USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 652 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 102 ASN : amide:sc= -0.902! C(o=1.4!,f=-2.2!) USER MOD Set 1.2: A 104 SER OG : rot 150:sc= 0.391 USER MOD Set 1.3: A 108 SER OG : rot -62:sc= 1.95 USER MOD Set 2.1: A 99 LYS NZ :NH3+ 155:sc= 2.42 (180deg=0.484) USER MOD Set 2.2: A 101 LYS NZ :NH3+ 166:sc= 1.65 (180deg=0.824!) USER MOD Set 3.1: A 22 THR OG1 : rot 74:sc= 0.494 USER MOD Set 3.2: A 109 ASN : amide:sc= 0.0287 X(o=0.92,f=0.88) USER MOD Set 3.3: A 111 SER OG : rot 180:sc= 0.394 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -5:sc= 0.751 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 51 HIS : no HE2:sc= 0.514 K(o=0.51,f=-5.9!) USER MOD Single : A 52 SER OG : rot -88:sc= -0.223 USER MOD Single : A 53 THR OG1 : rot -59:sc= 1.06 USER MOD Single : A 54 ASN : amide:sc= -3.5! C(o=-3.5!,f=-4.1!) USER MOD Single : A 56 ASN : amide:sc=-0.000127 X(o=-0.00013,f=0) USER MOD Single : A 59 MET CE :methyl 173:sc= -2.01 (180deg=-2.24) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.0261 X(o=0.026,f=-0.066) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -5.56! C(o=-5.6!,f=-6.9!) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= -0.223 (180deg=-0.29) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -121:sc= 1.23 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 123:sc= 0.564 USER MOD Single : A 92 SER OG : rot 180:sc= 0.171 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.225 K(o=0.22,f=-2.3!) USER MOD Single : A 105 SER OG : rot 180:sc= 0.053 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -60:sc= 0.407 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -3.770 -4.506 -1.071 1.00 0.00 N ATOM 92 CA ALA A 19 -2.504 -4.540 -1.756 1.00 0.00 C ATOM 93 C ALA A 19 -1.819 -5.835 -1.366 1.00 0.00 C ATOM 94 O ALA A 19 -1.015 -5.858 -0.438 1.00 0.00 O ATOM 95 CB ALA A 19 -1.649 -3.333 -1.395 1.00 0.00 C ATOM 0 HA ALA A 19 -2.653 -4.498 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.700 -3.387 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.172 -2.419 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.462 -3.327 -0.321 1.00 0.00 H new ATOM 101 N THR A 20 -2.191 -6.920 -2.023 1.00 0.00 N ATOM 102 CA THR A 20 -1.645 -8.221 -1.695 1.00 0.00 C ATOM 103 C THR A 20 -0.439 -8.521 -2.576 1.00 0.00 C ATOM 104 O THR A 20 -0.590 -8.942 -3.722 1.00 0.00 O ATOM 105 CB THR A 20 -2.709 -9.322 -1.875 1.00 0.00 C ATOM 106 OG1 THR A 20 -3.829 -8.814 -2.620 1.00 0.00 O ATOM 107 CG2 THR A 20 -3.187 -9.833 -0.526 1.00 0.00 C ATOM 0 H THR A 20 -2.868 -6.924 -2.786 1.00 0.00 H new ATOM 0 HA THR A 20 -1.333 -8.206 -0.651 1.00 0.00 H new ATOM 0 HB THR A 20 -2.254 -10.147 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.497 -9.522 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.937 -10.609 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.343 -10.246 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.624 -9.011 0.041 1.00 0.00 H new ATOM 115 N TYR A 21 0.757 -8.302 -2.045 1.00 0.00 N ATOM 116 CA TYR A 21 1.976 -8.465 -2.828 1.00 0.00 C ATOM 117 C TYR A 21 3.105 -9.008 -1.972 1.00 0.00 C ATOM 118 O TYR A 21 3.180 -8.723 -0.780 1.00 0.00 O ATOM 119 CB TYR A 21 2.402 -7.125 -3.436 1.00 0.00 C ATOM 120 CG TYR A 21 1.420 -6.570 -4.439 1.00 0.00 C ATOM 121 CD1 TYR A 21 1.319 -7.113 -5.712 1.00 0.00 C ATOM 122 CD2 TYR A 21 0.588 -5.508 -4.108 1.00 0.00 C ATOM 123 CE1 TYR A 21 0.416 -6.615 -6.628 1.00 0.00 C ATOM 124 CE2 TYR A 21 -0.316 -5.003 -5.018 1.00 0.00 C ATOM 125 CZ TYR A 21 -0.399 -5.561 -6.277 1.00 0.00 C ATOM 126 OH TYR A 21 -1.302 -5.064 -7.187 1.00 0.00 O ATOM 0 H TYR A 21 0.909 -8.012 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 21 1.765 -9.177 -3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.537 -6.399 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.371 -7.248 -3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.957 -7.939 -5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.650 -5.071 -3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.348 -7.049 -7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.955 -4.176 -4.747 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.800 -4.323 -6.782 1.00 0.00 H new ATOM 136 N THR A 22 3.981 -9.781 -2.592 1.00 0.00 N ATOM 137 CA THR A 22 5.156 -10.302 -1.918 1.00 0.00 C ATOM 138 C THR A 22 6.343 -10.315 -2.886 1.00 0.00 C ATOM 139 O THR A 22 7.139 -11.258 -2.934 1.00 0.00 O ATOM 140 CB THR A 22 4.894 -11.708 -1.319 1.00 0.00 C ATOM 141 OG1 THR A 22 6.000 -12.119 -0.500 1.00 0.00 O ATOM 142 CG2 THR A 22 4.633 -12.746 -2.405 1.00 0.00 C ATOM 0 H THR A 22 3.898 -10.063 -3.569 1.00 0.00 H new ATOM 0 HA THR A 22 5.396 -9.646 -1.081 1.00 0.00 H new ATOM 0 HB THR A 22 3.998 -11.638 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.984 -11.623 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.454 -13.718 -1.944 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.758 -12.453 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.500 -12.810 -3.063 1.00 0.00 H new ATOM 150 N GLY A 23 6.450 -9.242 -3.659 1.00 0.00 N ATOM 151 CA GLY A 23 7.496 -9.130 -4.656 1.00 0.00 C ATOM 152 C GLY A 23 8.766 -8.513 -4.106 1.00 0.00 C ATOM 153 O GLY A 23 8.858 -8.208 -2.916 1.00 0.00 O ATOM 0 H GLY A 23 5.823 -8.439 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.721 -10.120 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.135 -8.526 -5.489 1.00 0.00 H new ATOM 157 N THR A 24 9.745 -8.323 -4.974 1.00 0.00 N ATOM 158 CA THR A 24 11.011 -7.738 -4.576 1.00 0.00 C ATOM 159 C THR A 24 11.117 -6.286 -5.037 1.00 0.00 C ATOM 160 O THR A 24 10.678 -5.941 -6.138 1.00 0.00 O ATOM 161 CB THR A 24 12.188 -8.544 -5.147 1.00 0.00 C ATOM 162 OG1 THR A 24 11.697 -9.704 -5.833 1.00 0.00 O ATOM 163 CG2 THR A 24 13.137 -8.971 -4.041 1.00 0.00 C ATOM 0 H THR A 24 9.685 -8.567 -5.963 1.00 0.00 H new ATOM 0 HA THR A 24 11.054 -7.764 -3.487 1.00 0.00 H new ATOM 0 HB THR A 24 12.732 -7.908 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.452 -10.213 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.962 -9.540 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.529 -8.088 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.602 -9.592 -3.322 1.00 0.00 H new ATOM 171 N ILE A 25 11.683 -5.437 -4.190 1.00 0.00 N ATOM 172 CA ILE A 25 11.865 -4.035 -4.521 1.00 0.00 C ATOM 173 C ILE A 25 13.346 -3.666 -4.481 1.00 0.00 C ATOM 174 O ILE A 25 14.129 -4.271 -3.737 1.00 0.00 O ATOM 175 CB ILE A 25 11.066 -3.116 -3.565 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.040 -1.681 -4.103 1.00 0.00 C ATOM 177 CG2 ILE A 25 11.644 -3.160 -2.156 1.00 0.00 C ATOM 178 CD1 ILE A 25 10.551 -0.658 -3.102 1.00 0.00 C ATOM 0 H ILE A 25 12.025 -5.699 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 25 11.484 -3.884 -5.531 1.00 0.00 H new ATOM 0 HB ILE A 25 10.041 -3.482 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.044 -1.407 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.400 -1.646 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.065 -2.506 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.601 -4.181 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.681 -2.825 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.562 0.332 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.534 -0.905 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.204 -0.662 -2.229 1.00 0.00 H new ATOM 190 N GLN A 26 13.728 -2.681 -5.288 1.00 0.00 N ATOM 191 CA GLN A 26 15.106 -2.223 -5.337 1.00 0.00 C ATOM 192 C GLN A 26 15.481 -1.563 -4.019 1.00 0.00 C ATOM 193 O GLN A 26 14.618 -1.031 -3.318 1.00 0.00 O ATOM 194 CB GLN A 26 15.299 -1.236 -6.490 1.00 0.00 C ATOM 195 CG GLN A 26 14.627 -1.669 -7.785 1.00 0.00 C ATOM 196 CD GLN A 26 15.552 -1.569 -8.982 1.00 0.00 C ATOM 197 OE1 GLN A 26 15.454 -0.639 -9.781 1.00 0.00 O ATOM 198 NE2 GLN A 26 16.457 -2.528 -9.114 1.00 0.00 N ATOM 0 H GLN A 26 13.097 -2.185 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 26 15.755 -3.083 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.905 -0.264 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.366 -1.106 -6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.279 -2.697 -7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.746 -1.050 -7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.505 -3.282 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.106 -2.512 -9.901 1.00 0.00 H new ATOM 207 N GLY A 27 16.760 -1.595 -3.693 1.00 0.00 N ATOM 208 CA GLY A 27 17.219 -1.054 -2.432 1.00 0.00 C ATOM 209 C GLY A 27 17.057 0.449 -2.361 1.00 0.00 C ATOM 210 O GLY A 27 16.745 1.001 -1.312 1.00 0.00 O ATOM 0 H GLY A 27 17.494 -1.988 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.663 -1.516 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.268 -1.312 -2.289 1.00 0.00 H new ATOM 214 N LYS A 28 17.253 1.113 -3.487 1.00 0.00 N ATOM 215 CA LYS A 28 17.143 2.560 -3.542 1.00 0.00 C ATOM 216 C LYS A 28 16.007 2.959 -4.466 1.00 0.00 C ATOM 217 O LYS A 28 16.133 3.880 -5.272 1.00 0.00 O ATOM 218 CB LYS A 28 18.462 3.178 -4.014 1.00 0.00 C ATOM 219 CG LYS A 28 18.987 4.271 -3.096 1.00 0.00 C ATOM 220 CD LYS A 28 19.431 3.713 -1.755 1.00 0.00 C ATOM 221 CE LYS A 28 20.652 4.446 -1.226 1.00 0.00 C ATOM 222 NZ LYS A 28 20.288 5.504 -0.246 1.00 0.00 N ATOM 0 H LYS A 28 17.489 0.673 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 28 16.928 2.935 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.213 2.392 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.323 3.591 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.825 4.777 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.210 5.019 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.615 3.796 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.658 2.652 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.327 3.732 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.194 4.895 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.151 5.978 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.665 6.200 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.794 5.074 0.562 1.00 0.00 H new ATOM 236 N GLY A 29 14.897 2.249 -4.346 1.00 0.00 N ATOM 237 CA GLY A 29 13.755 2.512 -5.190 1.00 0.00 C ATOM 238 C GLY A 29 12.506 2.808 -4.391 1.00 0.00 C ATOM 239 O GLY A 29 12.422 2.481 -3.204 1.00 0.00 O ATOM 0 H GLY A 29 14.768 1.492 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.975 3.357 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.576 1.651 -5.834 1.00 0.00 H new ATOM 243 N GLU A 30 11.541 3.430 -5.046 1.00 0.00 N ATOM 244 CA GLU A 30 10.258 3.743 -4.434 1.00 0.00 C ATOM 245 C GLU A 30 9.161 3.605 -5.477 1.00 0.00 C ATOM 246 O GLU A 30 9.274 4.144 -6.576 1.00 0.00 O ATOM 247 CB GLU A 30 10.246 5.158 -3.842 1.00 0.00 C ATOM 248 CG GLU A 30 11.133 6.153 -4.577 1.00 0.00 C ATOM 249 CD GLU A 30 11.386 7.414 -3.774 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.527 7.788 -2.946 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.449 8.040 -3.967 1.00 0.00 O ATOM 0 H GLU A 30 11.623 3.733 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 30 10.086 3.043 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.222 5.531 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.564 5.106 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.086 5.679 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.666 6.418 -5.526 1.00 0.00 H new ATOM 258 N VAL A 31 8.117 2.866 -5.140 1.00 0.00 N ATOM 259 CA VAL A 31 7.051 2.576 -6.089 1.00 0.00 C ATOM 260 C VAL A 31 5.684 2.756 -5.445 1.00 0.00 C ATOM 261 O VAL A 31 5.434 2.284 -4.330 1.00 0.00 O ATOM 262 CB VAL A 31 7.198 1.137 -6.668 1.00 0.00 C ATOM 263 CG1 VAL A 31 7.962 0.239 -5.705 1.00 0.00 C ATOM 264 CG2 VAL A 31 5.848 0.509 -7.005 1.00 0.00 C ATOM 0 H VAL A 31 7.983 2.455 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 31 7.135 3.286 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 31 7.763 1.229 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.051 -0.760 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.957 0.651 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.426 0.182 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.003 -0.493 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.239 0.450 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.337 1.121 -7.748 1.00 0.00 H new ATOM 274 N CYS A 32 4.821 3.468 -6.150 1.00 0.00 N ATOM 275 CA CYS A 32 3.466 3.715 -5.697 1.00 0.00 C ATOM 276 C CYS A 32 2.559 2.533 -6.048 1.00 0.00 C ATOM 277 O CYS A 32 2.560 2.046 -7.181 1.00 0.00 O ATOM 278 CB CYS A 32 2.942 5.023 -6.315 1.00 0.00 C ATOM 279 SG CYS A 32 1.947 4.824 -7.838 1.00 0.00 S ATOM 0 H CYS A 32 5.042 3.890 -7.052 1.00 0.00 H new ATOM 0 HA CYS A 32 3.464 3.821 -4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.337 5.541 -5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.793 5.667 -6.538 1.00 0.00 H new ATOM 0 HG CYS A 32 1.946 3.574 -8.196 1.00 0.00 H new ATOM 284 N ILE A 33 1.821 2.045 -5.061 1.00 0.00 N ATOM 285 CA ILE A 33 0.880 0.956 -5.276 1.00 0.00 C ATOM 286 C ILE A 33 -0.494 1.339 -4.735 1.00 0.00 C ATOM 287 O ILE A 33 -0.645 1.620 -3.545 1.00 0.00 O ATOM 288 CB ILE A 33 1.365 -0.352 -4.602 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.533 -0.955 -5.391 1.00 0.00 C ATOM 290 CG2 ILE A 33 0.229 -1.363 -4.481 1.00 0.00 C ATOM 291 CD1 ILE A 33 3.514 -1.718 -4.531 1.00 0.00 C ATOM 0 H ILE A 33 1.856 2.388 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 33 0.812 0.778 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 33 1.707 -0.107 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.137 -1.623 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.062 -0.155 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.599 -2.271 -4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.574 -0.938 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.151 -1.604 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.313 -2.116 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.938 -1.049 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.999 -2.540 -4.033 1.00 0.00 H new ATOM 476 N LEU A 46 -8.031 2.843 5.761 1.00 0.00 N ATOM 477 CA LEU A 46 -6.622 3.175 5.593 1.00 0.00 C ATOM 478 C LEU A 46 -5.749 2.300 6.490 1.00 0.00 C ATOM 479 O LEU A 46 -5.268 2.740 7.537 1.00 0.00 O ATOM 480 CB LEU A 46 -6.383 4.657 5.901 1.00 0.00 C ATOM 481 CG LEU A 46 -6.397 5.606 4.691 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.479 4.839 3.378 1.00 0.00 C ATOM 483 CD2 LEU A 46 -7.555 6.582 4.798 1.00 0.00 C ATOM 0 HA LEU A 46 -6.347 2.984 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.144 4.989 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.420 4.753 6.402 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.459 6.161 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.487 5.543 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.616 4.179 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.393 4.245 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.551 7.247 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.494 6.030 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.452 7.171 5.710 1.00 0.00 H new ATOM 495 N TYR A 47 -5.560 1.057 6.076 1.00 0.00 N ATOM 496 CA TYR A 47 -4.732 0.117 6.813 1.00 0.00 C ATOM 497 C TYR A 47 -4.052 -0.845 5.846 1.00 0.00 C ATOM 498 O TYR A 47 -4.706 -1.452 4.997 1.00 0.00 O ATOM 499 CB TYR A 47 -5.579 -0.653 7.845 1.00 0.00 C ATOM 500 CG TYR A 47 -4.851 -1.766 8.584 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.567 -2.980 7.963 1.00 0.00 C ATOM 502 CD2 TYR A 47 -4.460 -1.607 9.908 1.00 0.00 C ATOM 503 CE1 TYR A 47 -3.917 -3.996 8.633 1.00 0.00 C ATOM 504 CE2 TYR A 47 -3.807 -2.620 10.586 1.00 0.00 C ATOM 505 CZ TYR A 47 -3.537 -3.813 9.942 1.00 0.00 C ATOM 506 OH TYR A 47 -2.890 -4.826 10.609 1.00 0.00 O ATOM 0 H TYR A 47 -5.973 0.674 5.226 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.963 0.670 7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.962 0.057 8.578 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.442 -1.082 7.335 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.862 -3.129 6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.670 -0.677 10.416 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.708 -4.930 8.132 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.509 -2.480 11.615 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.688 -4.539 11.524 1.00 0.00 H new ATOM 516 N ALA A 48 -2.740 -0.953 5.967 1.00 0.00 N ATOM 517 CA ALA A 48 -1.961 -1.897 5.180 1.00 0.00 C ATOM 518 C ALA A 48 -0.677 -2.249 5.915 1.00 0.00 C ATOM 519 O ALA A 48 0.131 -1.366 6.223 1.00 0.00 O ATOM 520 CB ALA A 48 -1.647 -1.321 3.805 1.00 0.00 C ATOM 0 H ALA A 48 -2.185 -0.391 6.612 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.549 -2.804 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.064 -2.043 3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.577 -1.107 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.075 -0.400 3.918 1.00 0.00 H new ATOM 526 N VAL A 49 -0.481 -3.520 6.226 1.00 0.00 N ATOM 527 CA VAL A 49 0.742 -3.924 6.899 1.00 0.00 C ATOM 528 C VAL A 49 1.815 -4.269 5.880 1.00 0.00 C ATOM 529 O VAL A 49 1.624 -5.117 5.012 1.00 0.00 O ATOM 530 CB VAL A 49 0.551 -5.106 7.885 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.202 -6.256 7.240 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.901 -5.580 8.422 1.00 0.00 C ATOM 0 H VAL A 49 -1.137 -4.275 6.028 1.00 0.00 H new ATOM 0 HA VAL A 49 1.053 -3.068 7.498 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.050 -4.746 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.317 -7.066 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.186 -5.913 6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.355 -6.616 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.747 -6.410 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.527 -5.909 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.393 -4.760 8.945 1.00 0.00 H new ATOM 542 N LEU A 50 2.934 -3.581 5.981 1.00 0.00 N ATOM 543 CA LEU A 50 4.059 -3.835 5.111 1.00 0.00 C ATOM 544 C LEU A 50 5.022 -4.755 5.827 1.00 0.00 C ATOM 545 O LEU A 50 5.643 -4.354 6.810 1.00 0.00 O ATOM 546 CB LEU A 50 4.759 -2.525 4.734 1.00 0.00 C ATOM 547 CG LEU A 50 6.191 -2.679 4.214 1.00 0.00 C ATOM 548 CD1 LEU A 50 6.233 -2.502 2.706 1.00 0.00 C ATOM 549 CD2 LEU A 50 7.115 -1.684 4.895 1.00 0.00 C ATOM 0 H LEU A 50 3.087 -2.837 6.662 1.00 0.00 H new ATOM 0 HA LEU A 50 3.710 -4.303 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.165 -2.020 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.775 -1.875 5.609 1.00 0.00 H new ATOM 0 HG LEU A 50 6.536 -3.685 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.259 -2.615 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.603 -3.255 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.868 -1.508 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.128 -1.808 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.772 -0.670 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.109 -1.859 5.971 1.00 0.00 H new ATOM 561 N HIS A 51 5.098 -5.996 5.379 1.00 0.00 N ATOM 562 CA HIS A 51 6.024 -6.944 5.966 1.00 0.00 C ATOM 563 C HIS A 51 7.363 -6.858 5.273 1.00 0.00 C ATOM 564 O HIS A 51 7.446 -6.881 4.044 1.00 0.00 O ATOM 565 CB HIS A 51 5.480 -8.364 5.891 1.00 0.00 C ATOM 566 CG HIS A 51 4.740 -8.776 7.121 1.00 0.00 C ATOM 567 ND1 HIS A 51 5.295 -8.750 8.380 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.468 -9.201 7.282 1.00 0.00 C ATOM 569 CE1 HIS A 51 4.399 -9.146 9.260 1.00 0.00 C ATOM 570 NE2 HIS A 51 3.279 -9.426 8.623 1.00 0.00 N ATOM 0 H HIS A 51 4.533 -6.368 4.615 1.00 0.00 H new ATOM 0 HA HIS A 51 6.150 -6.689 7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.816 -8.447 5.030 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.307 -9.055 5.724 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.251 -8.468 8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.735 -9.338 6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.555 -9.228 10.325 1.00 0.00 H new ATOM 579 N SER A 52 8.401 -6.765 6.066 1.00 0.00 N ATOM 580 CA SER A 52 9.738 -6.580 5.547 1.00 0.00 C ATOM 581 C SER A 52 10.589 -7.807 5.845 1.00 0.00 C ATOM 582 O SER A 52 11.494 -7.776 6.680 1.00 0.00 O ATOM 583 CB SER A 52 10.338 -5.317 6.152 1.00 0.00 C ATOM 584 OG SER A 52 9.360 -4.293 6.229 1.00 0.00 O ATOM 0 H SER A 52 8.347 -6.815 7.083 1.00 0.00 H new ATOM 0 HA SER A 52 9.706 -6.461 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.727 -5.532 7.147 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.179 -4.980 5.546 1.00 0.00 H new ATOM 0 HG SER A 52 9.354 -3.783 5.392 1.00 0.00 H new ATOM 590 N THR A 53 10.287 -8.883 5.138 1.00 0.00 N ATOM 591 CA THR A 53 10.897 -10.179 5.386 1.00 0.00 C ATOM 592 C THR A 53 12.247 -10.308 4.664 1.00 0.00 C ATOM 593 O THR A 53 12.443 -11.182 3.819 1.00 0.00 O ATOM 594 CB THR A 53 9.922 -11.311 4.959 1.00 0.00 C ATOM 595 OG1 THR A 53 10.590 -12.578 4.880 1.00 0.00 O ATOM 596 CG2 THR A 53 9.269 -10.989 3.620 1.00 0.00 C ATOM 0 H THR A 53 9.611 -8.883 4.374 1.00 0.00 H new ATOM 0 HA THR A 53 11.094 -10.271 6.454 1.00 0.00 H new ATOM 0 HB THR A 53 9.149 -11.377 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.321 -12.523 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.591 -11.796 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.709 -10.057 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.039 -10.883 2.856 1.00 0.00 H new ATOM 604 N ASN A 54 13.173 -9.422 5.002 1.00 0.00 N ATOM 605 CA ASN A 54 14.526 -9.472 4.470 1.00 0.00 C ATOM 606 C ASN A 54 15.511 -9.141 5.581 1.00 0.00 C ATOM 607 O ASN A 54 15.107 -8.993 6.735 1.00 0.00 O ATOM 608 CB ASN A 54 14.685 -8.485 3.310 1.00 0.00 C ATOM 609 CG ASN A 54 14.706 -9.170 1.960 1.00 0.00 C ATOM 610 OD1 ASN A 54 13.869 -10.019 1.662 1.00 0.00 O ATOM 611 ND2 ASN A 54 15.642 -8.784 1.116 1.00 0.00 N ATOM 0 H ASN A 54 13.008 -8.652 5.650 1.00 0.00 H new ATOM 0 HA ASN A 54 14.726 -10.474 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.866 -7.766 3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.609 -7.922 3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.687 -9.193 0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.321 -8.077 1.396 1.00 0.00 H new ATOM 618 N VAL A 55 16.787 -9.018 5.240 1.00 0.00 N ATOM 619 CA VAL A 55 17.804 -8.668 6.226 1.00 0.00 C ATOM 620 C VAL A 55 17.697 -7.200 6.589 1.00 0.00 C ATOM 621 O VAL A 55 17.175 -6.842 7.644 1.00 0.00 O ATOM 622 CB VAL A 55 19.232 -8.929 5.713 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.179 -9.143 6.881 1.00 0.00 C ATOM 624 CG2 VAL A 55 19.266 -10.126 4.772 1.00 0.00 C ATOM 0 H VAL A 55 17.142 -9.154 4.294 1.00 0.00 H new ATOM 0 HA VAL A 55 17.623 -9.300 7.096 1.00 0.00 H new ATOM 0 HB VAL A 55 19.558 -8.053 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.185 -9.327 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.184 -8.255 7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.848 -10.002 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 55 20.287 -10.287 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.918 -11.014 5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.618 -9.935 3.917 1.00 0.00 H new ATOM 634 N ASN A 56 18.176 -6.354 5.694 1.00 0.00 N ATOM 635 CA ASN A 56 18.146 -4.922 5.915 1.00 0.00 C ATOM 636 C ASN A 56 16.999 -4.314 5.141 1.00 0.00 C ATOM 637 O ASN A 56 17.182 -3.365 4.386 1.00 0.00 O ATOM 638 CB ASN A 56 19.462 -4.268 5.489 1.00 0.00 C ATOM 639 CG ASN A 56 19.926 -3.230 6.488 1.00 0.00 C ATOM 640 OD1 ASN A 56 20.917 -3.416 7.193 1.00 0.00 O ATOM 641 ND2 ASN A 56 19.211 -2.124 6.551 1.00 0.00 N ATOM 0 H ASN A 56 18.591 -6.636 4.806 1.00 0.00 H new ATOM 0 HA ASN A 56 18.008 -4.743 6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 56 20.229 -5.034 5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.336 -3.801 4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 56 19.473 -1.384 7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.396 -2.009 5.949 1.00 0.00 H new ATOM 648 N ALA A 57 15.813 -4.871 5.329 1.00 0.00 N ATOM 649 CA ALA A 57 14.631 -4.417 4.617 1.00 0.00 C ATOM 650 C ALA A 57 14.136 -3.089 5.180 1.00 0.00 C ATOM 651 O ALA A 57 13.053 -3.003 5.760 1.00 0.00 O ATOM 652 CB ALA A 57 13.543 -5.473 4.681 1.00 0.00 C ATOM 0 H ALA A 57 15.644 -5.643 5.973 1.00 0.00 H new ATOM 0 HA ALA A 57 14.895 -4.257 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.662 -5.121 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.903 -6.394 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.281 -5.663 5.722 1.00 0.00 H new ATOM 658 N ASP A 58 14.944 -2.061 4.994 1.00 0.00 N ATOM 659 CA ASP A 58 14.648 -0.725 5.494 1.00 0.00 C ATOM 660 C ASP A 58 13.731 0.005 4.525 1.00 0.00 C ATOM 661 O ASP A 58 14.152 0.916 3.822 1.00 0.00 O ATOM 662 CB ASP A 58 15.950 0.064 5.671 1.00 0.00 C ATOM 663 CG ASP A 58 15.837 1.198 6.679 1.00 0.00 C ATOM 664 OD1 ASP A 58 15.175 2.214 6.387 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.439 1.089 7.769 1.00 0.00 O ATOM 0 H ASP A 58 15.828 -2.127 4.490 1.00 0.00 H new ATOM 0 HA ASP A 58 14.147 -0.812 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.739 -0.618 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.252 0.473 4.707 1.00 0.00 H new ATOM 670 N MET A 59 12.479 -0.405 4.474 1.00 0.00 N ATOM 671 CA MET A 59 11.528 0.230 3.581 1.00 0.00 C ATOM 672 C MET A 59 10.554 1.071 4.374 1.00 0.00 C ATOM 673 O MET A 59 9.875 0.578 5.273 1.00 0.00 O ATOM 674 CB MET A 59 10.755 -0.800 2.752 1.00 0.00 C ATOM 675 CG MET A 59 11.393 -2.177 2.715 1.00 0.00 C ATOM 676 SD MET A 59 10.254 -3.475 3.234 1.00 0.00 S ATOM 677 CE MET A 59 10.749 -4.802 2.141 1.00 0.00 C ATOM 0 H MET A 59 12.098 -1.168 5.034 1.00 0.00 H new ATOM 0 HA MET A 59 12.092 0.863 2.896 1.00 0.00 H new ATOM 0 HB2 MET A 59 9.746 -0.890 3.155 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.659 -0.429 1.731 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.742 -2.386 1.704 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.270 -2.186 3.363 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.225 -5.717 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.500 -4.539 1.113 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.824 -4.960 2.225 1.00 0.00 H new ATOM 687 N THR A 60 10.473 2.335 4.026 1.00 0.00 N ATOM 688 CA THR A 60 9.565 3.235 4.690 1.00 0.00 C ATOM 689 C THR A 60 8.218 3.212 3.991 1.00 0.00 C ATOM 690 O THR A 60 8.097 3.602 2.824 1.00 0.00 O ATOM 691 CB THR A 60 10.114 4.671 4.713 1.00 0.00 C ATOM 692 OG1 THR A 60 11.546 4.650 4.603 1.00 0.00 O ATOM 693 CG2 THR A 60 9.714 5.380 5.997 1.00 0.00 C ATOM 0 H THR A 60 11.028 2.762 3.284 1.00 0.00 H new ATOM 0 HA THR A 60 9.451 2.900 5.721 1.00 0.00 H new ATOM 0 HB THR A 60 9.691 5.213 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.889 5.568 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.113 6.394 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.627 5.418 6.068 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.115 4.837 6.853 1.00 0.00 H new ATOM 701 N LEU A 61 7.216 2.721 4.699 1.00 0.00 N ATOM 702 CA LEU A 61 5.875 2.653 4.158 1.00 0.00 C ATOM 703 C LEU A 61 5.196 3.991 4.340 1.00 0.00 C ATOM 704 O LEU A 61 4.780 4.344 5.445 1.00 0.00 O ATOM 705 CB LEU A 61 5.065 1.554 4.848 1.00 0.00 C ATOM 706 CG LEU A 61 3.928 0.946 4.017 1.00 0.00 C ATOM 707 CD1 LEU A 61 2.659 1.778 4.134 1.00 0.00 C ATOM 708 CD2 LEU A 61 4.339 0.805 2.559 1.00 0.00 C ATOM 0 H LEU A 61 7.308 2.364 5.650 1.00 0.00 H new ATOM 0 HA LEU A 61 5.934 2.413 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.746 0.754 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.642 1.962 5.766 1.00 0.00 H new ATOM 0 HG LEU A 61 3.721 -0.048 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.870 1.324 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.345 1.818 5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.852 2.789 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.517 0.372 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.584 1.787 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.211 0.155 2.488 1.00 0.00 H new ATOM 720 N ILE A 62 5.089 4.735 3.260 1.00 0.00 N ATOM 721 CA ILE A 62 4.535 6.066 3.322 1.00 0.00 C ATOM 722 C ILE A 62 3.260 6.164 2.492 1.00 0.00 C ATOM 723 O ILE A 62 3.203 5.705 1.349 1.00 0.00 O ATOM 724 CB ILE A 62 5.576 7.127 2.884 1.00 0.00 C ATOM 725 CG1 ILE A 62 4.929 8.503 2.721 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.284 6.709 1.603 1.00 0.00 C ATOM 727 CD1 ILE A 62 5.434 9.525 3.713 1.00 0.00 C ATOM 0 H ILE A 62 5.379 4.438 2.328 1.00 0.00 H new ATOM 0 HA ILE A 62 4.273 6.273 4.360 1.00 0.00 H new ATOM 0 HB ILE A 62 6.324 7.198 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.115 8.866 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.849 8.404 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.008 7.474 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.800 5.763 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.552 6.591 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.933 10.478 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.224 9.183 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.509 9.653 3.588 1.00 0.00 H new ATOM 739 N LEU A 63 2.227 6.716 3.109 1.00 0.00 N ATOM 740 CA LEU A 63 0.960 6.961 2.442 1.00 0.00 C ATOM 741 C LEU A 63 1.027 8.296 1.714 1.00 0.00 C ATOM 742 O LEU A 63 1.252 9.337 2.335 1.00 0.00 O ATOM 743 CB LEU A 63 -0.182 6.974 3.470 1.00 0.00 C ATOM 744 CG LEU A 63 -1.425 6.151 3.110 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.642 6.675 3.854 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.677 6.169 1.614 1.00 0.00 C ATOM 0 H LEU A 63 2.244 7.007 4.087 1.00 0.00 H new ATOM 0 HA LEU A 63 0.768 6.166 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.208 6.609 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.489 8.008 3.628 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.244 5.119 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.516 6.080 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.470 6.605 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.815 7.716 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.564 5.578 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.831 7.196 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.817 5.746 1.095 1.00 0.00 H new ATOM 758 N LEU A 64 0.859 8.264 0.404 1.00 0.00 N ATOM 759 CA LEU A 64 0.950 9.470 -0.401 1.00 0.00 C ATOM 760 C LEU A 64 -0.376 9.772 -1.063 1.00 0.00 C ATOM 761 O LEU A 64 -1.112 8.862 -1.437 1.00 0.00 O ATOM 762 CB LEU A 64 2.037 9.325 -1.470 1.00 0.00 C ATOM 763 CG LEU A 64 3.465 9.405 -0.942 1.00 0.00 C ATOM 764 CD1 LEU A 64 3.964 8.030 -0.562 1.00 0.00 C ATOM 765 CD2 LEU A 64 4.395 10.026 -1.964 1.00 0.00 C ATOM 0 H LEU A 64 0.659 7.416 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 64 1.211 10.295 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.904 8.369 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.897 10.104 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 64 3.456 10.041 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.985 8.104 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.322 7.611 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.945 7.381 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.406 10.069 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.394 9.422 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.055 11.035 -2.199 1.00 0.00 H new ATOM 777 N ARG A 65 -0.684 11.047 -1.201 1.00 0.00 N ATOM 778 CA ARG A 65 -1.880 11.451 -1.907 1.00 0.00 C ATOM 779 C ARG A 65 -1.596 12.681 -2.757 1.00 0.00 C ATOM 780 O ARG A 65 -1.382 13.780 -2.249 1.00 0.00 O ATOM 781 CB ARG A 65 -3.042 11.701 -0.936 1.00 0.00 C ATOM 782 CG ARG A 65 -2.746 12.706 0.166 1.00 0.00 C ATOM 783 CD ARG A 65 -3.703 13.887 0.102 1.00 0.00 C ATOM 784 NE ARG A 65 -3.996 14.436 1.422 1.00 0.00 N ATOM 785 CZ ARG A 65 -4.299 15.715 1.644 1.00 0.00 C ATOM 786 NH1 ARG A 65 -4.356 16.576 0.635 1.00 0.00 N ATOM 787 NH2 ARG A 65 -4.557 16.121 2.877 1.00 0.00 N ATOM 0 H ARG A 65 -0.124 11.817 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.181 10.638 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.904 12.050 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.325 10.753 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.828 12.219 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.719 13.060 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.272 14.667 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.633 13.573 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.967 13.804 2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.167 16.260 -0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.588 17.553 0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.523 15.457 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.790 17.098 3.054 1.00 0.00 H new ATOM 801 N ASN A 66 -1.552 12.467 -4.054 1.00 0.00 N ATOM 802 CA ASN A 66 -1.337 13.534 -5.014 1.00 0.00 C ATOM 803 C ASN A 66 -2.365 13.405 -6.115 1.00 0.00 C ATOM 804 O ASN A 66 -2.768 12.292 -6.454 1.00 0.00 O ATOM 805 CB ASN A 66 0.084 13.466 -5.593 1.00 0.00 C ATOM 806 CG ASN A 66 0.135 13.662 -7.105 1.00 0.00 C ATOM 807 OD1 ASN A 66 0.140 14.789 -7.598 1.00 0.00 O ATOM 808 ND2 ASN A 66 0.189 12.564 -7.848 1.00 0.00 N ATOM 0 H ASN A 66 -1.664 11.545 -4.477 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.445 14.499 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.699 14.228 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.523 12.500 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.237 12.638 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.183 11.646 -7.403 1.00 0.00 H new ATOM 815 N VAL A 67 -2.800 14.517 -6.665 1.00 0.00 N ATOM 816 CA VAL A 67 -3.739 14.467 -7.758 1.00 0.00 C ATOM 817 C VAL A 67 -3.690 15.746 -8.585 1.00 0.00 C ATOM 818 O VAL A 67 -3.495 16.843 -8.057 1.00 0.00 O ATOM 819 CB VAL A 67 -5.163 14.172 -7.240 1.00 0.00 C ATOM 820 CG1 VAL A 67 -5.850 15.429 -6.728 1.00 0.00 C ATOM 821 CG2 VAL A 67 -5.994 13.498 -8.318 1.00 0.00 C ATOM 0 H VAL A 67 -2.522 15.455 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.453 13.648 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.072 13.489 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.849 15.178 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.269 15.853 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.924 16.158 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.994 13.298 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.063 14.153 -9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.522 12.559 -8.608 1.00 0.00 H new ATOM 831 N GLY A 68 -3.848 15.581 -9.886 1.00 0.00 N ATOM 832 CA GLY A 68 -3.677 16.672 -10.814 1.00 0.00 C ATOM 833 C GLY A 68 -2.770 16.259 -11.949 1.00 0.00 C ATOM 834 O GLY A 68 -3.173 16.254 -13.111 1.00 0.00 O ATOM 0 H GLY A 68 -4.096 14.693 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.646 16.979 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.255 17.534 -10.298 1.00 0.00 H new ATOM 838 N GLY A 69 -1.544 15.892 -11.605 1.00 0.00 N ATOM 839 CA GLY A 69 -0.627 15.362 -12.590 1.00 0.00 C ATOM 840 C GLY A 69 0.756 15.959 -12.466 1.00 0.00 C ATOM 841 O GLY A 69 1.102 16.890 -13.196 1.00 0.00 O ATOM 0 H GLY A 69 -1.168 15.953 -10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.564 14.279 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.017 15.558 -13.589 1.00 0.00 H new ATOM 845 N ASN A 70 1.549 15.440 -11.537 1.00 0.00 N ATOM 846 CA ASN A 70 2.915 15.922 -11.355 1.00 0.00 C ATOM 847 C ASN A 70 3.765 14.922 -10.588 1.00 0.00 C ATOM 848 O ASN A 70 4.815 14.502 -11.069 1.00 0.00 O ATOM 849 CB ASN A 70 2.938 17.271 -10.633 1.00 0.00 C ATOM 850 CG ASN A 70 4.212 18.041 -10.919 1.00 0.00 C ATOM 851 OD1 ASN A 70 5.116 18.102 -10.087 1.00 0.00 O ATOM 852 ND2 ASN A 70 4.292 18.631 -12.100 1.00 0.00 N ATOM 0 H ASN A 70 1.274 14.691 -10.902 1.00 0.00 H new ATOM 0 HA ASN A 70 3.338 16.047 -12.352 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.078 17.864 -10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.844 17.110 -9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.127 19.162 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.519 18.555 -12.761 1.00 0.00 H new ATOM 859 N GLY A 71 3.319 14.543 -9.397 1.00 0.00 N ATOM 860 CA GLY A 71 4.102 13.631 -8.584 1.00 0.00 C ATOM 861 C GLY A 71 3.541 13.475 -7.188 1.00 0.00 C ATOM 862 O GLY A 71 3.029 14.436 -6.613 1.00 0.00 O ATOM 0 H GLY A 71 2.438 14.847 -8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.138 12.656 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.128 13.994 -8.522 1.00 0.00 H new ATOM 866 N TRP A 72 3.651 12.269 -6.642 1.00 0.00 N ATOM 867 CA TRP A 72 3.073 11.942 -5.342 1.00 0.00 C ATOM 868 C TRP A 72 3.678 12.798 -4.227 1.00 0.00 C ATOM 869 O TRP A 72 4.841 13.197 -4.292 1.00 0.00 O ATOM 870 CB TRP A 72 3.282 10.457 -5.037 1.00 0.00 C ATOM 871 CG TRP A 72 2.526 9.538 -5.950 1.00 0.00 C ATOM 872 CD1 TRP A 72 3.058 8.650 -6.847 1.00 0.00 C ATOM 873 CD2 TRP A 72 1.099 9.401 -6.049 1.00 0.00 C ATOM 874 NE1 TRP A 72 2.050 7.997 -7.511 1.00 0.00 N ATOM 875 CE2 TRP A 72 0.843 8.436 -7.038 1.00 0.00 C ATOM 876 CE3 TRP A 72 0.011 10.006 -5.406 1.00 0.00 C ATOM 877 CZ2 TRP A 72 -0.450 8.060 -7.398 1.00 0.00 C ATOM 878 CZ3 TRP A 72 -1.270 9.628 -5.763 1.00 0.00 C ATOM 879 CH2 TRP A 72 -1.490 8.665 -6.751 1.00 0.00 C ATOM 0 H TRP A 72 4.141 11.492 -7.086 1.00 0.00 H new ATOM 0 HA TRP A 72 2.005 12.157 -5.385 1.00 0.00 H new ATOM 0 HB2 TRP A 72 4.345 10.228 -5.106 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.980 10.261 -4.008 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.114 8.488 -7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.180 7.296 -8.241 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.170 10.755 -4.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.624 7.316 -8.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.115 10.085 -5.270 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.503 8.393 -7.009 1.00 0.00 H new ATOM 890 N GLY A 73 2.871 13.091 -3.216 1.00 0.00 N ATOM 891 CA GLY A 73 3.342 13.859 -2.079 1.00 0.00 C ATOM 892 C GLY A 73 3.364 13.027 -0.815 1.00 0.00 C ATOM 893 O GLY A 73 2.341 12.453 -0.432 1.00 0.00 O ATOM 0 H GLY A 73 1.892 12.809 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.344 14.237 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.698 14.726 -1.933 1.00 0.00 H new ATOM 897 N GLU A 74 4.529 12.943 -0.184 1.00 0.00 N ATOM 898 CA GLU A 74 4.711 12.111 1.002 1.00 0.00 C ATOM 899 C GLU A 74 3.949 12.683 2.197 1.00 0.00 C ATOM 900 O GLU A 74 4.179 13.825 2.600 1.00 0.00 O ATOM 901 CB GLU A 74 6.201 11.989 1.342 1.00 0.00 C ATOM 902 CG GLU A 74 7.118 12.029 0.126 1.00 0.00 C ATOM 903 CD GLU A 74 8.166 10.932 0.141 1.00 0.00 C ATOM 904 OE1 GLU A 74 8.965 10.871 1.099 1.00 0.00 O ATOM 905 OE2 GLU A 74 8.205 10.123 -0.810 1.00 0.00 O ATOM 0 H GLU A 74 5.368 13.444 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 74 4.312 11.121 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.476 12.798 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.366 11.054 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.517 11.938 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.614 12.998 0.083 1.00 0.00 H new ATOM 912 N ILE A 75 3.042 11.886 2.759 1.00 0.00 N ATOM 913 CA ILE A 75 2.222 12.336 3.879 1.00 0.00 C ATOM 914 C ILE A 75 2.510 11.538 5.153 1.00 0.00 C ATOM 915 O ILE A 75 3.173 12.029 6.068 1.00 0.00 O ATOM 916 CB ILE A 75 0.711 12.239 3.558 1.00 0.00 C ATOM 917 CG1 ILE A 75 0.402 12.860 2.192 1.00 0.00 C ATOM 918 CG2 ILE A 75 -0.117 12.908 4.647 1.00 0.00 C ATOM 919 CD1 ILE A 75 0.643 14.354 2.128 1.00 0.00 C ATOM 0 H ILE A 75 2.858 10.929 2.458 1.00 0.00 H new ATOM 0 HA ILE A 75 2.487 13.380 4.046 1.00 0.00 H new ATOM 0 HB ILE A 75 0.442 11.183 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.014 12.370 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.639 12.659 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.176 12.828 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.072 12.416 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.160 13.960 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.402 14.719 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.011 14.856 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.690 14.563 2.348 1.00 0.00 H new ATOM 931 N LYS A 76 2.010 10.308 5.212 1.00 0.00 N ATOM 932 CA LYS A 76 2.110 9.499 6.428 1.00 0.00 C ATOM 933 C LYS A 76 3.238 8.476 6.323 1.00 0.00 C ATOM 934 O LYS A 76 3.198 7.588 5.479 1.00 0.00 O ATOM 935 CB LYS A 76 0.772 8.796 6.704 1.00 0.00 C ATOM 936 CG LYS A 76 0.863 7.640 7.693 1.00 0.00 C ATOM 937 CD LYS A 76 0.821 8.124 9.134 1.00 0.00 C ATOM 938 CE LYS A 76 1.666 7.242 10.041 1.00 0.00 C ATOM 939 NZ LYS A 76 1.061 7.074 11.391 1.00 0.00 N ATOM 0 H LYS A 76 1.533 9.848 4.437 1.00 0.00 H new ATOM 0 HA LYS A 76 2.341 10.164 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.061 9.530 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.370 8.422 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.040 6.947 7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.787 7.087 7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.181 9.151 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.210 8.130 9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.792 6.263 9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.660 7.677 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.672 6.466 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.964 8.004 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.123 6.635 11.299 1.00 0.00 H new ATOM 953 N ARG A 77 4.235 8.600 7.189 1.00 0.00 N ATOM 954 CA ARG A 77 5.389 7.710 7.168 1.00 0.00 C ATOM 955 C ARG A 77 5.297 6.672 8.278 1.00 0.00 C ATOM 956 O ARG A 77 5.051 7.016 9.434 1.00 0.00 O ATOM 957 CB ARG A 77 6.674 8.522 7.332 1.00 0.00 C ATOM 958 CG ARG A 77 7.684 8.305 6.220 1.00 0.00 C ATOM 959 CD ARG A 77 8.760 9.377 6.239 1.00 0.00 C ATOM 960 NE ARG A 77 9.958 8.970 5.507 1.00 0.00 N ATOM 961 CZ ARG A 77 10.259 9.394 4.279 1.00 0.00 C ATOM 962 NH1 ARG A 77 9.466 10.264 3.659 1.00 0.00 N ATOM 963 NH2 ARG A 77 11.361 8.961 3.683 1.00 0.00 N ATOM 0 H ARG A 77 4.268 9.312 7.919 1.00 0.00 H new ATOM 0 HA ARG A 77 5.402 7.192 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.420 9.581 7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.136 8.264 8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.144 7.323 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.175 8.314 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.364 10.294 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.027 9.604 7.271 1.00 0.00 H new ATOM 0 HE ARG A 77 10.602 8.323 5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.625 10.608 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.699 10.587 2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.977 8.305 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.593 9.284 2.744 1.00 0.00 H new ATOM 977 N ASN A 78 5.477 5.404 7.926 1.00 0.00 N ATOM 978 CA ASN A 78 5.499 4.334 8.915 1.00 0.00 C ATOM 979 C ASN A 78 6.749 3.471 8.746 1.00 0.00 C ATOM 980 O ASN A 78 7.403 3.501 7.701 1.00 0.00 O ATOM 981 CB ASN A 78 4.244 3.470 8.790 1.00 0.00 C ATOM 982 CG ASN A 78 3.391 3.447 10.053 1.00 0.00 C ATOM 983 OD1 ASN A 78 2.405 4.173 10.157 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.755 2.605 11.014 1.00 0.00 N ATOM 0 H ASN A 78 5.610 5.092 6.964 1.00 0.00 H new ATOM 0 HA ASN A 78 5.520 4.785 9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.640 3.839 7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.538 2.450 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.209 2.546 11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.580 2.018 10.892 1.00 0.00 H new ATOM 991 N ASP A 79 7.046 2.687 9.774 1.00 0.00 N ATOM 992 CA ASP A 79 8.260 1.875 9.847 1.00 0.00 C ATOM 993 C ASP A 79 8.148 0.602 9.004 1.00 0.00 C ATOM 994 O ASP A 79 7.291 0.497 8.124 1.00 0.00 O ATOM 995 CB ASP A 79 8.571 1.515 11.311 1.00 0.00 C ATOM 996 CG ASP A 79 7.335 1.154 12.123 1.00 0.00 C ATOM 997 OD1 ASP A 79 6.395 1.979 12.201 1.00 0.00 O ATOM 998 OD2 ASP A 79 7.297 0.050 12.697 1.00 0.00 O ATOM 0 H ASP A 79 6.445 2.594 10.593 1.00 0.00 H new ATOM 0 HA ASP A 79 9.077 2.469 9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.267 0.676 11.331 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.074 2.358 11.785 1.00 0.00 H new ATOM 1003 N ILE A 80 9.045 -0.346 9.253 1.00 0.00 N ATOM 1004 CA ILE A 80 9.054 -1.613 8.527 1.00 0.00 C ATOM 1005 C ILE A 80 8.367 -2.712 9.330 1.00 0.00 C ATOM 1006 O ILE A 80 8.269 -2.628 10.556 1.00 0.00 O ATOM 1007 CB ILE A 80 10.497 -2.056 8.181 1.00 0.00 C ATOM 1008 CG1 ILE A 80 11.218 -2.603 9.418 1.00 0.00 C ATOM 1009 CG2 ILE A 80 11.282 -0.896 7.590 1.00 0.00 C ATOM 1010 CD1 ILE A 80 12.080 -3.813 9.132 1.00 0.00 C ATOM 0 H ILE A 80 9.779 -0.261 9.956 1.00 0.00 H new ATOM 0 HA ILE A 80 8.504 -1.452 7.600 1.00 0.00 H new ATOM 0 HB ILE A 80 10.434 -2.854 7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.841 -1.816 9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.477 -2.866 10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.294 -1.225 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.790 -0.550 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.325 -0.081 8.312 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.559 -4.145 10.053 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.459 -4.617 8.736 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.844 -3.551 8.400 1.00 0.00 H new ATOM 1022 N ASP A 81 7.891 -3.733 8.616 1.00 0.00 N ATOM 1023 CA ASP A 81 7.198 -4.874 9.216 1.00 0.00 C ATOM 1024 C ASP A 81 6.105 -4.423 10.183 1.00 0.00 C ATOM 1025 O ASP A 81 5.982 -4.943 11.294 1.00 0.00 O ATOM 1026 CB ASP A 81 8.194 -5.795 9.922 1.00 0.00 C ATOM 1027 CG ASP A 81 7.794 -7.251 9.822 1.00 0.00 C ATOM 1028 OD1 ASP A 81 7.735 -7.784 8.691 1.00 0.00 O ATOM 1029 OD2 ASP A 81 7.523 -7.869 10.869 1.00 0.00 O ATOM 0 H ASP A 81 7.976 -3.792 7.601 1.00 0.00 H new ATOM 0 HA ASP A 81 6.717 -5.430 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.184 -5.661 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.268 -5.511 10.972 1.00 0.00 H new ATOM 1034 N LYS A 82 5.303 -3.460 9.746 1.00 0.00 N ATOM 1035 CA LYS A 82 4.290 -2.858 10.606 1.00 0.00 C ATOM 1036 C LYS A 82 2.989 -2.615 9.853 1.00 0.00 C ATOM 1037 O LYS A 82 2.971 -2.550 8.618 1.00 0.00 O ATOM 1038 CB LYS A 82 4.806 -1.530 11.148 1.00 0.00 C ATOM 1039 CG LYS A 82 5.366 -0.626 10.070 1.00 0.00 C ATOM 1040 CD LYS A 82 4.280 0.187 9.393 1.00 0.00 C ATOM 1041 CE LYS A 82 4.311 0.028 7.885 1.00 0.00 C ATOM 1042 NZ LYS A 82 2.945 0.093 7.298 1.00 0.00 N ATOM 0 H LYS A 82 5.334 -3.078 8.801 1.00 0.00 H new ATOM 0 HA LYS A 82 4.090 -3.551 11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.995 -1.014 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.581 -1.724 11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.104 0.047 10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.886 -1.228 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.306 -0.123 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.401 1.239 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.932 0.810 7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.773 -0.926 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.012 0.083 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.391 -0.727 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.476 0.969 7.606 1.00 0.00 H new ATOM 1056 N PRO A 83 1.888 -2.461 10.588 1.00 0.00 N ATOM 1057 CA PRO A 83 0.601 -2.083 10.026 1.00 0.00 C ATOM 1058 C PRO A 83 0.461 -0.564 9.888 1.00 0.00 C ATOM 1059 O PRO A 83 0.835 0.188 10.784 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.409 -2.623 11.053 1.00 0.00 C ATOM 1061 CG PRO A 83 0.395 -3.199 12.182 1.00 0.00 C ATOM 1062 CD PRO A 83 1.788 -2.670 12.035 1.00 0.00 C ATOM 0 HA PRO A 83 0.458 -2.480 9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.063 -1.827 11.409 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.048 -3.384 10.605 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.028 -2.911 13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.389 -4.288 12.144 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.933 -1.744 12.591 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.533 -3.379 12.397 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.042 -0.118 8.745 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.371 1.289 8.551 1.00 0.00 C ATOM 1072 C LEU A 84 -1.710 1.574 9.211 1.00 0.00 C ATOM 1073 O LEU A 84 -2.728 1.027 8.798 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.449 1.620 7.053 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.127 3.070 6.658 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -1.217 4.028 7.121 1.00 0.00 C ATOM 1077 CD2 LEU A 84 1.224 3.494 7.206 1.00 0.00 C ATOM 0 H LEU A 84 -0.232 -0.710 7.937 1.00 0.00 H new ATOM 0 HA LEU A 84 0.406 1.908 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.236 0.960 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.454 1.385 6.703 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.085 3.112 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.958 5.045 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.166 3.748 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.309 3.978 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.429 4.524 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.215 3.421 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.000 2.842 6.806 1.00 0.00 H new ATOM 1089 N LYS A 85 -1.704 2.403 10.239 1.00 0.00 N ATOM 1090 CA LYS A 85 -2.931 2.727 10.943 1.00 0.00 C ATOM 1091 C LYS A 85 -3.279 4.199 10.770 1.00 0.00 C ATOM 1092 O LYS A 85 -2.631 5.077 11.342 1.00 0.00 O ATOM 1093 CB LYS A 85 -2.800 2.386 12.427 1.00 0.00 C ATOM 1094 CG LYS A 85 -3.804 1.350 12.905 1.00 0.00 C ATOM 1095 CD LYS A 85 -4.878 1.977 13.783 1.00 0.00 C ATOM 1096 CE LYS A 85 -4.626 1.701 15.256 1.00 0.00 C ATOM 1097 NZ LYS A 85 -5.850 1.906 16.077 1.00 0.00 N ATOM 0 H LYS A 85 -0.869 2.862 10.603 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.737 2.130 10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.792 2.018 12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.924 3.297 13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.270 0.870 12.045 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.286 0.570 13.463 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.905 3.053 13.613 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.855 1.585 13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.274 0.677 15.378 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.833 2.356 15.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.636 1.708 17.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.172 2.890 15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.599 1.264 15.749 1.00 0.00 H new ATOM 1111 N TYR A 86 -4.293 4.454 9.962 1.00 0.00 N ATOM 1112 CA TYR A 86 -4.797 5.801 9.765 1.00 0.00 C ATOM 1113 C TYR A 86 -6.306 5.807 9.979 1.00 0.00 C ATOM 1114 O TYR A 86 -7.071 5.410 9.101 1.00 0.00 O ATOM 1115 CB TYR A 86 -4.445 6.293 8.357 1.00 0.00 C ATOM 1116 CG TYR A 86 -4.580 7.788 8.164 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -3.974 8.685 9.038 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -5.307 8.302 7.098 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -4.095 10.049 8.856 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -5.433 9.665 6.908 1.00 0.00 C ATOM 1121 CZ TYR A 86 -4.823 10.535 7.788 1.00 0.00 C ATOM 1122 OH TYR A 86 -4.950 11.893 7.608 1.00 0.00 O ATOM 0 H TYR A 86 -4.787 3.739 9.428 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.334 6.476 10.485 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.420 6.001 8.129 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.088 5.787 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.400 8.309 9.872 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.783 7.624 6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.622 10.732 9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.006 10.047 6.076 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.899 12.137 7.615 1.00 0.00 H new ATOM 1132 N GLU A 87 -6.726 6.239 11.160 1.00 0.00 N ATOM 1133 CA GLU A 87 -8.135 6.204 11.536 1.00 0.00 C ATOM 1134 C GLU A 87 -8.864 7.485 11.137 1.00 0.00 C ATOM 1135 O GLU A 87 -9.986 7.740 11.587 1.00 0.00 O ATOM 1136 CB GLU A 87 -8.271 5.971 13.043 1.00 0.00 C ATOM 1137 CG GLU A 87 -7.609 7.042 13.896 1.00 0.00 C ATOM 1138 CD GLU A 87 -6.193 6.681 14.300 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -5.291 6.765 13.442 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -5.974 6.330 15.480 1.00 0.00 O ATOM 0 H GLU A 87 -6.109 6.620 11.878 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.599 5.379 10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.329 5.920 13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.836 5.003 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.596 7.982 13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.207 7.207 14.793 1.00 0.00 H new ATOM 1147 N ASP A 88 -8.232 8.290 10.296 1.00 0.00 N ATOM 1148 CA ASP A 88 -8.839 9.534 9.842 1.00 0.00 C ATOM 1149 C ASP A 88 -9.697 9.292 8.611 1.00 0.00 C ATOM 1150 O ASP A 88 -9.189 9.103 7.507 1.00 0.00 O ATOM 1151 CB ASP A 88 -7.780 10.599 9.537 1.00 0.00 C ATOM 1152 CG ASP A 88 -8.330 11.768 8.728 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -9.463 12.224 9.010 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -7.624 12.251 7.815 1.00 0.00 O ATOM 0 H ASP A 88 -7.304 8.106 9.915 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.469 9.903 10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.369 10.974 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.957 10.140 8.989 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.999 9.263 8.823 1.00 0.00 N ATOM 1160 CA TYR A 89 -11.949 9.218 7.727 1.00 0.00 C ATOM 1161 C TYR A 89 -12.939 10.360 7.885 1.00 0.00 C ATOM 1162 O TYR A 89 -14.062 10.314 7.383 1.00 0.00 O ATOM 1163 CB TYR A 89 -12.669 7.867 7.675 1.00 0.00 C ATOM 1164 CG TYR A 89 -12.457 7.133 6.368 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -11.374 6.280 6.199 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -13.330 7.303 5.302 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -11.169 5.614 5.005 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -13.131 6.641 4.106 1.00 0.00 C ATOM 1169 CZ TYR A 89 -12.050 5.797 3.962 1.00 0.00 C ATOM 1170 OH TYR A 89 -11.848 5.142 2.768 1.00 0.00 O ATOM 0 H TYR A 89 -11.425 9.270 9.750 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.415 9.332 6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.318 7.243 8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.737 8.025 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.680 6.135 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.178 7.963 5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.322 4.953 4.891 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -13.820 6.784 3.286 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.561 5.381 2.139 1.00 0.00 H new ATOM 1180 N TYR A 90 -12.501 11.386 8.606 1.00 0.00 N ATOM 1181 CA TYR A 90 -13.301 12.582 8.816 1.00 0.00 C ATOM 1182 C TYR A 90 -13.107 13.527 7.642 1.00 0.00 C ATOM 1183 O TYR A 90 -14.016 14.262 7.253 1.00 0.00 O ATOM 1184 CB TYR A 90 -12.905 13.272 10.126 1.00 0.00 C ATOM 1185 CG TYR A 90 -12.642 12.311 11.266 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -13.643 11.469 11.736 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -11.391 12.240 11.865 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -13.405 10.587 12.772 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -11.147 11.358 12.902 1.00 0.00 C ATOM 1190 CZ TYR A 90 -12.157 10.533 13.350 1.00 0.00 C ATOM 1191 OH TYR A 90 -11.919 9.649 14.380 1.00 0.00 O ATOM 0 H TYR A 90 -11.587 11.410 9.058 1.00 0.00 H new ATOM 0 HA TYR A 90 -14.352 12.302 8.886 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -12.011 13.871 9.955 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.699 13.960 10.418 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -14.623 11.505 11.284 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.597 12.883 11.516 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -14.195 9.942 13.127 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.169 11.316 13.359 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.989 9.735 14.676 1.00 0.00 H new ATOM 1201 N THR A 91 -11.908 13.497 7.087 1.00 0.00 N ATOM 1202 CA THR A 91 -11.611 14.226 5.872 1.00 0.00 C ATOM 1203 C THR A 91 -12.208 13.496 4.671 1.00 0.00 C ATOM 1204 O THR A 91 -12.258 12.264 4.656 1.00 0.00 O ATOM 1205 CB THR A 91 -10.090 14.374 5.690 1.00 0.00 C ATOM 1206 OG1 THR A 91 -9.448 14.383 6.976 1.00 0.00 O ATOM 1207 CG2 THR A 91 -9.753 15.655 4.944 1.00 0.00 C ATOM 0 H THR A 91 -11.120 12.970 7.464 1.00 0.00 H new ATOM 0 HA THR A 91 -12.051 15.220 5.946 1.00 0.00 H new ATOM 0 HB THR A 91 -9.731 13.529 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.788 13.660 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.672 15.735 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 91 -10.223 15.638 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 91 -10.122 16.512 5.507 1.00 0.00 H new ATOM 1215 N SER A 92 -12.680 14.253 3.685 1.00 0.00 N ATOM 1216 CA SER A 92 -13.276 13.676 2.486 1.00 0.00 C ATOM 1217 C SER A 92 -12.318 12.687 1.826 1.00 0.00 C ATOM 1218 O SER A 92 -11.132 12.982 1.642 1.00 0.00 O ATOM 1219 CB SER A 92 -13.649 14.790 1.507 1.00 0.00 C ATOM 1220 OG SER A 92 -13.703 16.042 2.172 1.00 0.00 O ATOM 0 H SER A 92 -12.661 15.273 3.694 1.00 0.00 H new ATOM 0 HA SER A 92 -14.178 13.134 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.918 14.832 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.615 14.572 1.051 1.00 0.00 H new ATOM 0 HG SER A 92 -13.941 16.743 1.530 1.00 0.00 H new ATOM 1226 N GLY A 93 -12.842 11.516 1.485 1.00 0.00 N ATOM 1227 CA GLY A 93 -12.022 10.458 0.941 1.00 0.00 C ATOM 1228 C GLY A 93 -11.431 10.807 -0.408 1.00 0.00 C ATOM 1229 O GLY A 93 -12.146 10.912 -1.408 1.00 0.00 O ATOM 0 H GLY A 93 -13.830 11.282 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.215 10.235 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.621 9.552 0.846 1.00 0.00 H new ATOM 1233 N LEU A 94 -10.124 10.999 -0.431 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.408 11.261 -1.666 1.00 0.00 C ATOM 1235 C LEU A 94 -8.809 9.959 -2.188 1.00 0.00 C ATOM 1236 O LEU A 94 -9.233 8.872 -1.788 1.00 0.00 O ATOM 1237 CB LEU A 94 -8.302 12.297 -1.426 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.391 13.580 -2.265 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -7.637 13.418 -3.574 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -9.843 13.960 -2.530 1.00 0.00 C ATOM 0 H LEU A 94 -9.533 10.978 0.400 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.099 11.661 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.313 12.574 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.340 11.824 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.927 14.386 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.712 14.338 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.588 13.205 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.068 12.594 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.877 14.872 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.337 13.154 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.354 14.127 -1.582 1.00 0.00 H new ATOM 1252 N SER A 95 -7.838 10.068 -3.077 1.00 0.00 N ATOM 1253 CA SER A 95 -7.128 8.902 -3.565 1.00 0.00 C ATOM 1254 C SER A 95 -5.777 8.787 -2.871 1.00 0.00 C ATOM 1255 O SER A 95 -4.941 9.690 -2.952 1.00 0.00 O ATOM 1256 CB SER A 95 -6.952 8.981 -5.083 1.00 0.00 C ATOM 1257 OG SER A 95 -8.207 8.874 -5.736 1.00 0.00 O ATOM 0 H SER A 95 -7.524 10.953 -3.475 1.00 0.00 H new ATOM 0 HA SER A 95 -7.713 8.011 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.475 9.924 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.291 8.183 -5.420 1.00 0.00 H new ATOM 0 HG SER A 95 -8.077 8.928 -6.706 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.582 7.681 -2.176 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.357 7.448 -1.435 1.00 0.00 C ATOM 1265 C TRP A 96 -3.562 6.333 -2.092 1.00 0.00 C ATOM 1266 O TRP A 96 -4.138 5.372 -2.609 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.658 7.076 0.024 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.919 7.674 0.569 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -7.181 7.163 0.469 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -6.034 8.889 1.316 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -8.078 7.993 1.094 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -7.397 9.060 1.625 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -5.118 9.852 1.749 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.866 10.153 2.348 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -5.585 10.937 2.469 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -6.948 11.081 2.762 1.00 0.00 C ATOM 0 H TRP A 96 -6.263 6.925 -2.110 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.773 8.369 -1.443 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -4.721 5.991 0.104 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.821 7.393 0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.437 6.240 -0.030 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -9.085 7.842 1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -4.066 9.751 1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.916 10.265 2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -4.887 11.686 2.811 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.281 11.940 3.325 1.00 0.00 H new ATOM 1287 N ILE A 97 -2.250 6.467 -2.088 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.385 5.455 -2.653 1.00 0.00 C ATOM 1289 C ILE A 97 -0.357 4.994 -1.623 1.00 0.00 C ATOM 1290 O ILE A 97 0.227 5.807 -0.899 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.690 5.961 -3.945 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.490 4.802 -4.920 1.00 0.00 C ATOM 1293 CG2 ILE A 97 0.638 6.650 -3.652 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -1.285 4.950 -6.196 1.00 0.00 C ATOM 0 H ILE A 97 -1.760 7.272 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.003 4.600 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.343 6.706 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.569 4.723 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.773 3.871 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.087 6.987 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.467 7.508 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.311 5.949 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.097 4.093 -6.843 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.348 4.999 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.985 5.864 -6.708 1.00 0.00 H new ATOM 1306 N TRP A 98 -0.169 3.691 -1.530 1.00 0.00 N ATOM 1307 CA TRP A 98 0.820 3.132 -0.626 1.00 0.00 C ATOM 1308 C TRP A 98 2.140 2.972 -1.364 1.00 0.00 C ATOM 1309 O TRP A 98 2.273 2.117 -2.242 1.00 0.00 O ATOM 1310 CB TRP A 98 0.357 1.779 -0.072 1.00 0.00 C ATOM 1311 CG TRP A 98 -1.102 1.730 0.299 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -2.136 1.331 -0.500 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -1.687 2.083 1.564 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -3.325 1.417 0.185 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -3.078 1.874 1.453 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -1.175 2.555 2.777 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.956 2.117 2.511 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -2.049 2.796 3.819 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -3.423 2.577 3.683 1.00 0.00 C ATOM 0 H TRP A 98 -0.688 2.999 -2.070 1.00 0.00 H new ATOM 0 HA TRP A 98 0.950 3.812 0.216 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.557 1.007 -0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.952 1.537 0.808 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.034 0.996 -1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -4.243 1.179 -0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.116 2.728 2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -5.018 1.948 2.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -1.663 3.161 4.759 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -4.076 2.775 4.520 1.00 0.00 H new ATOM 1330 N LYS A 99 3.105 3.811 -1.035 1.00 0.00 N ATOM 1331 CA LYS A 99 4.383 3.782 -1.721 1.00 0.00 C ATOM 1332 C LYS A 99 5.456 3.139 -0.856 1.00 0.00 C ATOM 1333 O LYS A 99 5.687 3.549 0.284 1.00 0.00 O ATOM 1334 CB LYS A 99 4.811 5.193 -2.128 1.00 0.00 C ATOM 1335 CG LYS A 99 6.056 5.231 -3.004 1.00 0.00 C ATOM 1336 CD LYS A 99 6.414 6.651 -3.406 1.00 0.00 C ATOM 1337 CE LYS A 99 7.243 7.344 -2.339 1.00 0.00 C ATOM 1338 NZ LYS A 99 7.966 8.526 -2.874 1.00 0.00 N ATOM 0 H LYS A 99 3.029 4.516 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 99 4.262 3.179 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.989 5.672 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.994 5.781 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.892 4.782 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.891 4.630 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.968 6.635 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.502 7.220 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.593 7.656 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.961 6.638 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.160 9.194 -2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.864 8.220 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.381 8.993 -3.596 1.00 0.00 H new ATOM 1352 N ILE A 100 6.102 2.126 -1.407 1.00 0.00 N ATOM 1353 CA ILE A 100 7.211 1.468 -0.740 1.00 0.00 C ATOM 1354 C ILE A 100 8.520 2.124 -1.147 1.00 0.00 C ATOM 1355 O ILE A 100 8.956 2.005 -2.291 1.00 0.00 O ATOM 1356 CB ILE A 100 7.262 -0.040 -1.070 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.893 -0.683 -0.835 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.324 -0.737 -0.228 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.691 -1.975 -1.597 1.00 0.00 C ATOM 0 H ILE A 100 5.874 1.739 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 100 7.062 1.572 0.335 1.00 0.00 H new ATOM 0 HB ILE A 100 7.526 -0.153 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.770 -0.877 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.115 0.024 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.345 -1.799 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.299 -0.297 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.088 -0.615 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.699 -2.373 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.781 -1.785 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.447 -2.699 -1.292 1.00 0.00 H new ATOM 1371 N LYS A 101 9.114 2.854 -0.219 1.00 0.00 N ATOM 1372 CA LYS A 101 10.392 3.501 -0.461 1.00 0.00 C ATOM 1373 C LYS A 101 11.480 2.799 0.334 1.00 0.00 C ATOM 1374 O LYS A 101 11.499 2.864 1.559 1.00 0.00 O ATOM 1375 CB LYS A 101 10.320 4.976 -0.070 1.00 0.00 C ATOM 1376 CG LYS A 101 11.592 5.752 -0.365 1.00 0.00 C ATOM 1377 CD LYS A 101 11.695 6.993 0.505 1.00 0.00 C ATOM 1378 CE LYS A 101 10.438 7.845 0.421 1.00 0.00 C ATOM 1379 NZ LYS A 101 10.609 8.989 -0.508 1.00 0.00 N ATOM 0 H LYS A 101 8.730 3.014 0.712 1.00 0.00 H new ATOM 0 HA LYS A 101 10.629 3.436 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.490 5.443 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.100 5.049 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.458 5.113 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.610 6.040 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.866 6.698 1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.557 7.584 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.603 7.229 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.184 8.217 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.680 9.403 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.215 9.709 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.052 8.658 -1.389 1.00 0.00 H new ATOM 1393 N ASN A 102 12.381 2.128 -0.363 1.00 0.00 N ATOM 1394 CA ASN A 102 13.392 1.318 0.293 1.00 0.00 C ATOM 1395 C ASN A 102 14.657 2.134 0.566 1.00 0.00 C ATOM 1396 O ASN A 102 14.835 3.228 0.019 1.00 0.00 O ATOM 1397 CB ASN A 102 13.695 0.094 -0.567 1.00 0.00 C ATOM 1398 CG ASN A 102 14.255 -1.066 0.236 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.204 -1.069 1.462 1.00 0.00 O ATOM 1400 ND2 ASN A 102 14.788 -2.060 -0.456 1.00 0.00 N ATOM 0 H ASN A 102 12.433 2.128 -1.382 1.00 0.00 H new ATOM 0 HA ASN A 102 13.012 0.984 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.782 -0.226 -1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 102 14.408 0.369 -1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.177 -2.869 0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.810 -2.018 -1.475 1.00 0.00 H new ATOM 1407 N ASN A 103 15.518 1.607 1.426 1.00 0.00 N ATOM 1408 CA ASN A 103 16.716 2.320 1.873 1.00 0.00 C ATOM 1409 C ASN A 103 17.984 1.505 1.652 1.00 0.00 C ATOM 1410 O ASN A 103 19.080 2.057 1.546 1.00 0.00 O ATOM 1411 CB ASN A 103 16.591 2.603 3.365 1.00 0.00 C ATOM 1412 CG ASN A 103 16.848 4.049 3.730 1.00 0.00 C ATOM 1413 OD1 ASN A 103 17.186 4.874 2.879 1.00 0.00 O ATOM 1414 ND2 ASN A 103 16.673 4.370 4.999 1.00 0.00 N ATOM 0 H ASN A 103 15.410 0.678 1.834 1.00 0.00 H new ATOM 0 HA ASN A 103 16.791 3.239 1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.590 2.325 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.293 1.970 3.907 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.818 5.332 5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.393 3.656 5.672 1.00 0.00 H new ATOM 1421 N SER A 104 17.819 0.196 1.590 1.00 0.00 N ATOM 1422 CA SER A 104 18.935 -0.735 1.629 1.00 0.00 C ATOM 1423 C SER A 104 19.747 -0.752 0.335 1.00 0.00 C ATOM 1424 O SER A 104 19.442 -0.051 -0.628 1.00 0.00 O ATOM 1425 CB SER A 104 18.387 -2.131 1.906 1.00 0.00 C ATOM 1426 OG SER A 104 16.971 -2.142 1.795 1.00 0.00 O ATOM 0 H SER A 104 16.907 -0.253 1.511 1.00 0.00 H new ATOM 0 HA SER A 104 19.613 -0.409 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.818 -2.843 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.682 -2.452 2.905 1.00 0.00 H new ATOM 0 HG SER A 104 16.673 -3.029 1.503 1.00 0.00 H new ATOM 1432 N SER A 105 20.806 -1.546 0.337 1.00 0.00 N ATOM 1433 CA SER A 105 21.561 -1.817 -0.872 1.00 0.00 C ATOM 1434 C SER A 105 21.084 -3.130 -1.492 1.00 0.00 C ATOM 1435 O SER A 105 21.348 -3.419 -2.662 1.00 0.00 O ATOM 1436 CB SER A 105 23.050 -1.898 -0.542 1.00 0.00 C ATOM 1437 OG SER A 105 23.251 -1.909 0.862 1.00 0.00 O ATOM 0 H SER A 105 21.162 -2.016 1.169 1.00 0.00 H new ATOM 0 HA SER A 105 21.403 -1.010 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 105 23.477 -2.799 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 105 23.572 -1.049 -0.983 1.00 0.00 H new ATOM 0 HG SER A 105 24.210 -1.963 1.055 1.00 0.00 H new ATOM 1443 N GLU A 106 20.366 -3.913 -0.691 1.00 0.00 N ATOM 1444 CA GLU A 106 19.880 -5.221 -1.109 1.00 0.00 C ATOM 1445 C GLU A 106 18.483 -5.125 -1.711 1.00 0.00 C ATOM 1446 O GLU A 106 17.739 -4.182 -1.439 1.00 0.00 O ATOM 1447 CB GLU A 106 19.863 -6.187 0.082 1.00 0.00 C ATOM 1448 CG GLU A 106 19.251 -5.599 1.347 1.00 0.00 C ATOM 1449 CD GLU A 106 18.266 -6.540 2.016 1.00 0.00 C ATOM 1450 OE1 GLU A 106 17.075 -6.527 1.640 1.00 0.00 O ATOM 1451 OE2 GLU A 106 18.680 -7.295 2.924 1.00 0.00 O ATOM 0 H GLU A 106 20.107 -3.658 0.262 1.00 0.00 H new ATOM 0 HA GLU A 106 20.559 -5.599 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.306 -7.082 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.884 -6.501 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 106 20.047 -5.354 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 106 18.745 -4.666 1.100 1.00 0.00 H new ATOM 1458 N THR A 107 18.146 -6.101 -2.541 1.00 0.00 N ATOM 1459 CA THR A 107 16.820 -6.187 -3.121 1.00 0.00 C ATOM 1460 C THR A 107 15.852 -6.810 -2.117 1.00 0.00 C ATOM 1461 O THR A 107 15.795 -8.033 -1.958 1.00 0.00 O ATOM 1462 CB THR A 107 16.847 -7.007 -4.426 1.00 0.00 C ATOM 1463 OG1 THR A 107 18.060 -6.722 -5.145 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.643 -6.679 -5.297 1.00 0.00 C ATOM 0 H THR A 107 18.779 -6.848 -2.827 1.00 0.00 H new ATOM 0 HA THR A 107 16.479 -5.180 -3.362 1.00 0.00 H new ATOM 0 HB THR A 107 16.808 -8.067 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 107 18.079 -7.244 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.684 -7.270 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.727 -6.913 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.654 -5.619 -5.549 1.00 0.00 H new ATOM 1472 N SER A 108 15.098 -5.956 -1.441 1.00 0.00 N ATOM 1473 CA SER A 108 14.273 -6.386 -0.326 1.00 0.00 C ATOM 1474 C SER A 108 12.924 -6.925 -0.789 1.00 0.00 C ATOM 1475 O SER A 108 12.291 -6.373 -1.689 1.00 0.00 O ATOM 1476 CB SER A 108 14.079 -5.226 0.648 1.00 0.00 C ATOM 1477 OG SER A 108 15.321 -4.620 0.967 1.00 0.00 O ATOM 0 H SER A 108 15.042 -4.959 -1.647 1.00 0.00 H new ATOM 0 HA SER A 108 14.789 -7.203 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.410 -4.485 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.601 -5.587 1.559 1.00 0.00 H new ATOM 0 HG SER A 108 15.900 -5.275 1.410 1.00 0.00 H new ATOM 1483 N ASN A 109 12.502 -8.020 -0.173 1.00 0.00 N ATOM 1484 CA ASN A 109 11.208 -8.619 -0.463 1.00 0.00 C ATOM 1485 C ASN A 109 10.137 -8.007 0.429 1.00 0.00 C ATOM 1486 O ASN A 109 10.192 -8.134 1.654 1.00 0.00 O ATOM 1487 CB ASN A 109 11.256 -10.137 -0.246 1.00 0.00 C ATOM 1488 CG ASN A 109 10.057 -10.853 -0.841 1.00 0.00 C ATOM 1489 OD1 ASN A 109 10.118 -11.354 -1.964 1.00 0.00 O ATOM 1490 ND2 ASN A 109 8.969 -10.924 -0.088 1.00 0.00 N ATOM 0 H ASN A 109 13.042 -8.515 0.537 1.00 0.00 H new ATOM 0 HA ASN A 109 10.964 -8.421 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.168 -10.535 -0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.305 -10.346 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.140 -11.408 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.960 -10.495 0.837 1.00 0.00 H new ATOM 1497 N TYR A 110 9.170 -7.340 -0.180 1.00 0.00 N ATOM 1498 CA TYR A 110 8.086 -6.731 0.575 1.00 0.00 C ATOM 1499 C TYR A 110 6.870 -7.642 0.564 1.00 0.00 C ATOM 1500 O TYR A 110 6.503 -8.185 -0.472 1.00 0.00 O ATOM 1501 CB TYR A 110 7.718 -5.344 0.011 1.00 0.00 C ATOM 1502 CG TYR A 110 7.386 -5.324 -1.473 1.00 0.00 C ATOM 1503 CD1 TYR A 110 6.106 -5.626 -1.932 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.353 -4.997 -2.417 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.807 -5.608 -3.281 1.00 0.00 C ATOM 1506 CE2 TYR A 110 8.058 -4.975 -3.766 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.785 -5.282 -4.192 1.00 0.00 C ATOM 1508 OH TYR A 110 6.489 -5.266 -5.537 1.00 0.00 O ATOM 0 H TYR A 110 9.113 -7.207 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 110 8.424 -6.594 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.862 -4.958 0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.549 -4.662 0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.333 -5.879 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.353 -4.756 -2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.810 -5.849 -3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.823 -4.718 -4.484 1.00 0.00 H new ATOM 0 HH TYR A 110 7.289 -5.015 -6.045 1.00 0.00 H new ATOM 1518 N SER A 111 6.268 -7.827 1.719 1.00 0.00 N ATOM 1519 CA SER A 111 5.036 -8.584 1.809 1.00 0.00 C ATOM 1520 C SER A 111 3.924 -7.684 2.331 1.00 0.00 C ATOM 1521 O SER A 111 3.647 -7.636 3.530 1.00 0.00 O ATOM 1522 CB SER A 111 5.224 -9.817 2.699 1.00 0.00 C ATOM 1523 OG SER A 111 6.196 -10.697 2.152 1.00 0.00 O ATOM 0 H SER A 111 6.610 -7.464 2.609 1.00 0.00 H new ATOM 0 HA SER A 111 4.756 -8.939 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.531 -9.506 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.274 -10.340 2.807 1.00 0.00 H new ATOM 0 HG SER A 111 6.299 -11.475 2.738 1.00 0.00 H new ATOM 1529 N LEU A 112 3.319 -6.948 1.415 1.00 0.00 N ATOM 1530 CA LEU A 112 2.250 -6.024 1.744 1.00 0.00 C ATOM 1531 C LEU A 112 0.948 -6.789 1.933 1.00 0.00 C ATOM 1532 O LEU A 112 0.560 -7.582 1.073 1.00 0.00 O ATOM 1533 CB LEU A 112 2.100 -4.987 0.623 1.00 0.00 C ATOM 1534 CG LEU A 112 1.459 -3.652 1.018 1.00 0.00 C ATOM 1535 CD1 LEU A 112 2.051 -3.125 2.315 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.638 -2.630 -0.095 1.00 0.00 C ATOM 0 H LEU A 112 3.555 -6.975 0.423 1.00 0.00 H new ATOM 0 HA LEU A 112 2.491 -5.507 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.088 -4.784 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.505 -5.430 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 112 0.394 -3.822 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.578 -2.177 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.877 -3.846 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.123 -2.974 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.178 -1.687 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.701 -2.474 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.163 -2.997 -1.005 1.00 0.00 H new ATOM 1548 N ASP A 113 0.293 -6.578 3.064 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.990 -7.218 3.311 1.00 0.00 C ATOM 1550 C ASP A 113 -2.087 -6.195 3.513 1.00 0.00 C ATOM 1551 O ASP A 113 -2.338 -5.727 4.629 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.951 -8.158 4.516 1.00 0.00 C ATOM 1553 CG ASP A 113 -1.666 -9.467 4.241 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -1.148 -10.291 3.452 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -2.757 -9.676 4.808 1.00 0.00 O ATOM 0 H ASP A 113 0.624 -5.976 3.818 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.206 -7.810 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.086 -8.361 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.411 -7.667 5.373 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.694 -5.817 2.412 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.968 -5.143 2.425 1.00 0.00 C ATOM 1562 C ALA A 114 -4.912 -5.997 1.587 1.00 0.00 C ATOM 1563 O ALA A 114 -4.487 -6.561 0.582 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.831 -3.724 1.895 1.00 0.00 C ATOM 0 H ALA A 114 -2.314 -5.970 1.478 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.363 -5.037 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.804 -3.233 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.132 -3.168 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.458 -3.752 0.871 1.00 0.00 H new ATOM 1570 N THR A 115 -6.167 -6.118 1.986 1.00 0.00 N ATOM 1571 CA THR A 115 -7.001 -7.192 1.462 1.00 0.00 C ATOM 1572 C THR A 115 -8.484 -6.814 1.362 1.00 0.00 C ATOM 1573 O THR A 115 -9.233 -6.908 2.330 1.00 0.00 O ATOM 1574 CB THR A 115 -6.822 -8.430 2.358 1.00 0.00 C ATOM 1575 OG1 THR A 115 -8.003 -9.242 2.380 1.00 0.00 O ATOM 1576 CG2 THR A 115 -6.471 -7.991 3.776 1.00 0.00 C ATOM 0 H THR A 115 -6.626 -5.501 2.657 1.00 0.00 H new ATOM 0 HA THR A 115 -6.677 -7.400 0.442 1.00 0.00 H new ATOM 0 HB THR A 115 -6.012 -9.030 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.753 -8.719 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.345 -8.870 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.543 -7.419 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.274 -7.370 4.174 1.00 0.00 H new