USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 LYS NZ :NH3+ 167:sc= 1.82 (180deg=0.674) USER MOD Set 1.2: A 54 SER OG : rot -78:sc= 1.61 USER MOD Set 1.3: A 69 TYR OH : rot -124:sc= 0.987 USER MOD Set 2.1: A 39 SER OG : rot 71:sc= 1.22 USER MOD Set 2.2: A 63 SER OG : rot -75:sc= 2.22 USER MOD Set 2.3: A 65 THR OG1 : rot 131:sc= 2.3 USER MOD Set 3.1: A 24 THR OG1 : rot 160:sc= 0.00761 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -164:sc= 2.25 (180deg=-0.137) USER MOD Set 3.3: A 33 SER OG : rot 94:sc= 2.07 USER MOD Set 3.4: A 36 GLN : amide:sc= 1.1 K(o=5.4,f=-7.2!) USER MOD Set 4.1: A 30 THR OG1 : rot 103:sc= 1.22 USER MOD Set 4.2: A 91 SER OG : rot -24:sc= 1.46 USER MOD Set 5.1: A 28 LYS NZ :NH3+ 143:sc= 1.04 (180deg=0) USER MOD Set 5.2: A 29 SER OG : rot 160:sc= 2.09 USER MOD Set 6.1: A 19 LYS NZ :NH3+ -160:sc= 3.15 (180deg=1.41) USER MOD Set 6.2: A 20 SER OG : rot 29:sc= 2.06 USER MOD Set 7.1: A 11 ASN : amide:sc= -0.242 K(o=-0.24,f=-4.6!) USER MOD Set 7.2: A 79 THR OG1 : rot 180:sc= 0.00291 USER MOD Single : A 9 SER OG : rot 23:sc= 0.265 USER MOD Single : A 12 GLN : amide:sc=-0.00456 X(o=-0.0046,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= 2.19 (180deg=-0.424) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0.574 (180deg=0.425) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -138:sc= 1.13 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 2.25 (180deg=1.74) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 2.4 (180deg=1.99) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 48 THR OG1 : rot 87:sc= 1.05 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -177:sc= 2.13 USER MOD Single : A 61 MET CE :methyl 172:sc= -0.0572 (180deg=-0.19) USER MOD Single : A 64 LYS NZ :NH3+ 151:sc= 1.4 (180deg=1.03) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -118:sc= 0.994 USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 9 8.731 8.216 -25.011 1.00 0.00 N ATOM 109 CA SER A 9 7.901 7.523 -25.988 1.00 0.00 C ATOM 110 C SER A 9 6.865 6.614 -25.328 1.00 0.00 C ATOM 111 O SER A 9 5.727 6.588 -25.789 1.00 0.00 O ATOM 112 CB SER A 9 8.772 6.751 -26.987 1.00 0.00 C ATOM 113 OG SER A 9 9.912 7.498 -27.402 1.00 0.00 O ATOM 0 HA SER A 9 7.342 8.281 -26.537 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.099 5.816 -26.533 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.174 6.490 -27.860 1.00 0.00 H new ATOM 0 HG SER A 9 10.119 8.180 -26.729 1.00 0.00 H new ATOM 119 N ILE A 10 7.213 5.915 -24.231 1.00 0.00 N ATOM 120 CA ILE A 10 6.223 5.159 -23.447 1.00 0.00 C ATOM 121 C ILE A 10 5.190 6.111 -22.815 1.00 0.00 C ATOM 122 O ILE A 10 4.000 5.900 -23.016 1.00 0.00 O ATOM 123 CB ILE A 10 6.903 4.165 -22.466 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.979 3.033 -21.938 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.662 4.847 -21.321 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.826 3.419 -21.002 1.00 0.00 C ATOM 0 H ILE A 10 8.166 5.859 -23.871 1.00 0.00 H new ATOM 0 HA ILE A 10 5.648 4.516 -24.113 1.00 0.00 H new ATOM 0 HB ILE A 10 7.646 3.673 -23.094 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.551 2.522 -22.801 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.604 2.309 -21.416 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.109 4.089 -20.678 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.446 5.483 -21.732 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.971 5.455 -20.737 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.272 2.524 -20.719 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.227 3.895 -20.108 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.158 4.112 -21.514 1.00 0.00 H new ATOM 138 N ASN A 11 5.603 7.188 -22.133 1.00 0.00 N ATOM 139 CA ASN A 11 4.714 8.181 -21.505 1.00 0.00 C ATOM 140 C ASN A 11 3.758 8.822 -22.538 1.00 0.00 C ATOM 141 O ASN A 11 2.536 8.759 -22.400 1.00 0.00 O ATOM 142 CB ASN A 11 5.632 9.201 -20.803 1.00 0.00 C ATOM 143 CG ASN A 11 5.000 10.133 -19.789 1.00 0.00 C ATOM 144 OD1 ASN A 11 3.824 10.092 -19.469 1.00 0.00 O ATOM 145 ND2 ASN A 11 5.820 10.973 -19.192 1.00 0.00 N ATOM 0 H ASN A 11 6.591 7.400 -21.998 1.00 0.00 H new ATOM 0 HA ASN A 11 4.049 7.721 -20.774 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.427 8.648 -20.302 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.105 9.812 -21.572 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.472 11.592 -18.460 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.803 11.005 -19.462 1.00 0.00 H new ATOM 152 N GLN A 12 4.319 9.370 -23.618 1.00 0.00 N ATOM 153 CA GLN A 12 3.619 9.938 -24.769 1.00 0.00 C ATOM 154 C GLN A 12 2.639 8.939 -25.399 1.00 0.00 C ATOM 155 O GLN A 12 1.453 9.256 -25.541 1.00 0.00 O ATOM 156 CB GLN A 12 4.693 10.446 -25.745 1.00 0.00 C ATOM 157 CG GLN A 12 4.188 10.906 -27.122 1.00 0.00 C ATOM 158 CD GLN A 12 4.485 9.873 -28.207 1.00 0.00 C ATOM 159 OE1 GLN A 12 3.599 9.223 -28.741 1.00 0.00 O ATOM 160 NE2 GLN A 12 5.745 9.688 -28.553 1.00 0.00 N ATOM 0 H GLN A 12 5.332 9.432 -23.717 1.00 0.00 H new ATOM 0 HA GLN A 12 2.986 10.772 -24.466 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.218 11.278 -25.276 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.424 9.652 -25.895 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.114 11.085 -27.074 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.658 11.854 -27.384 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.482 10.232 -28.105 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.982 9.001 -29.268 1.00 0.00 H new ATOM 169 N LYS A 13 3.087 7.720 -25.737 1.00 0.00 N ATOM 170 CA LYS A 13 2.191 6.693 -26.275 1.00 0.00 C ATOM 171 C LYS A 13 1.136 6.256 -25.255 1.00 0.00 C ATOM 172 O LYS A 13 0.008 5.989 -25.640 1.00 0.00 O ATOM 173 CB LYS A 13 3.004 5.518 -26.832 1.00 0.00 C ATOM 174 CG LYS A 13 2.131 4.539 -27.633 1.00 0.00 C ATOM 175 CD LYS A 13 3.018 3.604 -28.465 1.00 0.00 C ATOM 176 CE LYS A 13 2.246 2.448 -29.108 1.00 0.00 C ATOM 177 NZ LYS A 13 1.099 2.890 -29.929 1.00 0.00 N ATOM 0 H LYS A 13 4.059 7.426 -25.647 1.00 0.00 H new ATOM 0 HA LYS A 13 1.631 7.127 -27.104 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.800 5.899 -27.471 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.483 4.987 -26.009 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.509 3.955 -26.955 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.457 5.092 -28.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.510 4.182 -29.247 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.803 3.197 -27.828 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.927 1.869 -29.731 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.886 1.781 -28.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.211 2.613 -29.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.126 3.924 -30.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.151 2.444 -30.867 1.00 0.00 H new ATOM 191 N LEU A 14 1.423 6.255 -23.951 1.00 0.00 N ATOM 192 CA LEU A 14 0.405 5.976 -22.942 1.00 0.00 C ATOM 193 C LEU A 14 -0.674 7.068 -22.872 1.00 0.00 C ATOM 194 O LEU A 14 -1.841 6.745 -22.672 1.00 0.00 O ATOM 195 CB LEU A 14 1.065 5.682 -21.593 1.00 0.00 C ATOM 196 CG LEU A 14 0.130 4.872 -20.677 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.958 3.865 -19.897 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.618 5.741 -19.670 1.00 0.00 C ATOM 0 H LEU A 14 2.351 6.444 -23.572 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.135 5.078 -23.241 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.991 5.129 -21.752 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.333 6.619 -21.105 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.607 4.391 -21.320 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.305 3.285 -19.244 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.465 3.195 -20.591 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.699 4.391 -19.295 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.261 5.112 -19.054 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.099 6.261 -19.034 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.228 6.472 -20.202 1.00 0.00 H new ATOM 210 N ALA A 15 -0.346 8.336 -23.137 1.00 0.00 N ATOM 211 CA ALA A 15 -1.388 9.334 -23.412 1.00 0.00 C ATOM 212 C ALA A 15 -2.199 9.009 -24.686 1.00 0.00 C ATOM 213 O ALA A 15 -3.424 9.159 -24.684 1.00 0.00 O ATOM 214 CB ALA A 15 -0.805 10.745 -23.481 1.00 0.00 C ATOM 0 H ALA A 15 0.609 8.692 -23.167 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.083 9.293 -22.573 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.603 11.459 -23.686 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.334 10.991 -22.529 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.062 10.793 -24.277 1.00 0.00 H new ATOM 220 N LEU A 16 -1.547 8.508 -25.750 1.00 0.00 N ATOM 221 CA LEU A 16 -2.224 7.982 -26.946 1.00 0.00 C ATOM 222 C LEU A 16 -3.153 6.793 -26.612 1.00 0.00 C ATOM 223 O LEU A 16 -4.194 6.661 -27.253 1.00 0.00 O ATOM 224 CB LEU A 16 -1.192 7.682 -28.063 1.00 0.00 C ATOM 225 CG LEU A 16 -1.770 7.552 -29.492 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.713 7.940 -30.531 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.201 6.128 -29.854 1.00 0.00 C ATOM 0 H LEU A 16 -0.530 8.457 -25.803 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.890 8.751 -27.337 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.444 8.475 -28.064 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.674 6.756 -27.815 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.639 8.210 -29.502 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.134 7.844 -31.532 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.402 8.972 -30.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.150 7.281 -30.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.596 6.115 -30.870 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.342 5.460 -29.790 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.973 5.794 -29.160 1.00 0.00 H new ATOM 239 N VAL A 17 -2.871 6.010 -25.561 1.00 0.00 N ATOM 240 CA VAL A 17 -3.850 5.095 -24.947 1.00 0.00 C ATOM 241 C VAL A 17 -4.965 5.912 -24.302 1.00 0.00 C ATOM 242 O VAL A 17 -6.115 5.829 -24.722 1.00 0.00 O ATOM 243 CB VAL A 17 -3.253 4.132 -23.891 1.00 0.00 C ATOM 244 CG1 VAL A 17 -4.297 3.088 -23.477 1.00 0.00 C ATOM 245 CG2 VAL A 17 -1.998 3.388 -24.328 1.00 0.00 C ATOM 0 H VAL A 17 -1.956 5.992 -25.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.224 4.467 -25.755 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.966 4.781 -23.063 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.866 2.417 -22.734 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.165 3.591 -23.051 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.603 2.513 -24.351 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.659 2.740 -23.519 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.221 2.784 -25.208 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.215 4.106 -24.570 1.00 0.00 H new ATOM 255 N ILE A 18 -4.633 6.690 -23.268 1.00 0.00 N ATOM 256 CA ILE A 18 -5.574 7.367 -22.368 1.00 0.00 C ATOM 257 C ILE A 18 -6.561 8.312 -23.087 1.00 0.00 C ATOM 258 O ILE A 18 -7.651 8.538 -22.564 1.00 0.00 O ATOM 259 CB ILE A 18 -4.771 7.992 -21.198 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.277 6.835 -20.291 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.614 8.988 -20.397 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.630 7.244 -18.963 1.00 0.00 C ATOM 0 H ILE A 18 -3.660 6.874 -23.024 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.260 6.636 -21.940 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.926 8.554 -21.596 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.124 6.185 -20.073 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.557 6.242 -20.854 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.015 9.403 -19.587 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.946 9.793 -21.052 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.483 8.478 -19.981 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.325 6.351 -18.417 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.756 7.865 -19.160 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.348 7.807 -18.367 1.00 0.00 H new ATOM 274 N LYS A 19 -6.270 8.764 -24.319 1.00 0.00 N ATOM 275 CA LYS A 19 -7.248 9.438 -25.197 1.00 0.00 C ATOM 276 C LYS A 19 -8.549 8.634 -25.416 1.00 0.00 C ATOM 277 O LYS A 19 -9.595 9.238 -25.637 1.00 0.00 O ATOM 278 CB LYS A 19 -6.582 9.824 -26.542 1.00 0.00 C ATOM 279 CG LYS A 19 -6.701 8.731 -27.616 1.00 0.00 C ATOM 280 CD LYS A 19 -5.796 8.923 -28.843 1.00 0.00 C ATOM 281 CE LYS A 19 -5.974 7.818 -29.905 1.00 0.00 C ATOM 282 NZ LYS A 19 -5.980 6.457 -29.314 1.00 0.00 N ATOM 0 H LYS A 19 -5.345 8.672 -24.738 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.559 10.345 -24.679 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.038 10.741 -26.915 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.528 10.040 -26.369 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.470 7.768 -27.160 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.737 8.684 -27.952 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.009 9.891 -29.296 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.755 8.944 -28.520 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.909 7.982 -30.442 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.169 7.889 -30.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.762 5.757 -30.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.264 6.402 -28.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.919 6.257 -28.913 1.00 0.00 H new ATOM 296 N SER A 20 -8.477 7.293 -25.409 1.00 0.00 N ATOM 297 CA SER A 20 -9.594 6.403 -25.787 1.00 0.00 C ATOM 298 C SER A 20 -9.568 4.975 -25.204 1.00 0.00 C ATOM 299 O SER A 20 -10.529 4.237 -25.402 1.00 0.00 O ATOM 300 CB SER A 20 -9.722 6.347 -27.322 1.00 0.00 C ATOM 301 OG SER A 20 -8.490 6.105 -27.985 1.00 0.00 O ATOM 0 H SER A 20 -7.633 6.788 -25.138 1.00 0.00 H new ATOM 0 HA SER A 20 -10.470 6.860 -25.327 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.430 5.563 -27.591 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.138 7.289 -27.678 1.00 0.00 H new ATOM 0 HG SER A 20 -7.903 5.578 -27.403 1.00 0.00 H new ATOM 307 N GLY A 21 -8.512 4.565 -24.493 1.00 0.00 N ATOM 308 CA GLY A 21 -8.356 3.242 -23.886 1.00 0.00 C ATOM 309 C GLY A 21 -8.617 3.241 -22.380 1.00 0.00 C ATOM 310 O GLY A 21 -8.483 4.264 -21.704 1.00 0.00 O ATOM 0 H GLY A 21 -7.711 5.172 -24.319 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.041 2.544 -24.368 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.346 2.879 -24.074 1.00 0.00 H new ATOM 314 N LYS A 22 -8.967 2.068 -21.841 1.00 0.00 N ATOM 315 CA LYS A 22 -9.322 1.900 -20.427 1.00 0.00 C ATOM 316 C LYS A 22 -8.076 1.678 -19.573 1.00 0.00 C ATOM 317 O LYS A 22 -7.427 0.635 -19.684 1.00 0.00 O ATOM 318 CB LYS A 22 -10.332 0.752 -20.252 1.00 0.00 C ATOM 319 CG LYS A 22 -11.768 1.225 -20.536 1.00 0.00 C ATOM 320 CD LYS A 22 -12.790 0.086 -20.395 1.00 0.00 C ATOM 321 CE LYS A 22 -12.836 -0.750 -21.677 1.00 0.00 C ATOM 322 NZ LYS A 22 -13.499 -2.056 -21.473 1.00 0.00 N ATOM 0 H LYS A 22 -9.012 1.202 -22.378 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.797 2.819 -20.083 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.076 -0.066 -20.925 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.269 0.361 -19.236 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.026 2.031 -19.849 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.821 1.636 -21.544 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.524 -0.548 -19.549 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.777 0.498 -20.186 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.364 -0.194 -22.452 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.821 -0.913 -22.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.582 -2.550 -22.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.935 -2.633 -20.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.447 -1.905 -21.074 1.00 0.00 H new ATOM 336 N TYR A 23 -7.768 2.651 -18.713 1.00 0.00 N ATOM 337 CA TYR A 23 -6.681 2.610 -17.735 1.00 0.00 C ATOM 338 C TYR A 23 -7.189 2.582 -16.275 1.00 0.00 C ATOM 339 O TYR A 23 -8.366 2.816 -16.007 1.00 0.00 O ATOM 340 CB TYR A 23 -5.780 3.825 -17.994 1.00 0.00 C ATOM 341 CG TYR A 23 -6.448 5.154 -17.691 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.302 5.757 -18.638 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.242 5.761 -16.442 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.957 6.962 -18.334 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.888 6.975 -16.134 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.743 7.577 -17.081 1.00 0.00 C ATOM 347 OH TYR A 23 -8.366 8.753 -16.791 1.00 0.00 O ATOM 0 H TYR A 23 -8.292 3.526 -18.678 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.121 1.683 -17.859 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.879 3.734 -17.387 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.464 3.816 -19.037 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.453 5.291 -19.600 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.589 5.298 -15.717 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.621 7.416 -19.055 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.729 7.444 -15.174 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.114 9.043 -15.889 1.00 0.00 H new ATOM 357 N THR A 24 -6.283 2.321 -15.323 1.00 0.00 N ATOM 358 CA THR A 24 -6.503 2.397 -13.866 1.00 0.00 C ATOM 359 C THR A 24 -5.259 2.960 -13.150 1.00 0.00 C ATOM 360 O THR A 24 -4.153 2.834 -13.678 1.00 0.00 O ATOM 361 CB THR A 24 -6.926 1.017 -13.327 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.243 1.109 -11.963 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.880 -0.091 -13.476 1.00 0.00 C ATOM 0 H THR A 24 -5.331 2.038 -15.555 1.00 0.00 H new ATOM 0 HA THR A 24 -7.317 3.092 -13.659 1.00 0.00 H new ATOM 0 HB THR A 24 -7.783 0.739 -13.941 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.801 0.346 -11.705 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.274 -1.021 -13.067 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.645 -0.230 -14.531 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.975 0.188 -12.936 1.00 0.00 H new ATOM 371 N LEU A 25 -5.436 3.594 -11.975 1.00 0.00 N ATOM 372 CA LEU A 25 -4.425 4.419 -11.281 1.00 0.00 C ATOM 373 C LEU A 25 -4.322 4.134 -9.773 1.00 0.00 C ATOM 374 O LEU A 25 -5.314 4.235 -9.042 1.00 0.00 O ATOM 375 CB LEU A 25 -4.735 5.923 -11.449 1.00 0.00 C ATOM 376 CG LEU A 25 -4.784 6.470 -12.884 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.039 7.980 -12.867 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.468 6.274 -13.622 1.00 0.00 C ATOM 0 H LEU A 25 -6.317 3.545 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.477 4.152 -11.747 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.696 6.125 -10.977 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.983 6.487 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.582 5.923 -13.386 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.071 8.355 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.991 8.183 -12.376 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.237 8.478 -12.323 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.553 6.677 -14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.671 6.794 -13.090 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.235 5.210 -13.674 1.00 0.00 H new ATOM 390 N GLY A 26 -3.102 3.858 -9.299 1.00 0.00 N ATOM 391 CA GLY A 26 -2.764 3.682 -7.885 1.00 0.00 C ATOM 392 C GLY A 26 -3.026 2.258 -7.381 1.00 0.00 C ATOM 393 O GLY A 26 -3.944 1.590 -7.858 1.00 0.00 O ATOM 0 H GLY A 26 -2.295 3.747 -9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.713 3.927 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.344 4.386 -7.288 1.00 0.00 H new ATOM 397 N TYR A 27 -2.227 1.818 -6.394 1.00 0.00 N ATOM 398 CA TYR A 27 -2.063 0.418 -5.967 1.00 0.00 C ATOM 399 C TYR A 27 -3.400 -0.328 -5.830 1.00 0.00 C ATOM 400 O TYR A 27 -3.623 -1.313 -6.524 1.00 0.00 O ATOM 401 CB TYR A 27 -1.213 0.356 -4.686 1.00 0.00 C ATOM 402 CG TYR A 27 -0.618 -1.014 -4.400 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.649 -1.350 -4.922 1.00 0.00 C ATOM 404 CD2 TYR A 27 -1.328 -1.955 -3.623 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.186 -2.625 -4.679 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.789 -3.238 -3.386 1.00 0.00 C ATOM 407 CZ TYR A 27 0.464 -3.582 -3.939 1.00 0.00 C ATOM 408 OH TYR A 27 1.003 -4.820 -3.783 1.00 0.00 O ATOM 0 H TYR A 27 -1.651 2.458 -5.847 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.528 -0.112 -6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.404 1.082 -4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.830 0.656 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.203 -0.630 -5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.289 -1.692 -3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.164 -2.875 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.332 -3.953 -2.785 1.00 0.00 H new ATOM 0 HH TYR A 27 0.304 -5.498 -3.893 1.00 0.00 H new ATOM 418 N LYS A 28 -4.327 0.198 -5.019 1.00 0.00 N ATOM 419 CA LYS A 28 -5.726 -0.245 -4.885 1.00 0.00 C ATOM 420 C LYS A 28 -6.370 -0.618 -6.229 1.00 0.00 C ATOM 421 O LYS A 28 -6.853 -1.733 -6.415 1.00 0.00 O ATOM 422 CB LYS A 28 -6.493 0.901 -4.188 1.00 0.00 C ATOM 423 CG LYS A 28 -8.030 0.770 -4.207 1.00 0.00 C ATOM 424 CD LYS A 28 -8.737 2.009 -3.633 1.00 0.00 C ATOM 425 CE LYS A 28 -8.457 3.336 -4.367 1.00 0.00 C ATOM 426 NZ LYS A 28 -8.853 3.323 -5.800 1.00 0.00 N ATOM 0 H LYS A 28 -4.113 0.985 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.765 -1.161 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.162 0.960 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.219 1.842 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.364 0.608 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.323 -0.109 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.812 1.829 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.442 2.122 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.989 4.141 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.393 3.563 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.236 4.254 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.022 3.112 -6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.579 2.594 -5.953 1.00 0.00 H new ATOM 440 N SER A 29 -6.419 0.358 -7.133 1.00 0.00 N ATOM 441 CA SER A 29 -7.198 0.397 -8.371 1.00 0.00 C ATOM 442 C SER A 29 -6.665 -0.582 -9.419 1.00 0.00 C ATOM 443 O SER A 29 -7.437 -1.284 -10.093 1.00 0.00 O ATOM 444 CB SER A 29 -7.075 1.808 -8.949 1.00 0.00 C ATOM 445 OG SER A 29 -7.117 2.823 -7.958 1.00 0.00 O ATOM 0 H SER A 29 -5.872 1.210 -7.010 1.00 0.00 H new ATOM 0 HA SER A 29 -8.227 0.123 -8.139 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.139 1.887 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.882 1.973 -9.663 1.00 0.00 H new ATOM 0 HG SER A 29 -6.724 3.646 -8.316 1.00 0.00 H new ATOM 451 N THR A 30 -5.333 -0.605 -9.559 1.00 0.00 N ATOM 452 CA THR A 30 -4.633 -1.651 -10.293 1.00 0.00 C ATOM 453 C THR A 30 -4.915 -2.990 -9.621 1.00 0.00 C ATOM 454 O THR A 30 -5.645 -3.757 -10.231 1.00 0.00 O ATOM 455 CB THR A 30 -3.165 -1.307 -10.579 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.587 -2.333 -11.335 1.00 0.00 O ATOM 457 CG2 THR A 30 -2.299 -1.077 -9.354 1.00 0.00 C ATOM 0 H THR A 30 -4.716 0.105 -9.164 1.00 0.00 H new ATOM 0 HA THR A 30 -5.023 -1.736 -11.307 1.00 0.00 H new ATOM 0 HB THR A 30 -3.197 -0.357 -11.113 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.524 -2.053 -12.272 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.282 -0.841 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.702 -0.247 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.290 -1.978 -8.740 1.00 0.00 H new ATOM 465 N VAL A 31 -4.497 -3.258 -8.374 1.00 0.00 N ATOM 466 CA VAL A 31 -4.636 -4.573 -7.715 1.00 0.00 C ATOM 467 C VAL A 31 -6.049 -5.159 -7.814 1.00 0.00 C ATOM 468 O VAL A 31 -6.177 -6.318 -8.205 1.00 0.00 O ATOM 469 CB VAL A 31 -4.127 -4.527 -6.261 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.421 -5.829 -5.500 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.609 -4.318 -6.264 1.00 0.00 C ATOM 0 H VAL A 31 -4.046 -2.559 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.999 -5.262 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.646 -3.708 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.043 -5.748 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.497 -6.001 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.931 -6.663 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.244 -4.285 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.129 -5.142 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.372 -3.379 -6.764 1.00 0.00 H new ATOM 481 N LYS A 32 -7.096 -4.359 -7.560 1.00 0.00 N ATOM 482 CA LYS A 32 -8.500 -4.651 -7.911 1.00 0.00 C ATOM 483 C LYS A 32 -8.609 -5.218 -9.335 1.00 0.00 C ATOM 484 O LYS A 32 -8.997 -6.366 -9.533 1.00 0.00 O ATOM 485 CB LYS A 32 -9.305 -3.343 -7.722 1.00 0.00 C ATOM 486 CG LYS A 32 -10.696 -3.273 -8.396 1.00 0.00 C ATOM 487 CD LYS A 32 -10.950 -1.880 -9.010 1.00 0.00 C ATOM 488 CE LYS A 32 -11.999 -1.876 -10.130 1.00 0.00 C ATOM 489 NZ LYS A 32 -11.535 -2.609 -11.334 1.00 0.00 N ATOM 0 H LYS A 32 -6.988 -3.461 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.912 -5.423 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.438 -3.178 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.703 -2.517 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.765 -4.034 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.470 -3.496 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.272 -1.200 -8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.011 -1.491 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.921 -2.328 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.235 -0.847 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.136 -2.360 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.549 -2.349 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.594 -3.633 -11.161 1.00 0.00 H new ATOM 503 N SER A 33 -8.282 -4.390 -10.326 1.00 0.00 N ATOM 504 CA SER A 33 -8.391 -4.690 -11.756 1.00 0.00 C ATOM 505 C SER A 33 -7.499 -5.860 -12.218 1.00 0.00 C ATOM 506 O SER A 33 -7.893 -6.596 -13.126 1.00 0.00 O ATOM 507 CB SER A 33 -8.073 -3.420 -12.554 1.00 0.00 C ATOM 508 OG SER A 33 -8.778 -2.300 -12.025 1.00 0.00 O ATOM 0 H SER A 33 -7.919 -3.453 -10.149 1.00 0.00 H new ATOM 0 HA SER A 33 -9.414 -5.016 -11.941 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.001 -3.227 -12.526 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.344 -3.565 -13.600 1.00 0.00 H new ATOM 0 HG SER A 33 -8.207 -1.826 -11.385 1.00 0.00 H new ATOM 514 N LEU A 34 -6.330 -6.061 -11.587 1.00 0.00 N ATOM 515 CA LEU A 34 -5.428 -7.194 -11.839 1.00 0.00 C ATOM 516 C LEU A 34 -6.004 -8.495 -11.268 1.00 0.00 C ATOM 517 O LEU A 34 -6.026 -9.505 -11.965 1.00 0.00 O ATOM 518 CB LEU A 34 -4.013 -6.970 -11.258 1.00 0.00 C ATOM 519 CG LEU A 34 -3.317 -5.627 -11.523 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.881 -5.612 -11.015 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.361 -5.198 -12.979 1.00 0.00 C ATOM 0 H LEU A 34 -5.979 -5.425 -10.871 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.341 -7.273 -12.923 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.073 -7.105 -10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.368 -7.760 -11.643 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.894 -4.897 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.431 -4.642 -11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.874 -5.790 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.310 -6.393 -11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.851 -4.242 -13.092 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.865 -5.949 -13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.399 -5.095 -13.297 1.00 0.00 H new ATOM 533 N ARG A 35 -6.512 -8.478 -10.023 1.00 0.00 N ATOM 534 CA ARG A 35 -7.205 -9.616 -9.395 1.00 0.00 C ATOM 535 C ARG A 35 -8.490 -9.994 -10.142 1.00 0.00 C ATOM 536 O ARG A 35 -8.816 -11.173 -10.218 1.00 0.00 O ATOM 537 CB ARG A 35 -7.494 -9.300 -7.917 1.00 0.00 C ATOM 538 CG ARG A 35 -6.225 -9.362 -7.047 1.00 0.00 C ATOM 539 CD ARG A 35 -6.476 -8.700 -5.687 1.00 0.00 C ATOM 540 NE ARG A 35 -5.354 -8.906 -4.749 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.307 -9.710 -3.692 1.00 0.00 C ATOM 542 NH1 ARG A 35 -6.304 -10.498 -3.363 1.00 0.00 N ATOM 543 NH2 ARG A 35 -4.234 -9.742 -2.939 1.00 0.00 N ATOM 0 H ARG A 35 -6.451 -7.661 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.547 -10.483 -9.451 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.936 -8.307 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.230 -10.007 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.925 -10.400 -6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.402 -8.860 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.636 -7.631 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.390 -9.104 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.510 -8.364 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.154 -10.508 -3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.229 -11.101 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.435 -9.150 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.198 -10.359 -2.128 1.00 0.00 H new ATOM 557 N GLN A 36 -9.171 -9.022 -10.758 1.00 0.00 N ATOM 558 CA GLN A 36 -10.251 -9.247 -11.729 1.00 0.00 C ATOM 559 C GLN A 36 -9.765 -9.764 -13.103 1.00 0.00 C ATOM 560 O GLN A 36 -10.592 -10.040 -13.968 1.00 0.00 O ATOM 561 CB GLN A 36 -11.055 -7.948 -11.909 1.00 0.00 C ATOM 562 CG GLN A 36 -11.899 -7.604 -10.673 1.00 0.00 C ATOM 563 CD GLN A 36 -12.673 -6.306 -10.875 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.110 -5.237 -11.088 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.991 -6.345 -10.817 1.00 0.00 N ATOM 0 H GLN A 36 -8.983 -8.033 -10.592 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.879 -10.038 -11.318 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.370 -7.126 -12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.709 -8.046 -12.776 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.595 -8.417 -10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.251 -7.512 -9.802 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.468 -7.229 -10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.533 -5.491 -10.949 1.00 0.00 H new ATOM 574 N GLY A 37 -8.451 -9.883 -13.340 1.00 0.00 N ATOM 575 CA GLY A 37 -7.856 -10.426 -14.566 1.00 0.00 C ATOM 576 C GLY A 37 -7.975 -9.530 -15.805 1.00 0.00 C ATOM 577 O GLY A 37 -7.552 -9.938 -16.887 1.00 0.00 O ATOM 0 H GLY A 37 -7.750 -9.593 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.800 -10.624 -14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.326 -11.385 -14.785 1.00 0.00 H new ATOM 581 N LYS A 38 -8.550 -8.325 -15.674 1.00 0.00 N ATOM 582 CA LYS A 38 -8.979 -7.478 -16.796 1.00 0.00 C ATOM 583 C LYS A 38 -7.893 -6.511 -17.287 1.00 0.00 C ATOM 584 O LYS A 38 -8.120 -5.781 -18.250 1.00 0.00 O ATOM 585 CB LYS A 38 -10.305 -6.799 -16.403 1.00 0.00 C ATOM 586 CG LYS A 38 -11.085 -6.024 -17.487 1.00 0.00 C ATOM 587 CD LYS A 38 -11.567 -6.816 -18.722 1.00 0.00 C ATOM 588 CE LYS A 38 -10.538 -7.053 -19.844 1.00 0.00 C ATOM 589 NZ LYS A 38 -9.893 -5.797 -20.287 1.00 0.00 N ATOM 0 H LYS A 38 -8.734 -7.903 -14.764 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.154 -8.100 -17.674 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.966 -7.569 -16.005 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.094 -6.107 -15.588 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.958 -5.573 -17.015 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.453 -5.207 -17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.928 -7.787 -18.383 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.420 -6.290 -19.150 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.774 -7.747 -19.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.032 -7.525 -20.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.353 -5.973 -21.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.622 -5.078 -20.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.250 -5.456 -19.544 1.00 0.00 H new ATOM 603 N SER A 39 -6.704 -6.517 -16.686 1.00 0.00 N ATOM 604 CA SER A 39 -5.506 -5.872 -17.227 1.00 0.00 C ATOM 605 C SER A 39 -4.961 -6.574 -18.476 1.00 0.00 C ATOM 606 O SER A 39 -5.200 -7.762 -18.704 1.00 0.00 O ATOM 607 CB SER A 39 -4.427 -5.861 -16.146 1.00 0.00 C ATOM 608 OG SER A 39 -4.229 -7.156 -15.607 1.00 0.00 O ATOM 0 H SER A 39 -6.542 -6.979 -15.791 1.00 0.00 H new ATOM 0 HA SER A 39 -5.783 -4.861 -17.525 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.491 -5.492 -16.566 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.712 -5.173 -15.350 1.00 0.00 H new ATOM 0 HG SER A 39 -3.783 -7.722 -16.271 1.00 0.00 H new ATOM 614 N LYS A 40 -4.131 -5.865 -19.247 1.00 0.00 N ATOM 615 CA LYS A 40 -3.169 -6.460 -20.187 1.00 0.00 C ATOM 616 C LYS A 40 -1.751 -5.880 -20.044 1.00 0.00 C ATOM 617 O LYS A 40 -0.797 -6.533 -20.460 1.00 0.00 O ATOM 618 CB LYS A 40 -3.715 -6.331 -21.621 1.00 0.00 C ATOM 619 CG LYS A 40 -3.094 -7.293 -22.650 1.00 0.00 C ATOM 620 CD LYS A 40 -3.177 -8.796 -22.357 1.00 0.00 C ATOM 621 CE LYS A 40 -4.589 -9.335 -22.077 1.00 0.00 C ATOM 622 NZ LYS A 40 -4.807 -9.616 -20.637 1.00 0.00 N ATOM 0 H LYS A 40 -4.106 -4.845 -19.237 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.063 -7.517 -19.944 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.792 -6.496 -21.598 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.556 -5.308 -21.962 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.573 -7.111 -23.612 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.042 -7.030 -22.763 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.761 -9.338 -23.206 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.545 -9.017 -21.497 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.327 -8.610 -22.420 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.748 -10.248 -22.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.637 -10.232 -20.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.969 -10.090 -20.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.968 -8.723 -20.130 1.00 0.00 H new ATOM 636 N LEU A 41 -1.590 -4.723 -19.391 1.00 0.00 N ATOM 637 CA LEU A 41 -0.298 -4.081 -19.118 1.00 0.00 C ATOM 638 C LEU A 41 -0.350 -3.376 -17.746 1.00 0.00 C ATOM 639 O LEU A 41 -1.349 -2.720 -17.448 1.00 0.00 O ATOM 640 CB LEU A 41 -0.031 -3.158 -20.330 1.00 0.00 C ATOM 641 CG LEU A 41 0.975 -1.995 -20.292 1.00 0.00 C ATOM 642 CD1 LEU A 41 0.528 -0.898 -19.331 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.421 -2.408 -20.027 1.00 0.00 C ATOM 0 H LEU A 41 -2.380 -4.191 -19.026 1.00 0.00 H new ATOM 0 HA LEU A 41 0.537 -4.776 -19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.276 -3.806 -21.151 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.993 -2.726 -20.608 1.00 0.00 H new ATOM 0 HG LEU A 41 0.975 -1.595 -21.306 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.263 -0.093 -19.330 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.438 -0.507 -19.649 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.439 -1.309 -18.325 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.057 -1.522 -20.018 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.485 -2.910 -19.062 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.755 -3.087 -20.812 1.00 0.00 H new ATOM 655 N ILE A 42 0.717 -3.468 -16.932 1.00 0.00 N ATOM 656 CA ILE A 42 0.948 -2.619 -15.754 1.00 0.00 C ATOM 657 C ILE A 42 2.215 -1.765 -15.920 1.00 0.00 C ATOM 658 O ILE A 42 3.224 -2.233 -16.449 1.00 0.00 O ATOM 659 CB ILE A 42 0.970 -3.402 -14.417 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.204 -4.304 -14.176 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.294 -4.247 -14.201 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.251 -4.833 -12.742 1.00 0.00 C ATOM 0 H ILE A 42 1.459 -4.152 -17.080 1.00 0.00 H new ATOM 0 HA ILE A 42 0.087 -1.953 -15.695 1.00 0.00 H new ATOM 0 HB ILE A 42 1.021 -2.594 -13.688 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.182 -5.143 -14.872 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.113 -3.740 -14.385 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.222 -4.773 -13.249 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.169 -3.597 -14.191 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.390 -4.972 -15.009 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.132 -5.462 -12.615 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.299 -3.995 -12.047 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.355 -5.420 -12.541 1.00 0.00 H new ATOM 674 N ILE A 43 2.161 -0.522 -15.426 1.00 0.00 N ATOM 675 CA ILE A 43 3.250 0.457 -15.424 1.00 0.00 C ATOM 676 C ILE A 43 3.616 0.790 -13.987 1.00 0.00 C ATOM 677 O ILE A 43 2.850 1.467 -13.303 1.00 0.00 O ATOM 678 CB ILE A 43 2.854 1.779 -16.106 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.259 1.643 -17.512 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.078 2.701 -16.166 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.180 0.957 -18.527 1.00 0.00 C ATOM 0 H ILE A 43 1.312 -0.155 -14.995 1.00 0.00 H new ATOM 0 HA ILE A 43 4.080 0.010 -15.971 1.00 0.00 H new ATOM 0 HB ILE A 43 2.055 2.194 -15.491 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.328 1.080 -17.446 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.005 2.636 -17.883 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.804 3.639 -16.648 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.432 2.903 -15.155 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.870 2.217 -16.738 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.680 0.903 -19.494 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.102 1.530 -18.627 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.414 -0.050 -18.183 1.00 0.00 H new ATOM 693 N ILE A 44 4.796 0.369 -13.538 1.00 0.00 N ATOM 694 CA ILE A 44 5.249 0.659 -12.179 1.00 0.00 C ATOM 695 C ILE A 44 6.222 1.846 -12.250 1.00 0.00 C ATOM 696 O ILE A 44 7.396 1.688 -12.602 1.00 0.00 O ATOM 697 CB ILE A 44 5.749 -0.613 -11.448 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.757 -1.797 -11.637 1.00 0.00 C ATOM 699 CG2 ILE A 44 5.890 -0.286 -9.947 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.270 -3.159 -11.169 1.00 0.00 C ATOM 0 H ILE A 44 5.456 -0.174 -14.095 1.00 0.00 H new ATOM 0 HA ILE A 44 4.426 0.973 -11.537 1.00 0.00 H new ATOM 0 HB ILE A 44 6.709 -0.913 -11.868 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.837 -1.569 -11.098 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.498 -1.868 -12.693 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.241 -1.169 -9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.606 0.525 -9.817 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.922 0.018 -9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.505 -3.916 -11.344 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.171 -3.419 -11.724 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.500 -3.115 -10.104 1.00 0.00 H new ATOM 712 N ALA A 45 5.688 3.047 -11.977 1.00 0.00 N ATOM 713 CA ALA A 45 6.400 4.325 -11.869 1.00 0.00 C ATOM 714 C ALA A 45 6.348 4.881 -10.432 1.00 0.00 C ATOM 715 O ALA A 45 6.573 6.066 -10.207 1.00 0.00 O ATOM 716 CB ALA A 45 5.829 5.336 -12.876 1.00 0.00 C ATOM 0 H ALA A 45 4.687 3.156 -11.816 1.00 0.00 H new ATOM 0 HA ALA A 45 7.449 4.152 -12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.365 6.281 -12.787 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.945 4.947 -13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.771 5.498 -12.669 1.00 0.00 H new ATOM 722 N ALA A 46 6.017 4.047 -9.443 1.00 0.00 N ATOM 723 CA ALA A 46 6.334 4.325 -8.050 1.00 0.00 C ATOM 724 C ALA A 46 7.801 3.944 -7.799 1.00 0.00 C ATOM 725 O ALA A 46 8.301 2.983 -8.390 1.00 0.00 O ATOM 726 CB ALA A 46 5.365 3.538 -7.158 1.00 0.00 C ATOM 0 H ALA A 46 5.524 3.166 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 46 6.217 5.383 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.591 3.737 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.342 3.845 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.473 2.472 -7.356 1.00 0.00 H new ATOM 732 N ASN A 47 8.480 4.646 -6.888 1.00 0.00 N ATOM 733 CA ASN A 47 9.816 4.283 -6.419 1.00 0.00 C ATOM 734 C ASN A 47 9.665 3.121 -5.419 1.00 0.00 C ATOM 735 O ASN A 47 9.421 3.318 -4.231 1.00 0.00 O ATOM 736 CB ASN A 47 10.540 5.540 -5.901 1.00 0.00 C ATOM 737 CG ASN A 47 10.779 6.555 -7.023 1.00 0.00 C ATOM 738 OD1 ASN A 47 10.967 6.207 -8.183 1.00 0.00 O ATOM 739 ND2 ASN A 47 10.760 7.841 -6.724 1.00 0.00 N ATOM 0 H ASN A 47 8.112 5.491 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 47 10.464 3.912 -7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.948 6.002 -5.111 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.494 5.255 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.901 8.537 -7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.604 8.138 -5.761 1.00 0.00 H new ATOM 746 N THR A 48 9.663 1.907 -5.975 1.00 0.00 N ATOM 747 CA THR A 48 8.968 0.721 -5.461 1.00 0.00 C ATOM 748 C THR A 48 9.929 -0.289 -4.810 1.00 0.00 C ATOM 749 O THR A 48 10.822 -0.790 -5.495 1.00 0.00 O ATOM 750 CB THR A 48 8.213 0.036 -6.615 1.00 0.00 C ATOM 751 OG1 THR A 48 7.329 0.921 -7.246 1.00 0.00 O ATOM 752 CG2 THR A 48 7.307 -1.088 -6.136 1.00 0.00 C ATOM 0 H THR A 48 10.171 1.713 -6.838 1.00 0.00 H new ATOM 0 HA THR A 48 8.275 1.055 -4.689 1.00 0.00 H new ATOM 0 HB THR A 48 9.003 -0.326 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.804 1.412 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.800 -1.536 -6.991 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.905 -1.847 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.567 -0.688 -5.443 1.00 0.00 H new ATOM 760 N PRO A 49 9.749 -0.661 -3.525 1.00 0.00 N ATOM 761 CA PRO A 49 10.554 -1.706 -2.887 1.00 0.00 C ATOM 762 C PRO A 49 10.189 -3.116 -3.391 1.00 0.00 C ATOM 763 O PRO A 49 9.073 -3.372 -3.850 1.00 0.00 O ATOM 764 CB PRO A 49 10.294 -1.545 -1.386 1.00 0.00 C ATOM 765 CG PRO A 49 8.870 -0.997 -1.332 1.00 0.00 C ATOM 766 CD PRO A 49 8.775 -0.123 -2.583 1.00 0.00 C ATOM 0 HA PRO A 49 11.612 -1.599 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.379 -2.495 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.006 -0.860 -0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.131 -1.798 -1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.697 -0.419 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.770 -0.151 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.993 0.919 -2.348 1.00 0.00 H new ATOM 774 N VAL A 50 11.140 -4.053 -3.257 1.00 0.00 N ATOM 775 CA VAL A 50 11.134 -5.386 -3.889 1.00 0.00 C ATOM 776 C VAL A 50 9.822 -6.152 -3.671 1.00 0.00 C ATOM 777 O VAL A 50 9.180 -6.561 -4.633 1.00 0.00 O ATOM 778 CB VAL A 50 12.349 -6.229 -3.440 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.389 -7.586 -4.159 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.675 -5.507 -3.735 1.00 0.00 C ATOM 0 H VAL A 50 11.969 -3.899 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 50 11.214 -5.210 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 50 12.234 -6.378 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.256 -8.152 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.480 -8.144 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.459 -7.426 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.508 -6.128 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.759 -5.324 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.698 -4.557 -3.202 1.00 0.00 H new ATOM 790 N LEU A 51 9.391 -6.319 -2.416 1.00 0.00 N ATOM 791 CA LEU A 51 8.164 -7.049 -2.082 1.00 0.00 C ATOM 792 C LEU A 51 6.889 -6.392 -2.642 1.00 0.00 C ATOM 793 O LEU A 51 5.860 -7.057 -2.792 1.00 0.00 O ATOM 794 CB LEU A 51 8.052 -7.181 -0.552 1.00 0.00 C ATOM 795 CG LEU A 51 9.181 -7.988 0.119 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.982 -7.975 1.637 1.00 0.00 C ATOM 797 CD2 LEU A 51 9.227 -9.445 -0.353 1.00 0.00 C ATOM 0 H LEU A 51 9.884 -5.951 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 51 8.239 -8.030 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.033 -6.182 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.098 -7.651 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 51 10.122 -7.515 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.779 -8.545 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.005 -6.947 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.019 -8.424 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.041 -9.966 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.282 -9.934 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.391 -9.473 -1.430 1.00 0.00 H new ATOM 809 N ARG A 52 6.926 -5.088 -2.942 1.00 0.00 N ATOM 810 CA ARG A 52 5.775 -4.360 -3.479 1.00 0.00 C ATOM 811 C ARG A 52 5.777 -4.407 -5.004 1.00 0.00 C ATOM 812 O ARG A 52 4.727 -4.692 -5.584 1.00 0.00 O ATOM 813 CB ARG A 52 5.740 -2.933 -2.891 1.00 0.00 C ATOM 814 CG ARG A 52 4.298 -2.409 -2.772 1.00 0.00 C ATOM 815 CD ARG A 52 3.604 -2.844 -1.459 1.00 0.00 C ATOM 816 NE ARG A 52 3.916 -4.243 -1.095 1.00 0.00 N ATOM 817 CZ ARG A 52 3.104 -5.286 -1.027 1.00 0.00 C ATOM 818 NH1 ARG A 52 1.813 -5.188 -0.853 1.00 0.00 N ATOM 819 NH2 ARG A 52 3.575 -6.499 -1.179 1.00 0.00 N ATOM 0 H ARG A 52 7.757 -4.509 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 52 4.846 -4.841 -3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.211 -2.931 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.321 -2.263 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.307 -1.321 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.716 -2.768 -3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.915 -2.183 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.525 -2.731 -1.566 1.00 0.00 H new ATOM 0 HE ARG A 52 4.892 -4.430 -0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.379 -4.269 -0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.239 -6.030 -0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.570 -6.642 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.946 -7.301 -1.126 1.00 0.00 H new ATOM 833 N LYS A 53 6.955 -4.265 -5.642 1.00 0.00 N ATOM 834 CA LYS A 53 7.069 -4.519 -7.083 1.00 0.00 C ATOM 835 C LYS A 53 6.637 -5.954 -7.363 1.00 0.00 C ATOM 836 O LYS A 53 5.791 -6.175 -8.224 1.00 0.00 O ATOM 837 CB LYS A 53 8.453 -4.180 -7.694 1.00 0.00 C ATOM 838 CG LYS A 53 9.543 -5.268 -7.660 1.00 0.00 C ATOM 839 CD LYS A 53 10.725 -5.003 -8.602 1.00 0.00 C ATOM 840 CE LYS A 53 11.663 -6.218 -8.743 1.00 0.00 C ATOM 841 NZ LYS A 53 10.962 -7.473 -9.132 1.00 0.00 N ATOM 0 H LYS A 53 7.824 -3.981 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 53 6.399 -3.826 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.298 -3.895 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.841 -3.302 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.918 -5.359 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.093 -6.226 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.345 -4.728 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.295 -4.151 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.426 -5.992 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.179 -6.379 -7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.662 -8.186 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.417 -7.832 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.317 -7.279 -9.925 1.00 0.00 H new ATOM 855 N SER A 54 7.171 -6.918 -6.602 1.00 0.00 N ATOM 856 CA SER A 54 6.978 -8.324 -6.916 1.00 0.00 C ATOM 857 C SER A 54 5.603 -8.856 -6.508 1.00 0.00 C ATOM 858 O SER A 54 5.159 -9.811 -7.131 1.00 0.00 O ATOM 859 CB SER A 54 8.152 -9.191 -6.460 1.00 0.00 C ATOM 860 OG SER A 54 9.270 -8.924 -7.302 1.00 0.00 O ATOM 0 H SER A 54 7.736 -6.743 -5.771 1.00 0.00 H new ATOM 0 HA SER A 54 6.976 -8.397 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.401 -8.974 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.884 -10.246 -6.510 1.00 0.00 H new ATOM 0 HG SER A 54 9.154 -9.388 -8.157 1.00 0.00 H new ATOM 866 N GLU A 55 4.857 -8.215 -5.594 1.00 0.00 N ATOM 867 CA GLU A 55 3.409 -8.468 -5.514 1.00 0.00 C ATOM 868 C GLU A 55 2.645 -7.960 -6.762 1.00 0.00 C ATOM 869 O GLU A 55 1.787 -8.678 -7.275 1.00 0.00 O ATOM 870 CB GLU A 55 2.843 -7.869 -4.220 1.00 0.00 C ATOM 871 CG GLU A 55 1.476 -8.465 -3.854 1.00 0.00 C ATOM 872 CD GLU A 55 0.784 -7.651 -2.755 1.00 0.00 C ATOM 873 OE1 GLU A 55 1.251 -7.691 -1.593 1.00 0.00 O ATOM 874 OE2 GLU A 55 -0.170 -6.894 -3.080 1.00 0.00 O ATOM 0 H GLU A 55 5.217 -7.539 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 55 3.262 -9.548 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.544 -8.044 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.748 -6.789 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.842 -8.495 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.605 -9.494 -3.519 1.00 0.00 H new ATOM 881 N LEU A 56 2.965 -6.775 -7.312 1.00 0.00 N ATOM 882 CA LEU A 56 2.375 -6.326 -8.594 1.00 0.00 C ATOM 883 C LEU A 56 2.690 -7.250 -9.769 1.00 0.00 C ATOM 884 O LEU A 56 1.821 -7.605 -10.563 1.00 0.00 O ATOM 885 CB LEU A 56 2.779 -4.885 -8.905 1.00 0.00 C ATOM 886 CG LEU A 56 2.167 -3.854 -7.944 1.00 0.00 C ATOM 887 CD1 LEU A 56 2.077 -2.538 -8.688 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.746 -4.214 -7.512 1.00 0.00 C ATOM 0 H LEU A 56 3.622 -6.114 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 56 1.294 -6.369 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.865 -4.805 -8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.477 -4.644 -9.924 1.00 0.00 H new ATOM 0 HG LEU A 56 2.797 -3.814 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.646 -1.780 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.075 -2.226 -8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.446 -2.660 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.367 -3.449 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.103 -4.272 -8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.754 -5.178 -7.003 1.00 0.00 H new ATOM 900 N GLU A 57 3.947 -7.651 -9.822 1.00 0.00 N ATOM 901 CA GLU A 57 4.534 -8.651 -10.722 1.00 0.00 C ATOM 902 C GLU A 57 3.784 -9.996 -10.590 1.00 0.00 C ATOM 903 O GLU A 57 3.404 -10.597 -11.595 1.00 0.00 O ATOM 904 CB GLU A 57 6.013 -8.744 -10.324 1.00 0.00 C ATOM 905 CG GLU A 57 7.108 -9.174 -11.296 1.00 0.00 C ATOM 906 CD GLU A 57 8.450 -8.776 -10.643 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.817 -9.356 -9.590 1.00 0.00 O ATOM 908 OE2 GLU A 57 9.064 -7.765 -11.073 1.00 0.00 O ATOM 0 H GLU A 57 4.646 -7.260 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 57 4.448 -8.377 -11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.297 -7.759 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.064 -9.429 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.067 -10.248 -11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.985 -8.683 -12.262 1.00 0.00 H new ATOM 915 N TYR A 58 3.491 -10.431 -9.354 1.00 0.00 N ATOM 916 CA TYR A 58 2.647 -11.587 -9.044 1.00 0.00 C ATOM 917 C TYR A 58 1.222 -11.428 -9.595 1.00 0.00 C ATOM 918 O TYR A 58 0.725 -12.350 -10.237 1.00 0.00 O ATOM 919 CB TYR A 58 2.650 -11.841 -7.528 1.00 0.00 C ATOM 920 CG TYR A 58 2.189 -13.210 -7.083 1.00 0.00 C ATOM 921 CD1 TYR A 58 3.101 -14.280 -7.106 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.896 -13.396 -6.557 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.721 -15.550 -6.630 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.520 -14.655 -6.054 1.00 0.00 C ATOM 925 CZ TYR A 58 1.423 -15.738 -6.102 1.00 0.00 C ATOM 926 OH TYR A 58 1.044 -16.953 -5.622 1.00 0.00 O ATOM 0 H TYR A 58 3.849 -9.969 -8.518 1.00 0.00 H new ATOM 0 HA TYR A 58 3.066 -12.460 -9.543 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.662 -11.682 -7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.014 -11.094 -7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.098 -14.127 -7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.195 -12.575 -6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.417 -16.375 -6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.463 -14.793 -5.630 1.00 0.00 H new ATOM 0 HH TYR A 58 0.121 -16.903 -5.297 1.00 0.00 H new ATOM 936 N TYR A 59 0.556 -10.278 -9.414 1.00 0.00 N ATOM 937 CA TYR A 59 -0.763 -10.059 -10.033 1.00 0.00 C ATOM 938 C TYR A 59 -0.709 -10.018 -11.568 1.00 0.00 C ATOM 939 O TYR A 59 -1.600 -10.567 -12.225 1.00 0.00 O ATOM 940 CB TYR A 59 -1.435 -8.787 -9.519 1.00 0.00 C ATOM 941 CG TYR A 59 -1.600 -8.676 -8.017 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.232 -9.695 -7.278 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.135 -7.526 -7.362 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.365 -9.574 -5.882 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.268 -7.396 -5.972 1.00 0.00 C ATOM 946 CZ TYR A 59 -1.889 -8.416 -5.226 1.00 0.00 C ATOM 947 OH TYR A 59 -2.045 -8.260 -3.883 1.00 0.00 O ATOM 0 H TYR A 59 0.900 -9.497 -8.855 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.359 -10.923 -9.738 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.856 -7.931 -9.864 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.421 -8.711 -9.978 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.615 -10.570 -7.783 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.671 -6.735 -7.932 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.830 -10.365 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.894 -6.514 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.699 -7.384 -3.613 1.00 0.00 H new ATOM 957 N ALA A 60 0.324 -9.403 -12.160 1.00 0.00 N ATOM 958 CA ALA A 60 0.580 -9.473 -13.598 1.00 0.00 C ATOM 959 C ALA A 60 0.755 -10.922 -14.119 1.00 0.00 C ATOM 960 O ALA A 60 0.344 -11.219 -15.242 1.00 0.00 O ATOM 961 CB ALA A 60 1.792 -8.611 -13.933 1.00 0.00 C ATOM 0 H ALA A 60 1.006 -8.842 -11.650 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.300 -9.087 -14.112 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.988 -8.659 -15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.594 -7.578 -13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.662 -8.979 -13.388 1.00 0.00 H new ATOM 967 N MET A 61 1.331 -11.813 -13.295 1.00 0.00 N ATOM 968 CA MET A 61 1.514 -13.251 -13.547 1.00 0.00 C ATOM 969 C MET A 61 0.250 -14.099 -13.283 1.00 0.00 C ATOM 970 O MET A 61 0.019 -15.074 -14.004 1.00 0.00 O ATOM 971 CB MET A 61 2.679 -13.735 -12.665 1.00 0.00 C ATOM 972 CG MET A 61 3.056 -15.208 -12.868 1.00 0.00 C ATOM 973 SD MET A 61 4.182 -15.861 -11.605 1.00 0.00 S ATOM 974 CE MET A 61 3.044 -15.986 -10.194 1.00 0.00 C ATOM 0 H MET A 61 1.701 -11.534 -12.386 1.00 0.00 H new ATOM 0 HA MET A 61 1.729 -13.383 -14.607 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.554 -13.117 -12.868 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.415 -13.581 -11.619 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.146 -15.808 -12.874 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.520 -15.322 -13.848 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.539 -16.504 -9.372 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.754 -14.986 -9.871 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.155 -16.543 -10.491 1.00 0.00 H new ATOM 984 N LEU A 62 -0.557 -13.765 -12.263 1.00 0.00 N ATOM 985 CA LEU A 62 -1.861 -14.383 -11.974 1.00 0.00 C ATOM 986 C LEU A 62 -2.879 -14.052 -13.072 1.00 0.00 C ATOM 987 O LEU A 62 -3.421 -14.959 -13.711 1.00 0.00 O ATOM 988 CB LEU A 62 -2.398 -13.902 -10.615 1.00 0.00 C ATOM 989 CG LEU A 62 -1.708 -14.493 -9.372 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.245 -13.750 -8.146 1.00 0.00 C ATOM 991 CD2 LEU A 62 -1.990 -15.988 -9.194 1.00 0.00 C ATOM 0 H LEU A 62 -0.312 -13.034 -11.595 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.717 -15.463 -11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.309 -12.816 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.461 -14.137 -10.563 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.631 -14.376 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.775 -14.146 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.019 -12.688 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.324 -13.887 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.479 -16.351 -8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.063 -16.146 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.629 -16.533 -10.066 1.00 0.00 H new ATOM 1003 N SER A 63 -3.079 -12.755 -13.338 1.00 0.00 N ATOM 1004 CA SER A 63 -3.621 -12.270 -14.611 1.00 0.00 C ATOM 1005 C SER A 63 -2.687 -12.659 -15.770 1.00 0.00 C ATOM 1006 O SER A 63 -1.720 -13.396 -15.585 1.00 0.00 O ATOM 1007 CB SER A 63 -3.858 -10.753 -14.546 1.00 0.00 C ATOM 1008 OG SER A 63 -2.635 -10.043 -14.507 1.00 0.00 O ATOM 0 H SER A 63 -2.868 -12.011 -12.673 1.00 0.00 H new ATOM 0 HA SER A 63 -4.586 -12.743 -14.795 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.438 -10.436 -15.413 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.449 -10.513 -13.662 1.00 0.00 H new ATOM 0 HG SER A 63 -2.236 -10.127 -13.616 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.977 -12.229 -17.001 1.00 0.00 N ATOM 1015 CA LYS A 64 -2.056 -12.416 -18.129 1.00 0.00 C ATOM 1016 C LYS A 64 -1.731 -11.049 -18.710 1.00 0.00 C ATOM 1017 O LYS A 64 -2.480 -10.528 -19.534 1.00 0.00 O ATOM 1018 CB LYS A 64 -2.598 -13.473 -19.110 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.790 -14.859 -18.446 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.478 -15.561 -18.040 1.00 0.00 C ATOM 1021 CE LYS A 64 -1.709 -16.698 -17.032 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.843 -16.207 -15.636 1.00 0.00 N ATOM 0 H LYS A 64 -3.843 -11.748 -17.244 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.102 -12.840 -17.817 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.551 -13.133 -19.515 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.911 -13.569 -19.951 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.413 -14.740 -17.559 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.335 -15.505 -19.134 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.993 -15.961 -18.930 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.796 -14.829 -17.608 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.610 -17.246 -17.308 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.878 -17.402 -17.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.451 -16.856 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.904 -16.163 -15.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.268 -15.258 -15.641 1.00 0.00 H new ATOM 1036 N THR A 65 -0.671 -10.440 -18.167 1.00 0.00 N ATOM 1037 CA THR A 65 -0.426 -8.995 -18.188 1.00 0.00 C ATOM 1038 C THR A 65 1.071 -8.697 -18.354 1.00 0.00 C ATOM 1039 O THR A 65 1.904 -9.316 -17.695 1.00 0.00 O ATOM 1040 CB THR A 65 -0.914 -8.432 -16.844 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.306 -8.616 -16.663 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.620 -6.959 -16.603 1.00 0.00 C ATOM 0 H THR A 65 0.064 -10.957 -17.685 1.00 0.00 H new ATOM 0 HA THR A 65 -0.952 -8.538 -19.026 1.00 0.00 H new ATOM 0 HB THR A 65 -0.335 -9.010 -16.123 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.472 -9.011 -15.781 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.007 -6.666 -15.627 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.457 -6.794 -16.631 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.099 -6.361 -17.378 1.00 0.00 H new ATOM 1050 N LYS A 66 1.418 -7.700 -19.180 1.00 0.00 N ATOM 1051 CA LYS A 66 2.790 -7.204 -19.357 1.00 0.00 C ATOM 1052 C LYS A 66 3.184 -6.288 -18.191 1.00 0.00 C ATOM 1053 O LYS A 66 2.524 -5.282 -17.952 1.00 0.00 O ATOM 1054 CB LYS A 66 2.869 -6.454 -20.705 1.00 0.00 C ATOM 1055 CG LYS A 66 4.160 -5.644 -20.932 1.00 0.00 C ATOM 1056 CD LYS A 66 5.435 -6.493 -20.912 1.00 0.00 C ATOM 1057 CE LYS A 66 6.652 -5.577 -21.055 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.895 -6.370 -21.108 1.00 0.00 N ATOM 0 H LYS A 66 0.737 -7.205 -19.756 1.00 0.00 H new ATOM 0 HA LYS A 66 3.491 -8.039 -19.366 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.768 -7.179 -21.512 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.018 -5.777 -20.776 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.092 -5.131 -21.891 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.235 -4.875 -20.163 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.496 -7.056 -19.981 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.415 -7.220 -21.724 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.558 -4.977 -21.960 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.692 -4.883 -20.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.710 -5.732 -21.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.991 -6.924 -20.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.861 -7.015 -21.923 1.00 0.00 H new ATOM 1072 N VAL A 67 4.281 -6.594 -17.494 1.00 0.00 N ATOM 1073 CA VAL A 67 4.915 -5.667 -16.543 1.00 0.00 C ATOM 1074 C VAL A 67 5.882 -4.739 -17.278 1.00 0.00 C ATOM 1075 O VAL A 67 6.787 -5.214 -17.967 1.00 0.00 O ATOM 1076 CB VAL A 67 5.675 -6.416 -15.430 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.216 -5.439 -14.374 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.762 -7.406 -14.707 1.00 0.00 C ATOM 0 H VAL A 67 4.758 -7.492 -17.571 1.00 0.00 H new ATOM 0 HA VAL A 67 4.119 -5.084 -16.079 1.00 0.00 H new ATOM 0 HB VAL A 67 6.496 -6.943 -15.917 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.747 -5.995 -13.602 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.899 -4.733 -14.847 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.386 -4.895 -13.923 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.326 -7.919 -13.928 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.927 -6.869 -14.257 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.381 -8.137 -15.420 1.00 0.00 H new ATOM 1088 N TYR A 68 5.728 -3.424 -17.089 1.00 0.00 N ATOM 1089 CA TYR A 68 6.709 -2.421 -17.487 1.00 0.00 C ATOM 1090 C TYR A 68 7.176 -1.570 -16.296 1.00 0.00 C ATOM 1091 O TYR A 68 6.393 -0.877 -15.640 1.00 0.00 O ATOM 1092 CB TYR A 68 6.145 -1.555 -18.610 1.00 0.00 C ATOM 1093 CG TYR A 68 7.173 -0.576 -19.137 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.162 -1.011 -20.041 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.190 0.749 -18.657 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.161 -0.119 -20.473 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.189 1.640 -19.084 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.175 1.206 -19.992 1.00 0.00 C ATOM 1099 OH TYR A 68 10.145 2.064 -20.397 1.00 0.00 O ATOM 0 H TYR A 68 4.901 -3.024 -16.646 1.00 0.00 H new ATOM 0 HA TYR A 68 7.592 -2.940 -17.860 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.801 -2.194 -19.424 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.276 -1.008 -18.245 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.154 -2.029 -20.402 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.434 1.080 -17.960 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.916 -0.449 -21.172 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.201 2.656 -18.717 1.00 0.00 H new ATOM 0 HH TYR A 68 10.008 2.937 -19.973 1.00 0.00 H new ATOM 1109 N TYR A 69 8.486 -1.615 -16.034 1.00 0.00 N ATOM 1110 CA TYR A 69 9.160 -0.787 -15.039 1.00 0.00 C ATOM 1111 C TYR A 69 9.516 0.583 -15.621 1.00 0.00 C ATOM 1112 O TYR A 69 10.525 0.758 -16.308 1.00 0.00 O ATOM 1113 CB TYR A 69 10.366 -1.550 -14.472 1.00 0.00 C ATOM 1114 CG TYR A 69 9.911 -2.642 -13.526 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.357 -2.258 -12.292 1.00 0.00 C ATOM 1116 CD2 TYR A 69 9.923 -4.002 -13.901 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.787 -3.221 -11.449 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.370 -4.977 -13.043 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.788 -4.583 -11.817 1.00 0.00 C ATOM 1120 OH TYR A 69 8.221 -5.498 -10.986 1.00 0.00 O ATOM 0 H TYR A 69 9.120 -2.246 -16.523 1.00 0.00 H new ATOM 0 HA TYR A 69 8.490 -0.583 -14.204 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.943 -1.986 -15.287 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.026 -0.859 -13.948 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.371 -1.220 -11.994 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.356 -4.297 -14.845 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.344 -2.919 -10.512 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.392 -6.020 -13.322 1.00 0.00 H new ATOM 0 HH TYR A 69 8.879 -6.188 -10.762 1.00 0.00 H new ATOM 1130 N PHE A 70 8.665 1.573 -15.344 1.00 0.00 N ATOM 1131 CA PHE A 70 8.852 2.966 -15.752 1.00 0.00 C ATOM 1132 C PHE A 70 9.825 3.720 -14.837 1.00 0.00 C ATOM 1133 O PHE A 70 10.328 4.761 -15.243 1.00 0.00 O ATOM 1134 CB PHE A 70 7.466 3.619 -15.765 1.00 0.00 C ATOM 1135 CG PHE A 70 7.341 5.026 -16.336 1.00 0.00 C ATOM 1136 CD1 PHE A 70 7.802 6.152 -15.625 1.00 0.00 C ATOM 1137 CD2 PHE A 70 6.708 5.212 -17.579 1.00 0.00 C ATOM 1138 CE1 PHE A 70 7.706 7.436 -16.189 1.00 0.00 C ATOM 1139 CE2 PHE A 70 6.587 6.500 -18.129 1.00 0.00 C ATOM 1140 CZ PHE A 70 7.105 7.610 -17.445 1.00 0.00 C ATOM 0 H PHE A 70 7.805 1.424 -14.816 1.00 0.00 H new ATOM 0 HA PHE A 70 9.307 3.005 -16.742 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.797 2.970 -16.329 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.098 3.642 -14.739 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.231 6.028 -14.642 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.313 4.361 -18.113 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.095 8.290 -15.655 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.094 6.635 -19.080 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.041 8.595 -17.884 1.00 0.00 H new ATOM 1224 N LEU A 77 5.332 10.232 -15.565 1.00 0.00 N ATOM 1225 CA LEU A 77 4.112 9.548 -16.020 1.00 0.00 C ATOM 1226 C LEU A 77 2.808 10.297 -15.695 1.00 0.00 C ATOM 1227 O LEU A 77 1.794 10.075 -16.360 1.00 0.00 O ATOM 1228 CB LEU A 77 4.111 8.137 -15.406 1.00 0.00 C ATOM 1229 CG LEU A 77 2.998 7.194 -15.905 1.00 0.00 C ATOM 1230 CD1 LEU A 77 2.984 6.989 -17.424 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.231 5.828 -15.269 1.00 0.00 C ATOM 0 HA LEU A 77 4.134 9.507 -17.109 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.075 7.671 -15.609 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.024 8.231 -14.324 1.00 0.00 H new ATOM 0 HG LEU A 77 2.048 7.653 -15.630 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.172 6.313 -17.692 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.836 7.949 -17.919 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.934 6.559 -17.742 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.458 5.135 -15.602 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.210 5.451 -15.566 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.192 5.921 -14.184 1.00 0.00 H new ATOM 1243 N GLY A 78 2.847 11.245 -14.747 1.00 0.00 N ATOM 1244 CA GLY A 78 1.791 12.247 -14.543 1.00 0.00 C ATOM 1245 C GLY A 78 1.355 12.924 -15.848 1.00 0.00 C ATOM 1246 O GLY A 78 0.174 13.224 -16.013 1.00 0.00 O ATOM 0 H GLY A 78 3.623 11.338 -14.092 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.927 11.769 -14.081 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.146 13.006 -13.846 1.00 0.00 H new ATOM 1250 N THR A 79 2.292 13.094 -16.790 1.00 0.00 N ATOM 1251 CA THR A 79 2.065 13.636 -18.135 1.00 0.00 C ATOM 1252 C THR A 79 1.007 12.838 -18.904 1.00 0.00 C ATOM 1253 O THR A 79 0.085 13.433 -19.456 1.00 0.00 O ATOM 1254 CB THR A 79 3.379 13.676 -18.940 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.439 14.188 -18.159 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.264 14.553 -20.186 1.00 0.00 C ATOM 0 H THR A 79 3.269 12.847 -16.629 1.00 0.00 H new ATOM 0 HA THR A 79 1.693 14.653 -18.008 1.00 0.00 H new ATOM 0 HB THR A 79 3.580 12.646 -19.234 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.261 14.201 -18.692 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.213 14.551 -20.721 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.481 14.162 -20.835 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.016 15.573 -19.892 1.00 0.00 H new ATOM 1264 N ALA A 80 1.109 11.501 -18.926 1.00 0.00 N ATOM 1265 CA ALA A 80 0.149 10.631 -19.603 1.00 0.00 C ATOM 1266 C ALA A 80 -1.240 10.642 -18.960 1.00 0.00 C ATOM 1267 O ALA A 80 -2.249 10.638 -19.663 1.00 0.00 O ATOM 1268 CB ALA A 80 0.686 9.197 -19.609 1.00 0.00 C ATOM 0 H ALA A 80 1.867 10.994 -18.470 1.00 0.00 H new ATOM 0 HA ALA A 80 0.034 11.016 -20.616 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.026 8.544 -20.113 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.640 9.168 -20.135 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.827 8.857 -18.583 1.00 0.00 H new ATOM 1274 N VAL A 81 -1.290 10.595 -17.624 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.538 10.390 -16.877 1.00 0.00 C ATOM 1276 C VAL A 81 -3.274 11.693 -16.548 1.00 0.00 C ATOM 1277 O VAL A 81 -4.470 11.654 -16.244 1.00 0.00 O ATOM 1278 CB VAL A 81 -2.284 9.569 -15.599 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.660 8.204 -15.922 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.364 10.274 -14.601 1.00 0.00 C ATOM 0 H VAL A 81 -0.467 10.698 -17.030 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.197 9.827 -17.538 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.268 9.447 -15.146 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.494 7.652 -14.997 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.334 7.639 -16.566 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.708 8.351 -16.432 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.226 9.642 -13.724 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.397 10.462 -15.068 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.812 11.221 -14.299 1.00 0.00 H new ATOM 1405 N VAL A 89 1.688 3.831 -9.751 1.00 0.00 N ATOM 1406 CA VAL A 89 1.387 2.737 -10.683 1.00 0.00 C ATOM 1407 C VAL A 89 0.157 3.057 -11.534 1.00 0.00 C ATOM 1408 O VAL A 89 -0.876 3.493 -11.021 1.00 0.00 O ATOM 1409 CB VAL A 89 1.275 1.394 -9.927 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.247 1.412 -8.785 1.00 0.00 C ATOM 1411 CG2 VAL A 89 0.951 0.226 -10.867 1.00 0.00 C ATOM 0 HA VAL A 89 2.216 2.632 -11.383 1.00 0.00 H new ATOM 0 HB VAL A 89 2.262 1.248 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.224 0.436 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.527 2.172 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.740 1.641 -9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.882 -0.697 -10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.000 0.414 -11.366 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.740 0.130 -11.613 1.00 0.00 H new ATOM 1421 N VAL A 90 0.282 2.793 -12.836 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.806 2.815 -13.822 1.00 0.00 C ATOM 1423 C VAL A 90 -1.003 1.381 -14.318 1.00 0.00 C ATOM 1424 O VAL A 90 -0.118 0.527 -14.200 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.494 3.789 -14.988 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.665 3.977 -15.968 1.00 0.00 C ATOM 1427 CG2 VAL A 90 -0.069 5.172 -14.477 1.00 0.00 C ATOM 0 H VAL A 90 1.180 2.548 -13.252 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.725 3.181 -13.365 1.00 0.00 H new ATOM 0 HB VAL A 90 0.328 3.315 -15.525 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.372 4.671 -16.756 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.927 3.016 -16.410 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.526 4.377 -15.433 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.141 5.824 -15.325 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.872 5.601 -13.878 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.827 5.074 -13.864 1.00 0.00 H new ATOM 1437 N SER A 91 -2.160 1.051 -14.880 1.00 0.00 N ATOM 1438 CA SER A 91 -2.325 -0.186 -15.648 1.00 0.00 C ATOM 1439 C SER A 91 -3.362 0.021 -16.751 1.00 0.00 C ATOM 1440 O SER A 91 -4.275 0.828 -16.583 1.00 0.00 O ATOM 1441 CB SER A 91 -2.704 -1.339 -14.713 1.00 0.00 C ATOM 1442 OG SER A 91 -1.778 -1.430 -13.641 1.00 0.00 O ATOM 0 H SER A 91 -3.003 1.622 -14.820 1.00 0.00 H new ATOM 0 HA SER A 91 -1.382 -0.449 -16.126 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.709 -1.183 -14.322 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.720 -2.276 -15.269 1.00 0.00 H new ATOM 0 HG SER A 91 -0.923 -1.035 -13.913 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.227 -0.702 -17.867 1.00 0.00 N ATOM 1449 CA ILE A 92 -4.124 -0.644 -19.025 1.00 0.00 C ATOM 1450 C ILE A 92 -4.889 -1.968 -19.137 1.00 0.00 C ATOM 1451 O ILE A 92 -4.304 -3.056 -19.099 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.350 -0.323 -20.325 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.509 0.969 -20.220 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.298 -0.245 -21.538 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -3.292 2.242 -19.886 1.00 0.00 C ATOM 0 H ILE A 92 -2.464 -1.367 -17.993 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.839 0.166 -18.881 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.655 -1.150 -20.473 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.745 0.823 -19.457 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.989 1.121 -21.166 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.723 -0.018 -22.435 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.806 -1.201 -21.665 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.037 0.539 -21.373 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.607 3.088 -19.836 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.038 2.424 -20.660 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.790 2.121 -18.924 1.00 0.00 H new ATOM 1467 N LEU A 93 -6.210 -1.839 -19.273 1.00 0.00 N ATOM 1468 CA LEU A 93 -7.187 -2.919 -19.337 1.00 0.00 C ATOM 1469 C LEU A 93 -7.511 -3.287 -20.790 1.00 0.00 C ATOM 1470 O LEU A 93 -7.529 -4.470 -21.132 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.457 -2.513 -18.561 1.00 0.00 C ATOM 1472 CG LEU A 93 -8.252 -2.262 -17.048 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.816 -0.831 -16.716 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.564 -2.502 -16.293 1.00 0.00 C ATOM 0 H LEU A 93 -6.649 -0.921 -19.345 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.763 -3.808 -18.871 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.865 -1.608 -19.011 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.205 -3.296 -18.685 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.463 -2.951 -16.747 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.692 -0.729 -15.638 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.870 -0.615 -17.212 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.576 -0.130 -17.061 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.410 -2.323 -15.229 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.329 -1.822 -16.668 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.888 -3.532 -16.444 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.747 -2.279 -21.636 1.00 0.00 N ATOM 1487 CA GLU A 94 -7.985 -2.389 -23.078 1.00 0.00 C ATOM 1488 C GLU A 94 -7.341 -1.192 -23.792 1.00 0.00 C ATOM 1489 O GLU A 94 -7.731 -0.041 -23.565 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.492 -2.446 -23.384 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.085 -3.863 -23.292 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.448 -3.837 -22.604 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -12.471 -3.633 -23.292 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -11.483 -3.923 -21.349 1.00 0.00 O ATOM 0 H GLU A 94 -7.779 -1.311 -21.315 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.535 -3.314 -23.440 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.021 -1.794 -22.689 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.666 -2.052 -24.385 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.185 -4.286 -24.292 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.406 -4.511 -22.739 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.345 -1.473 -24.641 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.630 -0.481 -25.435 1.00 0.00 C ATOM 1503 C ALA A 95 -6.490 0.103 -26.566 1.00 0.00 C ATOM 1504 O ALA A 95 -6.266 -0.169 -27.744 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.326 -1.073 -25.968 1.00 0.00 C ATOM 0 H ALA A 95 -6.009 -2.424 -24.795 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.391 0.355 -24.778 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.801 -0.323 -26.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.698 -1.381 -25.132 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.548 -1.938 -26.593 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.409 1.005 -26.213 1.00 0.00 N ATOM 1512 CA GLY A 96 -7.956 2.004 -27.137 1.00 0.00 C ATOM 1513 C GLY A 96 -6.888 3.033 -27.524 1.00 0.00 C ATOM 1514 O GLY A 96 -7.052 4.223 -27.269 1.00 0.00 O ATOM 0 H GLY A 96 -7.798 1.064 -25.272 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.332 1.510 -28.033 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.803 2.510 -26.673 1.00 0.00 H new ATOM 1518 N ASP A 97 -5.785 2.560 -28.107 1.00 0.00 N ATOM 1519 CA ASP A 97 -4.534 3.263 -28.383 1.00 0.00 C ATOM 1520 C ASP A 97 -4.387 3.424 -29.908 1.00 0.00 C ATOM 1521 O ASP A 97 -5.215 4.073 -30.553 1.00 0.00 O ATOM 1522 CB ASP A 97 -3.407 2.450 -27.698 1.00 0.00 C ATOM 1523 CG ASP A 97 -1.985 2.992 -27.925 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -1.672 4.090 -27.449 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -1.238 2.335 -28.696 1.00 0.00 O ATOM 0 H ASP A 97 -5.742 1.592 -28.425 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.497 4.275 -27.980 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.601 2.420 -26.626 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.450 1.422 -28.059 1.00 0.00 H new ATOM 1530 N SER A 98 -3.310 2.863 -30.452 1.00 0.00 N ATOM 1531 CA SER A 98 -3.158 2.127 -31.686 1.00 0.00 C ATOM 1532 C SER A 98 -2.940 0.658 -31.258 1.00 0.00 C ATOM 1533 O SER A 98 -3.865 -0.147 -31.256 1.00 0.00 O ATOM 1534 CB SER A 98 -1.989 2.790 -32.449 1.00 0.00 C ATOM 1535 OG SER A 98 -1.318 1.934 -33.349 1.00 0.00 O ATOM 0 H SER A 98 -2.414 2.928 -29.968 1.00 0.00 H new ATOM 0 HA SER A 98 -4.007 2.140 -32.369 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.372 3.648 -33.001 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.269 3.172 -31.725 1.00 0.00 H new ATOM 0 HG SER A 98 -0.381 1.841 -33.076 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.700 0.344 -30.878 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.098 -0.962 -30.612 1.00 0.00 C ATOM 1543 C ASP A 99 -0.666 -1.304 -29.166 1.00 0.00 C ATOM 1544 O ASP A 99 -0.355 -2.476 -28.944 1.00 0.00 O ATOM 1545 CB ASP A 99 0.090 -1.105 -31.583 1.00 0.00 C ATOM 1546 CG ASP A 99 1.024 0.113 -31.545 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.606 1.205 -32.014 1.00 0.00 O ATOM 1548 OD2 ASP A 99 2.094 0.016 -30.904 1.00 0.00 O ATOM 0 H ASP A 99 -1.015 1.086 -30.733 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.897 -1.687 -30.765 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.656 -2.002 -31.331 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -0.287 -1.240 -32.597 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.555 -0.350 -28.219 1.00 0.00 N ATOM 1554 CA ILE A 100 0.550 -0.318 -27.222 1.00 0.00 C ATOM 1555 C ILE A 100 1.006 -1.669 -26.656 1.00 0.00 C ATOM 1556 O ILE A 100 2.172 -2.022 -26.797 1.00 0.00 O ATOM 1557 CB ILE A 100 0.319 0.723 -26.086 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.665 1.122 -25.439 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.660 0.226 -25.001 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.566 2.270 -24.420 1.00 0.00 C ATOM 0 H ILE A 100 -1.220 0.417 -28.119 1.00 0.00 H new ATOM 0 HA ILE A 100 1.392 0.014 -27.830 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.139 1.595 -26.553 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.089 0.249 -24.944 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.361 1.411 -26.227 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.779 0.996 -24.238 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.628 0.012 -25.455 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.265 -0.681 -24.543 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.555 2.484 -24.016 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.174 3.160 -24.912 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.898 1.980 -23.609 1.00 0.00 H new ATOM 1572 N LEU A 101 0.130 -2.442 -26.008 1.00 0.00 N ATOM 1573 CA LEU A 101 0.524 -3.651 -25.284 1.00 0.00 C ATOM 1574 C LEU A 101 0.778 -4.877 -26.180 1.00 0.00 C ATOM 1575 O LEU A 101 1.187 -5.922 -25.681 1.00 0.00 O ATOM 1576 CB LEU A 101 -0.326 -3.849 -24.015 1.00 0.00 C ATOM 1577 CG LEU A 101 -1.840 -4.117 -24.107 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -2.630 -3.170 -23.196 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -2.457 -4.055 -25.495 1.00 0.00 C ATOM 0 H LEU A 101 -0.870 -2.247 -25.971 1.00 0.00 H new ATOM 0 HA LEU A 101 1.531 -3.500 -24.896 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.112 -4.681 -23.464 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.197 -2.957 -23.402 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.917 -5.155 -23.784 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.695 -3.385 -23.284 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.315 -3.313 -22.162 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.442 -2.138 -23.493 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.525 -4.261 -25.428 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.305 -3.062 -25.917 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.984 -4.798 -26.137 1.00 0.00 H new