 1.374 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.726 -5.540 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.302 -6.159 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.521 -7.391 3.023 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.114 -7.737 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.161 -9.111 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.396 -7.404 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.561 -8.633 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.472 -10.184 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.963 -9.815 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.835 -9.387 0.804 1.00 0.00 H new ATOM 594 N GLN A 35 -6.865 -7.489 -1.210 1.00 0.00 N ATOM 595 CA GLN A 35 -6.226 -7.531 -2.522 1.00 0.00 C ATOM 596 C GLN A 35 -6.556 -6.309 -3.401 1.00 0.00 C ATOM 597 O GLN A 35 -5.698 -5.827 -4.139 1.00 0.00 O ATOM 598 CB GLN A 35 -6.668 -8.831 -3.220 1.00 0.00 C ATOM 599 CG GLN A 35 -5.544 -9.868 -3.340 1.00 0.00 C ATOM 600 CD GLN A 35 -4.445 -9.437 -4.311 1.00 0.00 C ATOM 601 OE1 GLN A 35 -3.420 -8.887 -3.932 1.00 0.00 O ATOM 602 NE2 GLN A 35 -4.611 -9.666 -5.598 1.00 0.00 N ATOM 0 H GLN A 35 -7.523 -8.255 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.146 -7.505 -2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.499 -9.268 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.040 -8.592 -4.216 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.107 -10.040 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.965 -10.817 -3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.460 -10.124 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.890 -9.386 -6.263 1.00 0.00 H new ATOM 611 N LYS A 36 -7.786 -5.781 -3.321 1.00 0.00 N ATOM 612 CA LYS A 36 -8.216 -4.626 -4.132 1.00 0.00 C ATOM 613 C LYS A 36 -7.593 -3.317 -3.646 1.00 0.00 C ATOM 614 O LYS A 36 -7.199 -2.489 -4.466 1.00 0.00 O ATOM 615 CB LYS A 36 -9.756 -4.557 -4.172 1.00 0.00 C ATOM 616 CG LYS A 36 -10.375 -5.741 -4.938 1.00 0.00 C ATOM 617 CD LYS A 36 -10.215 -5.616 -6.465 1.00 0.00 C ATOM 618 CE LYS A 36 -10.235 -6.974 -7.183 1.00 0.00 C ATOM 619 NZ LYS A 36 -11.519 -7.702 -7.008 1.00 0.00 N ATOM 0 H LYS A 36 -8.509 -6.138 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.853 -4.769 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.143 -4.544 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.063 -3.623 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.908 -6.668 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.435 -5.811 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.016 -4.991 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.276 -5.108 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.053 -6.820 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.419 -7.591 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.475 -8.610 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.684 -7.877 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.298 -7.130 -7.392 1.00 0.00 H new ATOM 633 N ILE A 37 -7.406 -3.176 -2.330 1.00 0.00 N ATOM 634 CA ILE A 37 -6.539 -2.142 -1.746 1.00 0.00 C ATOM 635 C ILE A 37 -5.098 -2.355 -2.225 1.00 0.00 C ATOM 636 O ILE A 37 -4.514 -1.416 -2.746 1.00 0.00 O ATOM 637 CB ILE A 37 -6.644 -2.191 -0.204 1.00 0.00 C ATOM 638 CG1 ILE A 37 -7.959 -1.619 0.362 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.484 -1.450 0.480 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.593 -2.531 1.418 1.00 0.00 C ATOM 0 H ILE A 37 -7.852 -3.776 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.859 -1.152 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.607 -3.257 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.766 -0.640 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.666 -1.468 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.601 -1.511 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.538 -1.908 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.489 -0.404 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.516 -2.079 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.814 -3.502 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.900 -2.661 2.249 1.00 0.00 H new ATOM 652 N LEU A 38 -4.524 -3.563 -2.129 1.00 0.00 N ATOM 653 CA LEU A 38 -3.151 -3.831 -2.592 1.00 0.00 C ATOM 654 C LEU A 38 -2.898 -3.373 -4.045 1.00 0.00 C ATOM 655 O LEU A 38 -1.856 -2.773 -4.316 1.00 0.00 O ATOM 656 CB LEU A 38 -2.806 -5.320 -2.387 1.00 0.00 C ATOM 657 CG LEU A 38 -2.353 -5.650 -0.952 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.549 -7.132 -0.634 1.00 0.00 C ATOM 659 CD2 LEU A 38 -0.864 -5.338 -0.776 1.00 0.00 C ATOM 0 H LEU A 38 -4.993 -4.377 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.478 -3.229 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.679 -5.925 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.016 -5.602 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.959 -5.042 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.220 -7.332 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.604 -7.389 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.963 -7.734 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.560 -5.577 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.282 -5.935 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.689 -4.279 -0.968 1.00 0.00 H new ATOM 671 N GLU A 39 -3.847 -3.572 -4.965 1.00 0.00 N ATOM 672 CA GLU A 39 -3.718 -3.094 -6.350 1.00 0.00 C ATOM 673 C GLU A 39 -3.867 -1.572 -6.516 1.00 0.00 C ATOM 674 O GLU A 39 -3.128 -0.957 -7.287 1.00 0.00 O ATOM 675 CB GLU A 39 -4.740 -3.808 -7.251 1.00 0.00 C ATOM 676 CG GLU A 39 -4.438 -5.299 -7.450 1.00 0.00 C ATOM 677 CD GLU A 39 -5.462 -5.941 -8.407 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.583 -6.293 -7.966 1.00 0.00 O ATOM 679 OE2 GLU A 39 -5.150 -6.101 -9.613 1.00 0.00 O ATOM 0 H GLU A 39 -4.720 -4.064 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.698 -3.335 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.734 -3.701 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.762 -3.316 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.432 -5.421 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.461 -5.811 -6.488 1.00 0.00 H new ATOM 686 N ASP A 40 -4.775 -0.943 -5.775 1.00 0.00 N ATOM 687 CA ASP A 40 -4.918 0.507 -5.695 1.00 0.00 C ATOM 688 C ASP A 40 -3.675 1.176 -5.093 1.00 0.00 C ATOM 689 O ASP A 40 -3.221 2.207 -5.586 1.00 0.00 O ATOM 690 CB ASP A 40 -6.137 0.764 -4.801 1.00 0.00 C ATOM 691 CG ASP A 40 -7.494 0.813 -5.520 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.579 0.663 -6.763 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.493 1.023 -4.795 1.00 0.00 O ATOM 0 H ASP A 40 -5.451 -1.443 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.040 0.930 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.178 -0.016 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.989 1.710 -4.280 1.00 0.00 H new ATOM 698 N GLU A 41 -3.091 0.580 -4.052 1.00 0.00 N ATOM 699 CA GLU A 41 -1.917 1.146 -3.385 1.00 0.00 C ATOM 700 C GLU A 41 -0.674 0.988 -4.270 1.00 0.00 C ATOM 701 O GLU A 41 0.141 1.902 -4.344 1.00 0.00 O ATOM 702 CB GLU A 41 -1.684 0.524 -1.996 1.00 0.00 C ATOM 703 CG GLU A 41 -2.783 0.711 -0.928 1.00 0.00 C ATOM 704 CD GLU A 41 -3.118 2.143 -0.522 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.514 3.128 -1.011 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.067 2.331 0.285 1.00 0.00 O ATOM 0 H GLU A 41 -3.414 -0.300 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.107 2.208 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.527 -0.546 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.756 0.934 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.695 0.241 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.482 0.167 -0.033 1.00 0.00 H new ATOM 713 N GLU A 42 -0.558 -0.107 -5.029 1.00 0.00 N ATOM 714 CA GLU A 42 0.471 -0.251 -6.066 1.00 0.00 C ATOM 715 C GLU A 42 0.394 0.869 -7.122 1.00 0.00 C ATOM 716 O GLU A 42 1.427 1.421 -7.508 1.00 0.00 O ATOM 717 CB GLU A 42 0.380 -1.650 -6.699 1.00 0.00 C ATOM 718 CG GLU A 42 1.537 -1.932 -7.667 1.00 0.00 C ATOM 719 CD GLU A 42 1.497 -3.389 -8.168 1.00 0.00 C ATOM 720 OE1 GLU A 42 0.810 -3.669 -9.181 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.162 -4.264 -7.562 1.00 0.00 O ATOM 0 H GLU A 42 -1.173 -0.917 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 42 1.449 -0.149 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.378 -2.403 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.566 -1.744 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.480 -1.250 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.487 -1.741 -7.168 1.00 0.00 H new ATOM 728 N LYS A 43 -0.818 1.272 -7.536 1.00 0.00 N ATOM 729 CA LYS A 43 -1.020 2.410 -8.453 1.00 0.00 C ATOM 730 C LYS A 43 -0.584 3.738 -7.832 1.00 0.00 C ATOM 731 O LYS A 43 0.073 4.531 -8.502 1.00 0.00 O ATOM 732 CB LYS A 43 -2.481 2.479 -8.935 1.00 0.00 C ATOM 733 CG LYS A 43 -2.632 2.932 -10.395 1.00 0.00 C ATOM 734 CD LYS A 43 -2.196 1.845 -11.396 1.00 0.00 C ATOM 735 CE LYS A 43 -2.460 2.239 -12.857 1.00 0.00 C ATOM 736 NZ LYS A 43 -3.907 2.207 -13.204 1.00 0.00 N ATOM 0 H LYS A 43 -1.685 0.820 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.381 2.238 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.938 1.496 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.034 3.165 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.672 3.200 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.037 3.831 -10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.133 1.643 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.726 0.919 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.069 3.241 -13.036 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.917 1.562 -13.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.031 2.481 -14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.277 1.246 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.425 2.872 -12.595 1.00 0.00 H new ATOM 750 N HIS A 44 -0.860 3.978 -6.546 1.00 0.00 N ATOM 751 CA HIS A 44 -0.361 5.129 -5.826 1.00 0.00 C ATOM 752 C HIS A 44 1.164 5.130 -5.756 1.00 0.00 C ATOM 753 O HIS A 44 1.775 6.165 -5.995 1.00 0.00 O ATOM 754 CB HIS A 44 -0.943 5.101 -4.415 1.00 0.00 C ATOM 755 CG HIS A 44 -2.440 5.111 -4.275 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.143 4.964 -3.065 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.327 5.252 -5.299 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.447 4.983 -3.428 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.573 5.148 -4.754 1.00 0.00 N ATOM 0 H HIS A 44 -1.444 3.364 -5.979 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.665 6.034 -6.352 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.566 4.209 -3.914 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.550 5.961 -3.873 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.757 4.865 -2.126 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.090 5.415 -6.340 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.275 4.879 -2.742 1.00 0.00 H new ATOM 767 N ILE A 45 1.779 3.978 -5.475 1.00 0.00 N ATOM 768 CA ILE A 45 3.235 3.810 -5.399 1.00 0.00 C ATOM 769 C ILE A 45 3.909 4.098 -6.755 1.00 0.00 C ATOM 770 O ILE A 45 4.938 4.776 -6.776 1.00 0.00 O ATOM 771 CB ILE A 45 3.571 2.422 -4.785 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.755 2.507 -3.247 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.853 1.799 -5.361 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.515 2.859 -2.418 1.00 0.00 C ATOM 0 H ILE A 45 1.267 3.115 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 45 3.661 4.553 -4.725 1.00 0.00 H new ATOM 0 HB ILE A 45 2.718 1.794 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.135 1.547 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.525 3.250 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.031 0.832 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.740 1.664 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.698 2.459 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.780 2.886 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.139 3.836 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.743 2.106 -2.580 1.00 0.00 H new ATOM 786 N GLU A 46 3.315 3.694 -7.888 1.00 0.00 N ATOM 787 CA GLU A 46 3.774 4.099 -9.223 1.00 0.00 C ATOM 788 C GLU A 46 3.804 5.620 -9.378 1.00 0.00 C ATOM 789 O GLU A 46 4.804 6.181 -9.829 1.00 0.00 O ATOM 790 CB GLU A 46 2.846 3.542 -10.313 1.00 0.00 C ATOM 791 CG GLU A 46 3.006 2.062 -10.645 1.00 0.00 C ATOM 792 CD GLU A 46 4.353 1.760 -11.330 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.460 1.935 -12.568 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.313 1.340 -10.641 1.00 0.00 O ATOM 0 H GLU A 46 2.503 3.077 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 46 4.782 3.699 -9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.815 3.714 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.006 4.117 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.927 1.476 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.191 1.748 -11.297 1.00 0.00 H new ATOM 801 N TRP A 47 2.719 6.297 -8.999 1.00 0.00 N ATOM 802 CA TRP A 47 2.577 7.732 -9.162 1.00 0.00 C ATOM 803 C TRP A 47 3.503 8.490 -8.205 1.00 0.00 C ATOM 804 O TRP A 47 4.133 9.456 -8.612 1.00 0.00 O ATOM 805 CB TRP A 47 1.124 8.145 -8.912 1.00 0.00 C ATOM 806 CG TRP A 47 0.006 7.484 -9.673 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.043 6.910 -10.905 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.380 7.362 -9.224 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.203 6.376 -11.197 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.124 6.648 -10.206 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.083 7.799 -8.080 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.490 6.359 -10.047 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.459 7.539 -7.916 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.158 6.802 -8.890 1.00 0.00 C ATOM 0 H TRP A 47 1.909 5.853 -8.566 1.00 0.00 H new ATOM 0 HA TRP A 47 2.857 7.987 -10.184 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.924 7.997 -7.851 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.055 9.216 -9.103 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.906 6.875 -11.553 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.413 5.846 -12.043 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.554 8.345 -7.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.022 5.803 -10.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.977 7.906 -7.042 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.205 6.577 -8.750 1.00 0.00 H new ATOM 825 N LEU A 48 3.648 8.031 -6.960 1.00 0.00 N ATOM 826 CA LEU A 48 4.583 8.566 -5.965 1.00 0.00 C ATOM 827 C LEU A 48 6.021 8.589 -6.484 1.00 0.00 C ATOM 828 O LEU A 48 6.702 9.614 -6.438 1.00 0.00 O ATOM 829 CB LEU A 48 4.522 7.687 -4.700 1.00 0.00 C ATOM 830 CG LEU A 48 3.862 8.312 -3.475 1.00 0.00 C ATOM 831 CD1 LEU A 48 4.490 9.651 -3.084 1.00 0.00 C ATOM 832 CD2 LEU A 48 2.358 8.506 -3.639 1.00 0.00 C ATOM 0 H LEU A 48 3.099 7.249 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 48 4.289 9.592 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.987 6.770 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.539 7.401 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 48 4.036 7.590 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.981 10.049 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.546 9.505 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.392 10.354 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.948 8.954 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.166 9.162 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.883 7.540 -3.813 1.00 0.00 H new ATOM 844 N GLU A 49 6.465 7.453 -7.016 1.00 0.00 N ATOM 845 CA GLU A 49 7.787 7.343 -7.650 1.00 0.00 C ATOM 846 C GLU A 49 7.901 8.213 -8.902 1.00 0.00 C ATOM 847 O GLU A 49 8.933 8.838 -9.147 1.00 0.00 O ATOM 848 CB GLU A 49 8.065 5.881 -8.024 1.00 0.00 C ATOM 849 CG GLU A 49 9.571 5.598 -8.077 1.00 0.00 C ATOM 850 CD GLU A 49 9.864 4.138 -8.473 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.845 3.818 -9.688 1.00 0.00 O ATOM 852 OE2 GLU A 49 10.148 3.305 -7.578 1.00 0.00 O ATOM 0 H GLU A 49 5.928 6.586 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 49 8.523 7.696 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.594 5.221 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.616 5.659 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.043 6.271 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.015 5.807 -7.104 1.00 0.00 H new ATOM 859 N THR A 50 6.818 8.298 -9.672 1.00 0.00 N ATOM 860 CA THR A 50 6.726 9.175 -10.847 1.00 0.00 C ATOM 861 C THR A 50 6.801 10.671 -10.491 1.00 0.00 C ATOM 862 O THR A 50 7.328 11.473 -11.266 1.00 0.00 O ATOM 863 CB THR A 50 5.451 8.833 -11.630 1.00 0.00 C ATOM 864 OG1 THR A 50 5.507 7.504 -12.104 1.00 0.00 O ATOM 865 CG2 THR A 50 5.248 9.700 -12.854 1.00 0.00 C ATOM 0 H THR A 50 5.970 7.757 -9.500 1.00 0.00 H new ATOM 0 HA THR A 50 7.596 8.991 -11.477 1.00 0.00 H new ATOM 0 HB THR A 50 4.634 8.994 -10.926 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.416 6.884 -11.351 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.329 9.405 -13.361 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.176 10.745 -12.552 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.092 9.575 -13.532 1.00 0.00 H new ATOM 873 N ILE A 51 6.319 11.048 -9.305 1.00 0.00 N ATOM 874 CA ILE A 51 6.344 12.416 -8.752 1.00 0.00 C ATOM 875 C ILE A 51 7.724 12.805 -8.199 1.00 0.00 C ATOM 876 O ILE A 51 8.079 13.985 -8.172 1.00 0.00 O ATOM 877 CB ILE A 51 5.193 12.584 -7.721 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.814 12.574 -8.428 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.287 13.875 -6.887 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.657 12.204 -7.486 1.00 0.00 C ATOM 0 H ILE A 51 5.879 10.382 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 51 6.168 13.123 -9.563 1.00 0.00 H new ATOM 0 HB ILE A 51 5.296 11.736 -7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.625 13.558 -8.857 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.842 11.865 -9.256 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.449 13.920 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.223 13.880 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.255 14.740 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.719 12.215 -8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.825 11.208 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.605 12.927 -6.672 1.00 0.00 H new ATOM 892 N ASN A 52 8.526 11.815 -7.810 1.00 0.00 N ATOM 893 CA ASN A 52 9.927 11.995 -7.400 1.00 0.00 C ATOM 894 C ASN A 52 10.826 12.486 -8.563 1.00 0.00 C ATOM 895 O ASN A 52 10.464 12.390 -9.739 1.00 0.00 O ATOM 896 CB ASN A 52 10.434 10.680 -6.772 1.00 0.00 C ATOM 897 CG ASN A 52 11.727 10.834 -5.982 1.00 0.00 C ATOM 898 OD1 ASN A 52 12.075 11.898 -5.490 1.00 0.00 O ATOM 899 ND2 ASN A 52 12.494 9.777 -5.846 1.00 0.00 N ATOM 0 H ASN A 52 8.218 10.843 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 52 9.980 12.786 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.662 10.282 -6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.588 9.946 -7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.373 9.847 -5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.211 8.886 -6.253 1.00 0.00 H new ATOM 967 N LEU B 4 -7.125 -3.957 12.698 1.00 0.00 N ATOM 968 CA LEU B 4 -7.944 -3.243 11.711 1.00 0.00 C ATOM 969 C LEU B 4 -7.847 -1.714 11.869 1.00 0.00 C ATOM 970 O LEU B 4 -7.525 -1.035 10.893 1.00 0.00 O ATOM 971 CB LEU B 4 -9.364 -3.870 11.747 1.00 0.00 C ATOM 972 CG LEU B 4 -10.566 -2.913 11.759 1.00 0.00 C ATOM 973 CD1 LEU B 4 -10.818 -2.248 10.403 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.838 -3.666 12.147 1.00 0.00 C ATOM 0 HA LEU B 4 -7.570 -3.373 10.695 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.464 -4.524 10.881 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.429 -4.502 12.633 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.322 -2.138 12.486 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.680 -1.585 10.478 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.940 -1.671 10.112 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.014 -3.014 9.653 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -12.682 -2.976 12.152 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -12.024 -4.462 11.426 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -11.717 -4.098 13.141 1.00 0.00 H new ATOM 986 N ARG B 5 -8.017 -1.162 13.082 1.00 0.00 N ATOM 987 CA ARG B 5 -7.810 0.280 13.337 1.00 0.00 C ATOM 988 C ARG B 5 -6.378 0.731 13.050 1.00 0.00 C ATOM 989 O ARG B 5 -6.184 1.848 12.578 1.00 0.00 O ATOM 990 CB ARG B 5 -8.217 0.657 14.775 1.00 0.00 C ATOM 991 CG ARG B 5 -9.720 0.960 14.884 1.00 0.00 C ATOM 992 CD ARG B 5 -10.072 1.458 16.293 1.00 0.00 C ATOM 993 NE ARG B 5 -11.420 2.066 16.330 1.00 0.00 N ATOM 994 CZ ARG B 5 -12.458 1.709 17.068 1.00 0.00 C ATOM 995 NH1 ARG B 5 -12.435 0.676 17.861 1.00 0.00 N ATOM 996 NH2 ARG B 5 -13.559 2.404 17.023 1.00 0.00 N ATOM 0 H ARG B 5 -8.298 -1.692 13.907 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.459 0.810 12.640 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -7.961 -0.159 15.451 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.647 1.528 15.097 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -9.999 1.713 14.147 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.295 0.062 14.656 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.027 0.626 16.996 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -9.332 2.190 16.617 1.00 0.00 H new ATOM 0 HE ARG B 5 -11.568 2.861 15.708 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -11.592 0.105 17.931 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -13.260 0.438 18.412 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -13.621 3.223 16.419 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -14.359 2.129 17.592 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.395 -0.143 13.280 1.00 0.00 N ATOM 1011 CA GLU B 6 -3.974 0.095 12.985 1.00 0.00 C ATOM 1012 C GLU B 6 -3.762 0.507 11.512 1.00 0.00 C ATOM 1013 O GLU B 6 -3.178 1.553 11.220 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.183 -1.181 13.334 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.660 -0.997 13.294 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.153 -0.138 14.473 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -0.861 -0.701 15.555 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.045 1.102 14.327 1.00 0.00 O ATOM 0 H GLU B 6 -5.567 -1.062 13.688 1.00 0.00 H new ATOM 0 HA GLU B 6 -3.611 0.926 13.590 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.473 -1.516 14.330 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.462 -1.972 12.638 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.176 -1.973 13.321 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.376 -0.526 12.353 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.304 -0.292 10.585 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.306 -0.048 9.149 1.00 0.00 C ATOM 1027 C LEU B 7 -5.096 1.206 8.766 1.00 0.00 C ATOM 1028 O LEU B 7 -4.531 2.102 8.147 1.00 0.00 O ATOM 1029 CB LEU B 7 -4.885 -1.300 8.466 1.00 0.00 C ATOM 1030 CG LEU B 7 -3.806 -2.358 8.208 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -3.154 -2.957 9.451 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.390 -3.494 7.374 1.00 0.00 C ATOM 0 H LEU B 7 -4.772 -1.163 10.833 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.285 0.137 8.815 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -5.669 -1.726 9.092 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.350 -1.017 7.522 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.015 -1.821 7.685 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.407 -3.693 9.152 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.674 -2.166 10.027 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -3.915 -3.441 10.064 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.621 -4.245 7.192 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.222 -3.950 7.911 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.745 -3.101 6.422 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.369 1.285 9.169 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.310 2.393 8.913 1.00 0.00 C ATOM 1046 C TYR B 8 -6.713 3.755 9.275 1.00 0.00 C ATOM 1047 O TYR B 8 -6.862 4.712 8.518 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.547 2.126 9.806 1.00 0.00 C ATOM 1049 CG TYR B 8 -9.947 2.496 9.343 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.218 3.682 8.630 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.019 1.670 9.747 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.550 4.031 8.322 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.347 2.013 9.436 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.617 3.196 8.719 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.907 3.532 8.444 1.00 0.00 O ATOM 0 H TYR B 8 -6.799 0.538 9.714 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.556 2.429 7.852 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.556 1.058 10.026 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.376 2.644 10.749 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.406 4.323 8.320 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -10.817 0.765 10.301 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.755 4.942 7.779 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.158 1.371 9.746 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.507 2.839 8.791 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.006 3.845 10.407 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.330 5.076 10.832 1.00 0.00 C ATOM 1067 C LYS B 9 -4.234 5.534 9.883 1.00 0.00 C ATOM 1068 O LYS B 9 -4.292 6.670 9.423 1.00 0.00 O ATOM 1069 CB LYS B 9 -4.821 4.949 12.283 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.824 5.590 13.254 1.00 0.00 C ATOM 1071 CD LYS B 9 -5.311 5.558 14.702 1.00 0.00 C ATOM 1072 CE LYS B 9 -6.124 6.473 15.631 1.00 0.00 C ATOM 1073 NZ LYS B 9 -7.530 6.021 15.805 1.00 0.00 N ATOM 0 H LYS B 9 -5.886 3.066 11.055 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.081 5.865 10.798 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -4.679 3.898 12.536 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -3.850 5.434 12.379 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -6.010 6.622 12.956 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -6.777 5.064 13.193 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -5.352 4.535 15.077 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -4.265 5.863 14.721 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -5.638 6.516 16.606 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -6.121 7.486 15.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -8.029 6.676 16.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -8.007 6.005 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -7.539 5.065 16.215 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.286 4.675 9.522 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.253 5.007 8.542 1.00 0.00 C ATOM 1089 C LEU B 10 -2.829 5.251 7.133 1.00 0.00 C ATOM 1090 O LEU B 10 -2.397 6.171 6.437 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.137 3.950 8.579 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.138 4.250 9.716 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.680 3.015 10.063 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.841 5.361 9.329 1.00 0.00 C ATOM 0 H LEU B 10 -3.211 3.730 9.899 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.806 5.962 8.819 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.571 2.960 8.722 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.613 3.933 7.623 1.00 0.00 H new ATOM 0 HG LEU B 10 -0.734 4.565 10.573 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.376 3.254 10.867 1.00 0.00 H new ATOM 0 HD12 LEU B 10 0.013 2.216 10.386 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.238 2.689 9.185 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.529 5.544 10.155 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.405 5.058 8.447 1.00 0.00 H new ATOM 0 HD23 LEU B 10 0.287 6.274 9.109 1.00 0.00 H new ATOM 1106 N GLU B 11 -3.875 4.511 6.762 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.740 4.775 5.605 1.00 0.00 C ATOM 1108 C GLU B 11 -5.342 6.196 5.643 1.00 0.00 C ATOM 1109 O GLU B 11 -5.306 6.888 4.624 1.00 0.00 O ATOM 1110 CB GLU B 11 -5.805 3.646 5.532 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.417 2.477 4.606 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.543 2.759 3.100 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.696 3.296 2.367 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.430 2.330 2.341 1.00 0.00 O ATOM 0 H GLU B 11 -4.156 3.677 7.278 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.156 4.758 4.685 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -5.978 3.259 6.536 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.748 4.071 5.187 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.387 2.193 4.820 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.042 1.619 4.851 1.00 0.00 H new ATOM 1121 N GLN B 12 -5.806 6.697 6.799 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.352 8.049 6.925 1.00 0.00 C ATOM 1123 C GLN B 12 -5.322 9.158 7.154 1.00 0.00 C ATOM 1124 O GLN B 12 -5.569 10.300 6.779 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.427 8.062 8.009 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.691 7.386 7.468 1.00 0.00 C ATOM 1127 CD GLN B 12 -9.853 7.427 8.460 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -9.719 7.149 9.644 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.043 7.787 8.024 1.00 0.00 N ATOM 0 H GLN B 12 -5.811 6.171 7.673 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.782 8.289 5.952 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.072 7.540 8.897 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.647 9.087 8.308 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -8.992 7.876 6.542 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.466 6.348 7.221 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.176 8.023 7.041 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -11.831 7.830 8.670 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.147 8.846 7.684 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.034 9.798 7.798 1.00 0.00 C ATOM 1140 C GLN B 13 -2.475 10.178 6.427 1.00 0.00 C ATOM 1141 O GLN B 13 -2.157 11.348 6.215 1.00 0.00 O ATOM 1142 CB GLN B 13 -1.926 9.216 8.690 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.302 9.240 10.179 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.339 8.402 11.017 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -1.632 7.285 11.427 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -0.151 8.893 11.300 1.00 0.00 N ATOM 0 H GLN B 13 -3.931 7.919 8.052 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.419 10.708 8.259 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.720 8.190 8.386 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.007 9.783 8.541 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -2.298 10.269 10.539 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -3.317 8.863 10.304 1.00 0.00 H new ATOM 0 HE21 GLN B 13 0.110 9.821 10.967 1.00 0.00 H new ATOM 0 HE22 GLN B 13 0.509 8.345 11.852 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.443 9.244 5.466 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.154 9.588 4.079 1.00 0.00 C ATOM 1157 C ALA B 14 -3.276 10.466 3.506 1.00 0.00 C ATOM 1158 O ALA B 14 -2.987 11.495 2.909 1.00 0.00 O ATOM 1159 CB ALA B 14 -1.958 8.296 3.275 1.00 0.00 C ATOM 0 H ALA B 14 -2.614 8.252 5.629 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.234 10.169 4.017 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.741 8.543 2.236 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.127 7.729 3.694 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.867 7.696 3.323 1.00 0.00 H new ATOM 1165 N MET B 15 -4.548 10.125 3.751 1.00 0.00 N ATOM 1166 CA MET B 15 -5.713 10.899 3.269 1.00 0.00 C ATOM 1167 C MET B 15 -5.718 12.337 3.795 1.00 0.00 C ATOM 1168 O MET B 15 -6.010 13.264 3.042 1.00 0.00 O ATOM 1169 CB MET B 15 -7.043 10.250 3.683 1.00 0.00 C ATOM 1170 CG MET B 15 -7.370 8.957 2.931 1.00 0.00 C ATOM 1171 SD MET B 15 -9.055 8.913 2.259 1.00 0.00 S ATOM 1172 CE MET B 15 -8.886 10.220 1.013 1.00 0.00 C ATOM 0 H MET B 15 -4.805 9.300 4.292 1.00 0.00 H new ATOM 0 HA MET B 15 -5.619 10.906 2.183 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.014 10.038 4.752 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.849 10.965 3.521 1.00 0.00 H new ATOM 0 HG2 MET B 15 -6.659 8.832 2.114 1.00 0.00 H new ATOM 0 HG3 MET B 15 -7.234 8.111 3.604 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.703 10.146 0.295 1.00 0.00 H new ATOM 0 HE2 MET B 15 -8.919 11.194 1.501 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.935 10.106 0.493 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.377 12.542 5.070 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.312 13.870 5.690 1.00 0.00 C ATOM 1184 C LYS B 16 -4.196 14.711 5.079 1.00 0.00 C ATOM 1185 O LYS B 16 -4.420 15.876 4.750 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.116 13.681 7.204 1.00 0.00 C ATOM 1187 CG LYS B 16 -5.584 14.858 8.075 1.00 0.00 C ATOM 1188 CD LYS B 16 -7.109 15.069 8.006 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.661 15.846 9.211 1.00 0.00 C ATOM 1190 NZ LYS B 16 -7.147 17.240 9.286 1.00 0.00 N ATOM 0 H LYS B 16 -5.136 11.784 5.708 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.239 14.413 5.507 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.652 12.784 7.515 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.058 13.504 7.398 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -5.291 14.680 9.110 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -5.079 15.769 7.753 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -7.355 15.606 7.090 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -7.603 14.099 7.949 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.749 15.868 9.155 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -7.400 15.318 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -7.553 17.715 10.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -6.110 17.224 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -7.418 17.757 8.425 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.034 14.094 4.836 1.00 0.00 N ATOM 1205 CA LEU B 17 -1.965 14.699 4.042 1.00 0.00 C ATOM 1206 C LEU B 17 -2.428 15.052 2.623 1.00 0.00 C ATOM 1207 O LEU B 17 -2.238 16.178 2.178 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.744 13.755 4.024 1.00 0.00 C ATOM 1209 CG LEU B 17 0.482 14.448 4.631 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.609 13.445 4.840 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.012 15.588 3.755 1.00 0.00 C ATOM 0 H LEU B 17 -2.811 13.162 5.185 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.679 15.641 4.509 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.970 12.848 4.584 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.527 13.451 3.000 1.00 0.00 H new ATOM 0 HG LEU B 17 0.154 14.868 5.582 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.472 13.952 5.271 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.275 12.658 5.516 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.888 13.006 3.882 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.880 16.042 4.234 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.300 15.194 2.780 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.234 16.340 3.626 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.096 14.119 1.947 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.617 14.253 0.586 1.00 0.00 C ATOM 1225 C TYR B 18 -4.659 15.378 0.442 1.00 0.00 C ATOM 1226 O TYR B 18 -4.608 16.128 -0.536 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.177 12.888 0.130 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.183 11.985 -0.578 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.585 12.424 -1.771 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -2.867 10.709 -0.073 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.595 11.647 -2.399 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -1.866 9.932 -0.684 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.206 10.417 -1.832 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.220 9.687 -2.414 1.00 0.00 O ATOM 0 H TYR B 18 -3.299 13.205 2.352 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.794 14.548 -0.066 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.563 12.362 1.003 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.022 13.064 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -2.887 13.364 -2.209 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.395 10.325 0.787 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.134 11.992 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.604 8.967 -0.275 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.072 8.867 -1.898 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.571 15.552 1.411 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.568 16.641 1.403 1.00 0.00 C ATOM 1246 C ARG B 19 -5.926 18.025 1.506 1.00 0.00 C ATOM 1247 O ARG B 19 -6.292 18.932 0.761 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.580 16.440 2.546 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.620 15.356 2.218 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.589 15.104 3.384 1.00 0.00 C ATOM 1251 NE ARG B 19 -10.341 16.316 3.774 1.00 0.00 N ATOM 1252 CZ ARG B 19 -11.412 16.829 3.189 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.970 16.280 2.146 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -11.948 17.924 3.645 1.00 0.00 N ATOM 0 H ARG B 19 -5.640 14.942 2.225 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.083 16.597 0.444 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.047 16.166 3.457 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -8.091 17.382 2.747 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.187 15.655 1.336 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.107 14.427 1.968 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -10.292 14.320 3.103 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.029 14.737 4.244 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.993 16.817 4.592 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.582 15.423 1.752 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -12.795 16.707 1.725 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -11.543 18.391 4.456 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -12.773 18.315 3.191 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.951 18.191 2.397 1.00 0.00 N ATOM 1269 CA GLU B 20 -4.262 19.474 2.605 1.00 0.00 C ATOM 1270 C GLU B 20 -3.256 19.767 1.490 1.00 0.00 C ATOM 1271 O GLU B 20 -3.167 20.892 0.995 1.00 0.00 O ATOM 1272 CB GLU B 20 -3.560 19.431 3.972 1.00 0.00 C ATOM 1273 CG GLU B 20 -3.673 20.727 4.787 1.00 0.00 C ATOM 1274 CD GLU B 20 -2.861 21.900 4.201 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -1.611 21.808 4.144 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -3.468 22.941 3.853 1.00 0.00 O ATOM 0 H GLU B 20 -4.612 17.441 2.999 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.996 20.279 2.583 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.979 18.612 4.556 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.505 19.205 3.817 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -4.722 21.017 4.848 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.335 20.536 5.806 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.565 18.727 1.022 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.738 18.783 -0.176 1.00 0.00 C ATOM 1285 C ALA B 21 -2.543 19.271 -1.389 1.00 0.00 C ATOM 1286 O ALA B 21 -2.056 20.131 -2.109 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.082 17.422 -0.435 1.00 0.00 C ATOM 0 H ALA B 21 -2.566 17.812 1.473 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.943 19.511 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.467 17.479 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.457 17.152 0.416 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.855 16.666 -0.572 1.00 0.00 H new ATOM 1293 N SER B 22 -3.784 18.812 -1.585 1.00 0.00 N ATOM 1294 CA SER B 22 -4.667 19.283 -2.669 1.00 0.00 C ATOM 1295 C SER B 22 -5.058 20.769 -2.555 1.00 0.00 C ATOM 1296 O SER B 22 -5.317 21.416 -3.574 1.00 0.00 O ATOM 1297 CB SER B 22 -5.915 18.391 -2.721 1.00 0.00 C ATOM 1298 OG SER B 22 -6.693 18.640 -3.881 1.00 0.00 O ATOM 0 H SER B 22 -4.211 18.098 -0.994 1.00 0.00 H new ATOM 0 HA SER B 22 -4.105 19.206 -3.600 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.614 17.344 -2.703 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.522 18.563 -1.832 1.00 0.00 H new ATOM 0 HG SER B 22 -7.478 18.053 -3.881 1.00 0.00 H new ATOM 1304 N GLU B 23 -5.070 21.353 -1.349 1.00 0.00 N ATOM 1305 CA GLU B 23 -5.285 22.798 -1.161 1.00 0.00 C ATOM 1306 C GLU B 23 -4.066 23.624 -1.614 1.00 0.00 C ATOM 1307 O GLU B 23 -4.205 24.611 -2.337 1.00 0.00 O ATOM 1308 CB GLU B 23 -5.588 23.080 0.319 1.00 0.00 C ATOM 1309 CG GLU B 23 -6.203 24.462 0.584 1.00 0.00 C ATOM 1310 CD GLU B 23 -7.647 24.572 0.055 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -8.596 24.197 0.786 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -7.846 25.043 -1.091 1.00 0.00 O ATOM 0 H GLU B 23 -4.932 20.841 -0.478 1.00 0.00 H new ATOM 0 HA GLU B 23 -6.131 23.097 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -6.269 22.314 0.691 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -4.664 22.990 0.891 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.195 24.661 1.656 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.587 25.228 0.113 1.00 0.00 H new ATOM 1319 N LYS B 24 -2.860 23.205 -1.207 1.00 0.00 N ATOM 1320 CA LYS B 24 -1.588 23.868 -1.557 1.00 0.00 C ATOM 1321 C LYS B 24 -1.200 23.641 -3.024 1.00 0.00 C ATOM 1322 O LYS B 24 -0.895 24.590 -3.747 1.00 0.00 O ATOM 1323 CB LYS B 24 -0.508 23.385 -0.570 1.00 0.00 C ATOM 1324 CG LYS B 24 0.789 24.218 -0.562 1.00 0.00 C ATOM 1325 CD LYS B 24 1.797 23.842 -1.662 1.00 0.00 C ATOM 1326 CE LYS B 24 3.215 24.348 -1.354 1.00 0.00 C ATOM 1327 NZ LYS B 24 3.295 25.833 -1.291 1.00 0.00 N ATOM 0 H LYS B 24 -2.735 22.383 -0.616 1.00 0.00 H new ATOM 0 HA LYS B 24 -1.698 24.948 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -0.929 23.387 0.435 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -0.256 22.351 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS B 24 0.530 25.271 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.272 24.106 0.409 1.00 0.00 H new ATOM 0 HD2 LYS B 24 1.818 22.758 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS B 24 1.464 24.257 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.547 23.930 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.900 23.984 -2.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 4.272 26.119 -1.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 3.005 26.235 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 2.663 26.183 -0.543 1.00 0.00 H new ATOM 1341 N ALA B 25 -1.286 22.396 -3.492 1.00 0.00 N ATOM 1342 CA ALA B 25 -1.002 21.945 -4.856 1.00 0.00 C ATOM 1343 C ALA B 25 -2.162 22.237 -5.831 1.00 0.00 C ATOM 1344 O ALA B 25 -2.472 21.420 -6.699 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.670 20.445 -4.805 1.00 0.00 C ATOM 0 H ALA B 25 -1.575 21.625 -2.890 1.00 0.00 H new ATOM 0 HA ALA B 25 -0.150 22.504 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.454 20.086 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA B 25 0.201 20.287 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.521 19.898 -4.399 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.847 23.380 -5.672 1.00 0.00 N ATOM 1352 CA ARG B 26 -4.061 23.751 -6.419 1.00 0.00 C ATOM 1353 C ARG B 26 -3.901 23.853 -7.950 1.00 0.00 C ATOM 1354 O ARG B 26 -4.899 23.919 -8.667 1.00 0.00 O ATOM 1355 CB ARG B 26 -4.715 24.996 -5.775 1.00 0.00 C ATOM 1356 CG ARG B 26 -3.827 26.235 -5.536 1.00 0.00 C ATOM 1357 CD ARG B 26 -3.084 26.724 -6.787 1.00 0.00 C ATOM 1358 NE ARG B 26 -2.558 28.095 -6.632 1.00 0.00 N ATOM 1359 CZ ARG B 26 -1.372 28.461 -6.174 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -0.524 27.615 -5.658 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -1.010 29.711 -6.232 1.00 0.00 N ATOM 0 H ARG B 26 -2.564 24.093 -5.000 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.747 22.910 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.550 25.300 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -5.134 24.695 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -4.448 27.046 -5.155 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -3.097 26.002 -4.761 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -2.260 26.045 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -3.759 26.692 -7.642 1.00 0.00 H new ATOM 0 HE ARG B 26 -3.184 28.850 -6.911 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -0.765 26.626 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG B 26 0.380 27.943 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -1.641 30.407 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -0.096 29.994 -5.879 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.664 23.850 -8.455 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.328 23.754 -9.877 1.00 0.00 C ATOM 1377 C ASN B 27 -2.774 22.389 -10.457 1.00 0.00 C ATOM 1378 O ASN B 27 -2.491 21.350 -9.857 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.807 23.974 -9.992 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.313 23.948 -11.428 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.371 22.931 -12.103 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.166 25.052 -11.952 1.00 0.00 N ATOM 0 H ASN B 27 -1.838 23.917 -7.861 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.854 24.508 -10.462 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.549 24.932 -9.541 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.289 23.203 -9.421 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.488 25.059 -12.920 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.216 25.903 -11.392 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.432 22.344 -11.632 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.064 21.123 -12.161 1.00 0.00 C ATOM 1391 C PRO B 28 -3.081 20.021 -12.574 1.00 0.00 C ATOM 1392 O PRO B 28 -3.483 18.861 -12.672 1.00 0.00 O ATOM 1393 CB PRO B 28 -4.908 21.583 -13.359 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.166 22.827 -13.831 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.663 23.461 -12.542 1.00 0.00 C ATOM 0 HA PRO B 28 -4.657 20.656 -11.375 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.957 20.821 -14.137 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.934 21.809 -13.069 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.343 22.573 -14.499 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.824 23.502 -14.378 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.747 24.026 -12.712 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.396 24.157 -12.133 1.00 0.00 H new ATOM 1403 N GLU B 29 -1.791 20.341 -12.767 1.00 0.00 N ATOM 1404 CA GLU B 29 -0.749 19.354 -13.137 1.00 0.00 C ATOM 1405 C GLU B 29 -0.482 18.340 -12.014 1.00 0.00 C ATOM 1406 O GLU B 29 0.021 17.237 -12.239 1.00 0.00 O ATOM 1407 CB GLU B 29 0.546 20.115 -13.449 1.00 0.00 C ATOM 1408 CG GLU B 29 1.446 19.430 -14.485 1.00 0.00 C ATOM 1409 CD GLU B 29 0.827 19.447 -15.898 1.00 0.00 C ATOM 1410 OE1 GLU B 29 0.947 20.476 -16.607 1.00 0.00 O ATOM 1411 OE2 GLU B 29 0.225 18.428 -16.317 1.00 0.00 O ATOM 0 H GLU B 29 -1.435 21.292 -12.672 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.100 18.794 -14.004 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.290 21.112 -13.809 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.109 20.245 -12.525 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.415 19.929 -14.509 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.626 18.399 -14.182 1.00 0.00 H new ATOM 1418 N LYS B 30 -0.868 18.742 -10.800 1.00 0.00 N ATOM 1419 CA LYS B 30 -0.824 17.965 -9.561 1.00 0.00 C ATOM 1420 C LYS B 30 -2.209 17.711 -8.973 1.00 0.00 C ATOM 1421 O LYS B 30 -2.503 16.557 -8.655 1.00 0.00 O ATOM 1422 CB LYS B 30 0.123 18.662 -8.566 1.00 0.00 C ATOM 1423 CG LYS B 30 0.492 17.771 -7.369 1.00 0.00 C ATOM 1424 CD LYS B 30 1.514 16.684 -7.743 1.00 0.00 C ATOM 1425 CE LYS B 30 1.338 15.418 -6.899 1.00 0.00 C ATOM 1426 NZ LYS B 30 1.720 15.607 -5.471 1.00 0.00 N ATOM 0 H LYS B 30 -1.243 19.678 -10.648 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.432 16.973 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.034 18.959 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.348 19.575 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.900 18.390 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.410 17.300 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.408 16.434 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.523 17.073 -7.608 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.298 15.096 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.941 14.617 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.579 14.716 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.720 15.886 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.128 16.351 -5.049 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.086 18.721 -8.889 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.462 18.567 -8.377 1.00 0.00 C ATOM 1442 C LYS B 31 -5.258 17.440 -9.036 1.00 0.00 C ATOM 1443 O LYS B 31 -5.925 16.675 -8.347 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.222 19.901 -8.422 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.390 19.871 -7.423 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.137 21.208 -7.413 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.281 21.241 -6.387 1.00 0.00 C ATOM 1448 NZ LYS B 31 -7.803 21.079 -4.985 1.00 0.00 N ATOM 0 H LYS B 31 -2.863 19.674 -9.175 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.355 18.263 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.547 20.722 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.598 20.082 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.078 19.068 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.013 19.653 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.433 22.011 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.540 21.402 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.816 22.186 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.993 20.448 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.558 21.358 -4.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.548 20.085 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.969 21.681 -4.831 1.00 0.00 H new ATOM 1462 N SER B 32 -5.113 17.271 -10.345 1.00 0.00 N ATOM 1463 CA SER B 32 -5.793 16.212 -11.117 1.00 0.00 C ATOM 1464 C SER B 32 -5.025 14.881 -11.174 1.00 0.00 C ATOM 1465 O SER B 32 -5.450 13.952 -11.862 1.00 0.00 O ATOM 1466 CB SER B 32 -6.116 16.709 -12.534 1.00 0.00 C ATOM 1467 OG SER B 32 -6.878 17.909 -12.483 1.00 0.00 O ATOM 0 H SER B 32 -4.515 17.868 -10.917 1.00 0.00 H new ATOM 0 HA SER B 32 -6.716 15.996 -10.579 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.191 16.883 -13.084 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.670 15.943 -13.076 1.00 0.00 H new ATOM 0 HG SER B 32 -7.073 18.212 -13.394 1.00 0.00 H new ATOM 1473 N VAL B 33 -3.924 14.762 -10.424 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.126 13.533 -10.274 1.00 0.00 C ATOM 1475 C VAL B 33 -3.275 12.974 -8.860 1.00 0.00 C ATOM 1476 O VAL B 33 -3.635 11.805 -8.716 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.646 13.775 -10.636 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.784 12.525 -10.419 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.506 14.181 -12.108 1.00 0.00 C ATOM 0 H VAL B 33 -3.549 15.543 -9.885 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.507 12.790 -10.974 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.301 14.572 -9.978 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.249 12.745 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.832 12.228 -9.371 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.156 11.713 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.454 14.347 -12.341 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.898 13.387 -12.743 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.066 15.099 -12.287 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.106 13.790 -7.807 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.355 13.327 -6.441 1.00 0.00 C ATOM 1491 C LEU B 34 -4.860 13.103 -6.158 1.00 0.00 C ATOM 1492 O LEU B 34 -5.201 12.347 -5.247 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.566 14.196 -5.437 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.357 15.314 -4.762 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -2.565 15.949 -3.614 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -3.732 16.451 -5.694 1.00 0.00 C ATOM 0 H LEU B 34 -2.802 14.761 -7.878 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.956 12.322 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.160 13.545 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.718 14.640 -5.958 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.262 14.819 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.159 16.741 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.336 15.190 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.637 16.369 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.292 17.205 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.827 16.899 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.347 16.067 -6.508 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.770 13.671 -6.970 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.211 13.410 -6.862 1.00 0.00 C ATOM 1510 C GLN B 35 -7.582 11.936 -7.117 1.00 0.00 C ATOM 1511 O GLN B 35 -8.477 11.411 -6.455 1.00 0.00 O ATOM 1512 CB GLN B 35 -7.985 14.347 -7.804 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.507 14.114 -7.807 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.257 15.152 -8.643 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -9.851 15.542 -9.731 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.386 15.647 -8.174 1.00 0.00 N ATOM 0 H GLN B 35 -5.525 14.322 -7.716 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.498 13.615 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.786 15.380 -7.517 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.606 14.220 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.718 13.118 -8.196 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.877 14.141 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.743 15.336 -7.270 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.903 16.340 -8.715 1.00 0.00 H new ATOM 1525 N LYS B 36 -6.897 11.235 -8.034 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.183 9.812 -8.305 1.00 0.00 C ATOM 1527 C LYS B 36 -6.869 8.923 -7.104 1.00 0.00 C ATOM 1528 O LYS B 36 -7.667 8.049 -6.764 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.394 9.327 -9.535 1.00 0.00 C ATOM 1530 CG LYS B 36 -6.846 9.917 -10.881 1.00 0.00 C ATOM 1531 CD LYS B 36 -8.253 9.443 -11.285 1.00 0.00 C ATOM 1532 CE LYS B 36 -8.625 9.847 -12.719 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.872 9.071 -13.744 1.00 0.00 N ATOM 0 H LYS B 36 -6.144 11.626 -8.600 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.252 9.734 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.341 9.566 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -6.470 8.241 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -6.836 11.005 -10.820 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -6.134 9.635 -11.656 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -8.307 8.358 -11.192 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -8.985 9.859 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -9.694 9.699 -12.869 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -8.428 10.910 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -8.207 9.333 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -6.857 9.284 -13.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.025 8.054 -13.591 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.755 9.192 -6.420 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.431 8.565 -5.134 1.00 0.00 C ATOM 1549 C ILE B 37 -6.490 8.954 -4.093 1.00 0.00 C ATOM 1550 O ILE B 37 -7.036 8.059 -3.462 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.003 8.954 -4.679 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.916 8.530 -5.686 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.735 8.385 -3.274 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.474 8.899 -5.321 1.00 0.00 C ATOM 0 H ILE B 37 -5.049 9.853 -6.743 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.444 7.481 -5.245 1.00 0.00 H new ATOM 0 HB ILE B 37 -3.951 10.042 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.971 7.449 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.150 8.978 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.729 8.660 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.462 8.793 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.824 7.299 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.800 8.550 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.389 9.981 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.206 8.429 -4.375 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.863 10.235 -3.950 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.942 10.650 -3.033 1.00 0.00 C ATOM 1568 C LEU B 38 -9.240 9.844 -3.230 1.00 0.00 C ATOM 1569 O LEU B 38 -9.824 9.393 -2.243 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.224 12.162 -3.164 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.305 13.079 -2.339 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.466 14.536 -2.776 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -7.659 13.005 -0.850 1.00 0.00 C ATOM 0 H LEU B 38 -6.432 11.007 -4.459 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.587 10.438 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.139 12.440 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.256 12.349 -2.868 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.282 12.741 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.808 15.169 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.205 14.631 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.500 14.848 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.997 13.661 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.692 13.321 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.540 11.980 -0.498 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.681 9.610 -4.473 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.903 8.834 -4.725 1.00 0.00 C ATOM 1587 C GLU B 39 -10.749 7.336 -4.435 1.00 0.00 C ATOM 1588 O GLU B 39 -11.655 6.709 -3.881 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.371 9.037 -6.175 1.00 0.00 C ATOM 1590 CG GLU B 39 -11.905 10.449 -6.447 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.420 10.568 -7.895 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -11.612 10.839 -8.816 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.643 10.395 -8.123 1.00 0.00 O ATOM 0 H GLU B 39 -9.213 9.945 -5.315 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.652 9.212 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.539 8.834 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -12.151 8.311 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.710 10.679 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.116 11.181 -6.275 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.594 6.762 -4.755 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.237 5.390 -4.438 1.00 0.00 C ATOM 1602 C ASP B 40 -9.099 5.150 -2.925 1.00 0.00 C ATOM 1603 O ASP B 40 -9.508 4.103 -2.427 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.902 5.134 -5.140 1.00 0.00 C ATOM 1605 CG ASP B 40 -8.002 4.676 -6.605 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.113 4.542 -7.173 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.916 4.433 -7.181 1.00 0.00 O ATOM 0 H ASP B 40 -8.859 7.258 -5.259 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.021 4.711 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.311 6.049 -5.103 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.355 4.378 -4.578 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.561 6.114 -2.170 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.393 5.961 -0.718 1.00 0.00 C ATOM 1614 C GLU B 41 -9.741 6.107 0.003 1.00 0.00 C ATOM 1615 O GLU B 41 -10.024 5.359 0.937 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.367 6.947 -0.126 1.00 0.00 C ATOM 1617 CG GLU B 41 -5.896 6.869 -0.585 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.213 5.511 -0.447 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.745 4.565 0.186 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.097 5.336 -1.002 1.00 0.00 O ATOM 0 H GLU B 41 -8.235 7.007 -2.538 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.002 4.956 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.723 7.956 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.380 6.823 0.957 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.848 7.171 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.321 7.600 -0.016 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.625 6.987 -0.476 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.015 7.053 -0.007 1.00 0.00 C ATOM 1629 C GLU B 42 -12.749 5.711 -0.206 1.00 0.00 C ATOM 1630 O GLU B 42 -13.497 5.276 0.675 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.737 8.216 -0.708 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.142 8.462 -0.145 1.00 0.00 C ATOM 1633 CD GLU B 42 -14.787 9.702 -0.793 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.445 9.567 -1.853 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.654 10.821 -0.239 1.00 0.00 O ATOM 0 H GLU B 42 -10.400 7.672 -1.197 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.016 7.241 1.067 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.143 9.124 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.809 8.004 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.767 7.587 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.086 8.599 0.935 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.480 5.009 -1.317 1.00 0.00 N ATOM 1643 CA LYS B 43 -12.987 3.650 -1.574 1.00 0.00 C ATOM 1644 C LYS B 43 -12.477 2.631 -0.544 1.00 0.00 C ATOM 1645 O LYS B 43 -13.257 1.809 -0.072 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.641 3.207 -3.010 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.789 2.470 -3.714 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.882 3.433 -4.206 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.951 2.663 -4.992 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.977 3.579 -5.561 1.00 0.00 N ATOM 0 H LYS B 43 -11.898 5.372 -2.072 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.072 3.684 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.368 4.084 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.766 2.558 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.393 1.909 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.228 1.745 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.339 3.940 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.440 4.204 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -15.478 2.101 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.433 1.937 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -17.684 3.025 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.445 4.097 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -16.520 4.255 -6.205 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.206 2.695 -0.132 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.642 1.834 0.887 1.00 0.00 C ATOM 1666 C HIS B 44 -11.276 2.078 2.254 1.00 0.00 C ATOM 1667 O HIS B 44 -11.685 1.124 2.905 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.140 2.109 0.931 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.361 1.808 -0.323 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.998 2.103 -0.526 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.868 1.209 -1.438 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.759 1.704 -1.799 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.862 1.185 -2.360 1.00 0.00 N ATOM 0 H HIS B 44 -10.536 3.364 -0.512 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.841 0.791 0.641 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -8.993 3.160 1.179 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.711 1.527 1.746 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.870 0.828 -1.567 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.805 1.792 -2.297 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -7.936 0.832 -3.314 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.415 3.341 2.663 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.130 3.750 3.877 1.00 0.00 C ATOM 1683 C ILE B 45 -13.595 3.259 3.882 1.00 0.00 C ATOM 1684 O ILE B 45 -14.065 2.787 4.916 1.00 0.00 O ATOM 1685 CB ILE B 45 -11.963 5.283 4.060 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.682 5.641 4.855 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.150 5.934 4.786 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.344 5.312 4.186 1.00 0.00 C ATOM 0 H ILE B 45 -11.024 4.129 2.147 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.693 3.267 4.751 1.00 0.00 H new ATOM 0 HB ILE B 45 -11.900 5.672 3.044 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.702 6.710 5.069 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.720 5.123 5.813 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -12.974 7.005 4.883 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.063 5.767 4.214 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.257 5.492 5.777 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.526 5.610 4.842 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.285 4.240 3.997 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.267 5.851 3.242 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.308 3.276 2.749 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.647 2.673 2.633 1.00 0.00 C ATOM 1702 C GLU B 46 -15.656 1.167 2.948 1.00 0.00 C ATOM 1703 O GLU B 46 -16.526 0.683 3.677 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.218 2.912 1.222 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.002 4.219 1.079 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.387 4.133 1.750 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.327 3.566 1.141 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.549 4.640 2.886 1.00 0.00 O ATOM 0 H GLU B 46 -13.976 3.707 1.886 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.275 3.161 3.378 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.397 2.913 0.505 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.870 2.079 0.960 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.433 5.035 1.524 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.124 4.455 0.022 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.681 0.416 2.433 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.569 -1.026 2.644 1.00 0.00 C ATOM 1717 C TRP B 47 -14.110 -1.356 4.068 1.00 0.00 C ATOM 1718 O TRP B 47 -14.648 -2.260 4.700 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.583 -1.595 1.617 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.856 -1.319 0.166 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.016 -0.872 -0.368 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.924 -1.425 -0.952 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.856 -0.670 -1.727 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.584 -1.004 -2.144 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.579 -1.826 -1.073 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.936 -0.975 -3.390 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.918 -1.808 -2.315 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.591 -1.376 -3.472 1.00 0.00 C ATOM 0 H TRP B 47 -13.937 0.799 1.850 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.551 -1.480 2.513 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.592 -1.208 1.852 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.543 -2.676 1.752 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.928 -0.699 0.183 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.588 -0.318 -2.344 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.044 -2.154 -0.194 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.464 -0.649 -4.274 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.888 -2.128 -2.380 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -11.076 -1.352 -4.421 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.170 -0.578 4.602 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.729 -0.608 5.995 1.00 0.00 C ATOM 1741 C LEU B 48 -13.894 -0.402 6.973 1.00 0.00 C ATOM 1742 O LEU B 48 -13.974 -1.097 7.984 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.648 0.474 6.163 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.265 0.041 5.659 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.348 1.259 5.545 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.606 -0.963 6.610 1.00 0.00 C ATOM 0 H LEU B 48 -12.673 0.122 4.051 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.319 -1.590 6.232 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.957 1.371 5.627 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.574 0.742 7.217 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.408 -0.430 4.686 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.368 0.944 5.187 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.778 1.974 4.844 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.243 1.728 6.523 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.628 -1.246 6.220 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.486 -0.508 7.593 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.234 -1.850 6.695 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.838 0.481 6.645 1.00 0.00 N ATOM 1759 CA GLU B 49 -16.079 0.653 7.414 1.00 0.00 C ATOM 1760 C GLU B 49 -17.006 -0.564 7.294 1.00 0.00 C ATOM 1761 O GLU B 49 -17.534 -1.048 8.295 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.826 1.913 6.948 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.736 2.455 8.057 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.535 3.686 7.587 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -18.030 4.830 7.703 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -19.693 3.522 7.130 1.00 0.00 O ATOM 0 H GLU B 49 -14.767 1.100 5.838 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.794 0.758 8.461 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.107 2.679 6.656 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.422 1.681 6.065 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.426 1.674 8.376 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.133 2.722 8.925 1.00 0.00 H new ATOM 1773 N THR B 50 -17.174 -1.096 6.081 1.00 0.00 N ATOM 1774 CA THR B 50 -17.965 -2.319 5.831 1.00 0.00 C ATOM 1775 C THR B 50 -17.409 -3.567 6.544 1.00 0.00 C ATOM 1776 O THR B 50 -18.169 -4.467 6.910 1.00 0.00 O ATOM 1777 CB THR B 50 -18.192 -2.525 4.314 1.00 0.00 C ATOM 1778 OG1 THR B 50 -19.580 -2.522 4.040 1.00 0.00 O ATOM 1779 CG2 THR B 50 -17.634 -3.807 3.689 1.00 0.00 C ATOM 0 H THR B 50 -16.767 -0.694 5.237 1.00 0.00 H new ATOM 0 HA THR B 50 -18.944 -2.168 6.286 1.00 0.00 H new ATOM 0 HB THR B 50 -17.638 -1.698 3.868 1.00 0.00 H new ATOM 0 HG1 THR B 50 -19.724 -2.651 3.079 1.00 0.00 H new ATOM 0 HG21 THR B 50 -17.864 -3.822 2.624 1.00 0.00 H new ATOM 0 HG22 THR B 50 -16.553 -3.839 3.828 1.00 0.00 H new ATOM 0 HG23 THR B 50 -18.087 -4.674 4.170 1.00 0.00 H new ATOM 1787 N ILE B 51 -16.097 -3.599 6.801 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.383 -4.662 7.535 1.00 0.00 C ATOM 1789 C ILE B 51 -15.322 -4.418 9.057 1.00 0.00 C ATOM 1790 O ILE B 51 -15.080 -5.346 9.834 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.986 -4.874 6.886 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.082 -5.460 5.453 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -13.022 -5.743 7.713 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.665 -6.876 5.331 1.00 0.00 C ATOM 0 H ILE B 51 -15.472 -2.855 6.492 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.950 -5.588 7.445 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.569 -3.868 6.847 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.690 -4.787 4.849 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -13.083 -5.463 5.018 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -12.073 -5.837 7.185 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.852 -5.276 8.683 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.457 -6.732 7.858 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.680 -7.174 4.283 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -14.048 -7.574 5.898 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -15.681 -6.887 5.726 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.594 -3.195 9.501 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.602 -2.821 10.922 1.00 0.00 C ATOM 1808 C ASN B 52 -16.749 -3.501 11.708 1.00 0.00 C ATOM 1809 O ASN B 52 -17.835 -3.744 11.169 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.650 -1.286 11.046 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.482 -0.800 12.477 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.648 -1.280 13.231 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -16.276 0.154 12.908 1.00 0.00 N ATOM 0 H ASN B 52 -15.819 -2.419 8.878 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.681 -3.184 11.377 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.865 -0.852 10.426 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.601 -0.925 10.655 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -16.195 0.491 13.867 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.974 0.558 12.283 1.00 0.00 H new