USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 66:sc= 0.512 USER MOD Set 1.2: A 106 THR OG1 : rot 64:sc= 1.7 USER MOD Set 2.1: A 17 GLN : amide:sc= 0.465 K(o=0.97,f=-0.93) USER MOD Set 2.2: A 98 GLN : amide:sc= 0.504 K(o=0.97,f=-0.67) USER MOD Set 3.1: A 84 ASN : amide:sc= 1.36 K(o=2.3,f=-2.6) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 170:sc= 0.952 (180deg=0) USER MOD Set 4.1: A 42 CYS SG : rot -22:sc= -0.404 USER MOD Set 4.2: A 62 CYS SG : rot -138:sc= 0.856 USER MOD Single : A 3 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.11) USER MOD Single : A 6 SER OG : rot 74:sc= 0.723 USER MOD Single : A 7 GLN : amide:sc= -1.05! K(o=-1.1!,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0658 K(o=-0.066,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= -2.44! C(o=-2.4!,f=-5.7!) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0.979 (180deg=0.688) USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= 0.956 (180deg=-0.181) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -0.0161 (180deg=-0.129) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 0.824 (180deg=0.447) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0.033 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 50 THR OG1 : rot 62:sc= 0.261 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.12) USER MOD Single : A 64 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00305 K(o=-0.003,f=-0.79) USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -38:sc= 0.00965 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -116:sc= 0.945 (180deg=0.432) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0.23 (180deg=0.197) USER MOD Single : A 96 ASN : amide:sc= -0.202 K(o=-0.2,f=-6.2!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc=-0.000669 X(o=-0.00067,f=-0.2) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= -0.0302 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.120 1.311 2.419 1.00 25.00 N ATOM 44 CA GLY A 2 0.675 2.178 3.498 1.00 25.00 C ATOM 45 C GLY A 2 0.201 3.511 2.967 1.00 25.00 C ATOM 46 O GLY A 2 -0.810 4.052 3.422 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.133 1.694 4.047 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.491 2.334 4.203 1.00 25.00 H new ATOM 50 N GLN A 3 0.893 4.026 1.964 1.00 25.00 N ATOM 51 CA GLN A 3 0.492 5.282 1.342 1.00 25.00 C ATOM 52 C GLN A 3 -0.813 5.090 0.571 1.00 25.00 C ATOM 53 O GLN A 3 -1.689 5.943 0.601 1.00 25.00 O ATOM 54 CB GLN A 3 1.587 5.775 0.392 1.00 25.00 C ATOM 55 CG GLN A 3 2.899 6.143 1.090 1.00 25.00 C ATOM 56 CD GLN A 3 2.781 7.390 1.940 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.378 7.344 3.094 1.00 25.00 O ATOM 58 NE2 GLN A 3 3.142 8.513 1.377 1.00 25.00 N ATOM 0 H GLN A 3 1.729 3.600 1.564 1.00 25.00 H new ATOM 0 HA GLN A 3 0.340 6.026 2.124 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.786 5.001 -0.349 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.219 6.647 -0.149 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.218 5.310 1.717 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.675 6.292 0.339 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.474 8.516 0.412 1.00 25.00 H new ATOM 0 HE22 GLN A 3 3.092 9.386 1.902 1.00 25.00 H new ATOM 67 N GLU A 4 -0.952 3.954 -0.095 1.00 25.00 N ATOM 68 CA GLU A 4 -2.149 3.662 -0.888 1.00 25.00 C ATOM 69 C GLU A 4 -3.362 3.480 0.039 1.00 25.00 C ATOM 70 O GLU A 4 -4.475 3.900 -0.282 1.00 25.00 O ATOM 71 CB GLU A 4 -1.869 2.437 -1.796 1.00 25.00 C ATOM 72 CG GLU A 4 -2.593 1.110 -1.451 1.00 25.00 C ATOM 73 CD GLU A 4 -1.890 -0.129 -2.031 1.00 25.00 C ATOM 74 OE1 GLU A 4 -0.796 -0.002 -2.641 1.00 25.00 O ATOM 75 OE2 GLU A 4 -2.402 -1.246 -1.816 1.00 25.00 O ATOM 0 H GLU A 4 -0.251 3.213 -0.106 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.394 4.496 -1.545 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.133 2.708 -2.818 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.796 2.248 -1.784 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.658 1.010 -0.368 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.614 1.151 -1.829 1.00 25.00 H new ATOM 82 N LEU A 5 -3.127 2.934 1.226 1.00 25.00 N ATOM 83 CA LEU A 5 -4.185 2.734 2.212 1.00 25.00 C ATOM 84 C LEU A 5 -4.575 4.059 2.864 1.00 25.00 C ATOM 85 O LEU A 5 -5.759 4.341 3.013 1.00 25.00 O ATOM 86 CB LEU A 5 -3.732 1.709 3.259 1.00 25.00 C ATOM 87 CG LEU A 5 -3.554 0.272 2.719 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.834 -0.581 3.745 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.875 -0.390 2.346 1.00 25.00 C ATOM 0 H LEU A 5 -2.206 2.619 1.532 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.070 2.345 1.709 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.787 2.041 3.688 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.461 1.691 4.069 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.962 0.350 1.807 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.713 -1.592 3.357 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.854 -0.152 3.952 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.417 -0.613 4.665 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.685 -1.397 1.973 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.516 -0.444 3.226 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.370 0.196 1.572 1.00 25.00 H new ATOM 101 N SER A 6 -3.596 4.902 3.173 1.00 25.00 N ATOM 102 CA SER A 6 -3.860 6.269 3.654 1.00 25.00 C ATOM 103 C SER A 6 -4.649 7.108 2.644 1.00 25.00 C ATOM 104 O SER A 6 -5.377 8.017 3.023 1.00 25.00 O ATOM 105 CB SER A 6 -2.544 7.004 3.921 1.00 25.00 C ATOM 106 OG SER A 6 -1.747 6.317 4.864 1.00 25.00 O ATOM 0 H SER A 6 -2.606 4.669 3.101 1.00 25.00 H new ATOM 0 HA SER A 6 -4.448 6.157 4.565 1.00 25.00 H new ATOM 0 HB2 SER A 6 -1.992 7.113 2.988 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.755 8.009 4.286 1.00 25.00 H new ATOM 0 HG SER A 6 -1.351 5.526 4.443 1.00 25.00 H new ATOM 112 N GLN A 7 -4.491 6.820 1.359 1.00 25.00 N ATOM 113 CA GLN A 7 -5.206 7.557 0.313 1.00 25.00 C ATOM 114 C GLN A 7 -6.612 6.997 0.080 1.00 25.00 C ATOM 115 O GLN A 7 -7.468 7.670 -0.495 1.00 25.00 O ATOM 116 CB GLN A 7 -4.411 7.496 -0.995 1.00 25.00 C ATOM 117 CG GLN A 7 -3.158 8.388 -0.984 1.00 25.00 C ATOM 118 CD GLN A 7 -2.257 8.192 -2.200 1.00 25.00 C ATOM 119 OE1 GLN A 7 -1.214 8.819 -2.306 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.646 7.326 -3.104 1.00 25.00 N ATOM 0 H GLN A 7 -3.877 6.084 1.011 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.307 8.590 0.646 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.113 6.465 -1.184 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.057 7.798 -1.820 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.466 9.432 -0.935 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.584 8.183 -0.080 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -3.524 6.821 -2.982 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -2.071 7.158 -3.930 1.00 25.00 H new ATOM 129 N HIS A 8 -6.859 5.768 0.508 1.00 25.00 N ATOM 130 CA HIS A 8 -8.163 5.139 0.293 1.00 25.00 C ATOM 131 C HIS A 8 -9.159 5.565 1.369 1.00 25.00 C ATOM 132 O HIS A 8 -9.255 4.922 2.407 1.00 25.00 O ATOM 133 CB HIS A 8 -8.021 3.614 0.288 1.00 25.00 C ATOM 134 CG HIS A 8 -9.187 2.912 -0.337 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.575 1.609 -0.015 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.071 3.306 -1.290 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.628 1.281 -0.755 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.937 2.287 -1.528 1.00 25.00 N ATOM 0 H HIS A 8 -6.183 5.186 1.003 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.541 5.467 -0.675 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.112 3.343 -0.249 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.902 3.264 1.313 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.083 4.270 -1.778 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -11.146 0.334 -0.723 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -11.704 2.305 -2.201 1.00 25.00 H new ATOM 146 N GLU A 9 -9.899 6.637 1.123 1.00 25.00 N ATOM 147 CA GLU A 9 -10.821 7.201 2.127 1.00 25.00 C ATOM 148 C GLU A 9 -11.750 6.180 2.800 1.00 25.00 C ATOM 149 O GLU A 9 -11.939 6.225 4.010 1.00 25.00 O ATOM 150 CB GLU A 9 -11.649 8.369 1.541 1.00 25.00 C ATOM 151 CG GLU A 9 -12.080 8.253 0.053 1.00 25.00 C ATOM 152 CD GLU A 9 -13.192 7.237 -0.182 1.00 25.00 C ATOM 153 OE1 GLU A 9 -14.378 7.554 0.045 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.877 6.103 -0.602 1.00 25.00 O ATOM 0 H GLU A 9 -9.886 7.142 0.237 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.167 7.572 2.916 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.548 8.483 2.146 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.070 9.285 1.655 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.412 9.230 -0.298 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.213 7.976 -0.547 1.00 25.00 H new ATOM 161 N ARG A 10 -12.285 5.233 2.043 1.00 25.00 N ATOM 162 CA ARG A 10 -13.169 4.207 2.606 1.00 25.00 C ATOM 163 C ARG A 10 -12.477 3.327 3.642 1.00 25.00 C ATOM 164 O ARG A 10 -13.072 2.953 4.644 1.00 25.00 O ATOM 165 CB ARG A 10 -13.714 3.335 1.468 1.00 25.00 C ATOM 166 CG ARG A 10 -15.209 3.013 1.568 1.00 25.00 C ATOM 167 CD ARG A 10 -16.096 4.275 1.514 1.00 25.00 C ATOM 168 NE ARG A 10 -15.831 5.114 0.332 1.00 25.00 N ATOM 169 CZ ARG A 10 -16.426 5.015 -0.847 1.00 25.00 C ATOM 170 NH1 ARG A 10 -17.352 4.122 -1.103 1.00 25.00 N ATOM 171 NH2 ARG A 10 -16.079 5.847 -1.782 1.00 25.00 N ATOM 0 H ARG A 10 -12.127 5.149 1.039 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.979 4.722 3.122 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.528 3.840 0.520 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.155 2.399 1.446 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.487 2.343 0.754 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.400 2.479 2.499 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -17.144 3.976 1.513 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.934 4.865 2.416 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.122 5.840 0.431 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.642 3.466 -0.378 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -17.782 4.084 -2.027 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -15.366 6.552 -1.598 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -16.520 5.795 -2.700 1.00 25.00 H new ATOM 185 N TYR A 11 -11.213 3.021 3.409 1.00 25.00 N ATOM 186 CA TYR A 11 -10.448 2.197 4.336 1.00 25.00 C ATOM 187 C TYR A 11 -9.991 3.037 5.519 1.00 25.00 C ATOM 188 O TYR A 11 -10.025 2.590 6.661 1.00 25.00 O ATOM 189 CB TYR A 11 -9.245 1.597 3.626 1.00 25.00 C ATOM 190 CG TYR A 11 -8.408 0.717 4.516 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.926 -0.481 5.043 1.00 25.00 C ATOM 192 CD2 TYR A 11 -7.086 1.074 4.836 1.00 25.00 C ATOM 193 CE1 TYR A 11 -8.140 -1.303 5.888 1.00 25.00 C ATOM 194 CE2 TYR A 11 -6.294 0.242 5.669 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.833 -0.932 6.193 1.00 25.00 C ATOM 196 OH TYR A 11 -6.071 -1.718 7.020 1.00 25.00 O ATOM 0 H TYR A 11 -10.693 3.329 2.588 1.00 25.00 H new ATOM 0 HA TYR A 11 -11.082 1.388 4.700 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.589 1.015 2.771 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.624 2.402 3.234 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.936 -0.777 4.800 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.670 1.990 4.444 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -8.553 -2.214 6.294 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.275 0.518 5.897 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.902 -2.581 6.587 1.00 25.00 H new ATOM 206 N VAL A 12 -9.621 4.281 5.250 1.00 25.00 N ATOM 207 CA VAL A 12 -9.252 5.223 6.313 1.00 25.00 C ATOM 208 C VAL A 12 -10.418 5.380 7.293 1.00 25.00 C ATOM 209 O VAL A 12 -10.209 5.452 8.505 1.00 25.00 O ATOM 210 CB VAL A 12 -8.859 6.613 5.721 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.610 7.654 6.825 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.596 6.485 4.882 1.00 25.00 C ATOM 0 H VAL A 12 -9.566 4.667 4.308 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.386 4.824 6.841 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.694 6.949 5.106 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.339 8.607 6.372 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.516 7.779 7.418 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.798 7.315 7.469 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.330 7.460 4.474 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.781 6.118 5.505 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.771 5.785 4.065 1.00 25.00 H new ATOM 222 N GLU A 13 -11.645 5.391 6.788 1.00 25.00 N ATOM 223 CA GLU A 13 -12.818 5.500 7.632 1.00 25.00 C ATOM 224 C GLU A 13 -12.899 4.344 8.629 1.00 25.00 C ATOM 225 O GLU A 13 -13.134 4.555 9.820 1.00 25.00 O ATOM 226 CB GLU A 13 -14.064 5.545 6.748 1.00 25.00 C ATOM 227 CG GLU A 13 -15.325 5.863 7.496 1.00 25.00 C ATOM 228 CD GLU A 13 -15.277 7.237 8.150 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.969 8.227 7.451 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.424 7.321 9.389 1.00 25.00 O ATOM 0 H GLU A 13 -11.850 5.325 5.791 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.751 6.419 8.215 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.918 6.291 5.967 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.180 4.582 6.251 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -16.172 5.818 6.812 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.492 5.105 8.261 1.00 25.00 H new ATOM 237 N GLN A 14 -12.645 3.129 8.166 1.00 25.00 N ATOM 238 CA GLN A 14 -12.662 1.975 9.055 1.00 25.00 C ATOM 239 C GLN A 14 -11.460 2.043 10.012 1.00 25.00 C ATOM 240 O GLN A 14 -11.599 1.778 11.208 1.00 25.00 O ATOM 241 CB GLN A 14 -12.742 0.668 8.226 1.00 25.00 C ATOM 242 CG GLN A 14 -11.512 -0.263 8.215 1.00 25.00 C ATOM 243 CD GLN A 14 -11.217 -0.875 9.565 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.176 -0.636 10.156 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.128 -1.663 10.054 1.00 25.00 N ATOM 0 H GLN A 14 -12.427 2.917 7.192 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.553 1.983 9.683 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.592 0.093 8.592 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.963 0.941 7.194 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.674 -1.060 7.489 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.641 0.300 7.880 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.985 -1.838 9.530 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -11.985 -2.106 10.962 1.00 25.00 H new ATOM 254 N LEU A 15 -10.302 2.463 9.517 1.00 25.00 N ATOM 255 CA LEU A 15 -9.101 2.539 10.352 1.00 25.00 C ATOM 256 C LEU A 15 -9.213 3.571 11.458 1.00 25.00 C ATOM 257 O LEU A 15 -8.537 3.455 12.482 1.00 25.00 O ATOM 258 CB LEU A 15 -7.866 2.872 9.520 1.00 25.00 C ATOM 259 CG LEU A 15 -7.093 1.743 8.831 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.833 2.372 8.222 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.688 0.622 9.796 1.00 25.00 C ATOM 0 H LEU A 15 -10.165 2.755 8.549 1.00 25.00 H new ATOM 0 HA LEU A 15 -9.003 1.551 10.802 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.173 3.576 8.747 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.166 3.397 10.170 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.734 1.284 8.078 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.249 1.602 7.719 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -6.120 3.138 7.502 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.233 2.824 9.012 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.144 -0.149 9.250 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -6.051 1.030 10.581 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.581 0.187 10.244 1.00 25.00 H new ATOM 273 N LYS A 16 -10.074 4.568 11.291 1.00 25.00 N ATOM 274 CA LYS A 16 -10.285 5.559 12.350 1.00 25.00 C ATOM 275 C LYS A 16 -10.836 4.871 13.589 1.00 25.00 C ATOM 276 O LYS A 16 -10.646 5.368 14.697 1.00 25.00 O ATOM 277 CB LYS A 16 -11.233 6.676 11.900 1.00 25.00 C ATOM 278 CG LYS A 16 -10.541 7.781 11.087 1.00 25.00 C ATOM 279 CD LYS A 16 -11.487 8.948 10.772 1.00 25.00 C ATOM 280 CE LYS A 16 -12.514 8.555 9.723 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.500 9.640 9.387 1.00 25.00 N ATOM 0 H LYS A 16 -10.631 4.715 10.449 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.324 6.018 12.581 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -12.033 6.242 11.300 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.699 7.121 12.779 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.680 8.153 11.642 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.162 7.361 10.155 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -11.996 9.263 11.683 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -10.910 9.802 10.418 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.992 8.260 8.813 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -13.060 7.680 10.076 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -14.031 9.374 8.533 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -14.161 9.766 10.180 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.991 10.531 9.215 1.00 25.00 H new ATOM 295 N GLN A 17 -11.464 3.718 13.415 1.00 25.00 N ATOM 296 CA GLN A 17 -11.898 2.907 14.546 1.00 25.00 C ATOM 297 C GLN A 17 -10.735 2.040 15.041 1.00 25.00 C ATOM 298 O GLN A 17 -10.395 2.072 16.215 1.00 25.00 O ATOM 299 CB GLN A 17 -13.071 2.003 14.150 1.00 25.00 C ATOM 300 CG GLN A 17 -14.284 2.752 13.608 1.00 25.00 C ATOM 301 CD GLN A 17 -15.380 1.809 13.157 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.659 0.810 13.803 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.992 2.113 12.042 1.00 25.00 N ATOM 0 H GLN A 17 -11.685 3.321 12.502 1.00 25.00 H new ATOM 0 HA GLN A 17 -12.224 3.577 15.342 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.730 1.294 13.396 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.376 1.421 15.020 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.673 3.417 14.379 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.978 3.379 12.770 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.731 2.956 11.530 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.730 1.507 11.684 1.00 25.00 H new ATOM 312 N ALA A 18 -10.134 1.266 14.143 1.00 25.00 N ATOM 313 CA ALA A 18 -9.093 0.299 14.522 1.00 25.00 C ATOM 314 C ALA A 18 -7.858 0.910 15.214 1.00 25.00 C ATOM 315 O ALA A 18 -7.351 0.345 16.188 1.00 25.00 O ATOM 316 CB ALA A 18 -8.665 -0.507 13.294 1.00 25.00 C ATOM 0 H ALA A 18 -10.346 1.285 13.145 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.550 -0.347 15.272 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.894 -1.222 13.579 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.525 -1.042 12.892 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -8.271 0.168 12.535 1.00 25.00 H new ATOM 322 N LEU A 19 -7.380 2.056 14.739 1.00 25.00 N ATOM 323 CA LEU A 19 -6.222 2.704 15.372 1.00 25.00 C ATOM 324 C LEU A 19 -6.577 3.053 16.827 1.00 25.00 C ATOM 325 O LEU A 19 -5.752 2.923 17.731 1.00 25.00 O ATOM 326 CB LEU A 19 -5.794 3.983 14.612 1.00 25.00 C ATOM 327 CG LEU A 19 -4.485 3.898 13.786 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.671 3.230 12.413 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.886 5.293 13.558 1.00 25.00 C ATOM 0 H LEU A 19 -7.763 2.552 13.934 1.00 25.00 H new ATOM 0 HA LEU A 19 -5.382 2.010 15.344 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.603 4.265 13.939 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.687 4.790 15.337 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.813 3.279 14.380 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.716 3.204 11.889 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -5.038 2.213 12.550 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.392 3.799 11.826 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.969 5.204 12.976 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.601 5.912 13.016 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.662 5.755 14.520 1.00 25.00 H new ATOM 341 N LYS A 20 -7.819 3.467 17.056 1.00 25.00 N ATOM 342 CA LYS A 20 -8.265 3.841 18.403 1.00 25.00 C ATOM 343 C LYS A 20 -8.538 2.652 19.310 1.00 25.00 C ATOM 344 O LYS A 20 -8.279 2.737 20.498 1.00 25.00 O ATOM 345 CB LYS A 20 -9.541 4.681 18.342 1.00 25.00 C ATOM 346 CG LYS A 20 -9.350 6.052 17.734 1.00 25.00 C ATOM 347 CD LYS A 20 -10.664 6.827 17.792 1.00 25.00 C ATOM 348 CE LYS A 20 -10.543 8.197 17.140 1.00 25.00 C ATOM 349 NZ LYS A 20 -10.266 8.064 15.674 1.00 25.00 N ATOM 0 H LYS A 20 -8.534 3.553 16.334 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.436 4.410 18.824 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -10.291 4.141 17.765 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.937 4.795 19.351 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.573 6.594 18.272 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.017 5.959 16.700 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.446 6.255 17.292 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.970 6.945 18.831 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.464 8.760 17.291 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.742 8.762 17.616 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -9.276 8.320 15.483 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -10.433 7.081 15.377 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -10.896 8.698 15.143 1.00 25.00 H new ATOM 363 N THR A 21 -9.067 1.558 18.779 1.00 25.00 N ATOM 364 CA THR A 21 -9.414 0.406 19.624 1.00 25.00 C ATOM 365 C THR A 21 -8.180 -0.265 20.215 1.00 25.00 C ATOM 366 O THR A 21 -8.253 -0.859 21.281 1.00 25.00 O ATOM 367 CB THR A 21 -10.230 -0.654 18.852 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.601 -0.926 17.599 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.640 -0.161 18.576 1.00 25.00 C ATOM 0 H THR A 21 -9.265 1.437 17.786 1.00 25.00 H new ATOM 0 HA THR A 21 -10.023 0.810 20.433 1.00 25.00 H new ATOM 0 HB THR A 21 -10.274 -1.554 19.465 1.00 25.00 H new ATOM 0 HG1 THR A 21 -10.120 -1.600 17.112 1.00 25.00 H new ATOM 0 HG21 THR A 21 -12.193 -0.926 18.031 1.00 25.00 H new ATOM 0 HG22 THR A 21 -12.144 0.048 19.520 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.597 0.750 17.978 1.00 25.00 H new ATOM 377 N ARG A 22 -7.032 -0.134 19.560 1.00 25.00 N ATOM 378 CA ARG A 22 -5.785 -0.662 20.130 1.00 25.00 C ATOM 379 C ARG A 22 -5.318 0.241 21.275 1.00 25.00 C ATOM 380 O ARG A 22 -4.540 -0.173 22.122 1.00 25.00 O ATOM 381 CB ARG A 22 -4.702 -0.779 19.050 1.00 25.00 C ATOM 382 CG ARG A 22 -3.805 -2.021 19.198 1.00 25.00 C ATOM 383 CD ARG A 22 -2.599 -1.776 20.112 1.00 25.00 C ATOM 384 NE ARG A 22 -2.165 -3.005 20.799 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.548 -3.401 22.009 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.375 -2.711 22.755 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.088 -4.519 22.484 1.00 25.00 N ATOM 0 H ARG A 22 -6.932 0.322 18.653 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.971 -1.661 20.524 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -5.180 -0.803 18.071 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.077 0.114 19.078 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -4.396 -2.845 19.597 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.453 -2.329 18.213 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -1.772 -1.380 19.522 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.854 -1.018 20.853 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.510 -3.608 20.300 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.755 -1.828 22.413 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -3.639 -3.057 23.677 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -1.441 -5.081 21.930 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -2.373 -4.835 23.411 1.00 25.00 H new ATOM 401 N GLY A 23 -5.781 1.482 21.284 1.00 25.00 N ATOM 402 CA GLY A 23 -5.371 2.433 22.306 1.00 25.00 C ATOM 403 C GLY A 23 -3.981 2.970 22.032 1.00 25.00 C ATOM 404 O GLY A 23 -3.335 3.549 22.905 1.00 25.00 O ATOM 0 H GLY A 23 -6.438 1.853 20.598 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -6.081 3.259 22.343 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -5.391 1.951 23.283 1.00 25.00 H new ATOM 408 N VAL A 24 -3.499 2.758 20.816 1.00 25.00 N ATOM 409 CA VAL A 24 -2.157 3.185 20.449 1.00 25.00 C ATOM 410 C VAL A 24 -2.200 4.651 20.008 1.00 25.00 C ATOM 411 O VAL A 24 -2.946 5.041 19.109 1.00 25.00 O ATOM 412 CB VAL A 24 -1.524 2.228 19.375 1.00 25.00 C ATOM 413 CG1 VAL A 24 -2.347 2.181 18.067 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.075 2.626 19.091 1.00 25.00 C ATOM 0 H VAL A 24 -4.016 2.294 20.069 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.498 3.119 21.315 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.539 1.221 19.793 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.867 1.506 17.359 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -3.354 1.824 18.283 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -2.402 3.180 17.635 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.348 1.953 18.345 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.046 3.649 18.715 1.00 25.00 H new ATOM 0 HG23 VAL A 24 0.507 2.561 20.010 1.00 25.00 H new ATOM 424 N LYS A 25 -1.430 5.483 20.693 1.00 25.00 N ATOM 425 CA LYS A 25 -1.415 6.917 20.401 1.00 25.00 C ATOM 426 C LYS A 25 -0.417 7.226 19.284 1.00 25.00 C ATOM 427 O LYS A 25 0.714 7.629 19.535 1.00 25.00 O ATOM 428 CB LYS A 25 -1.071 7.711 21.677 1.00 25.00 C ATOM 429 CG LYS A 25 0.059 7.103 22.533 1.00 25.00 C ATOM 430 CD LYS A 25 0.446 8.028 23.674 1.00 25.00 C ATOM 431 CE LYS A 25 1.642 7.459 24.433 1.00 25.00 C ATOM 432 NZ LYS A 25 2.066 8.362 25.555 1.00 25.00 N ATOM 0 H LYS A 25 -0.810 5.197 21.451 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.406 7.218 20.061 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.787 8.724 21.392 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.968 7.792 22.290 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -0.263 6.142 22.934 1.00 25.00 H new ATOM 0 HG3 LYS A 25 0.930 6.911 21.906 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.691 9.016 23.284 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.398 8.153 24.352 1.00 25.00 H new ATOM 0 HE2 LYS A 25 1.387 6.477 24.832 1.00 25.00 H new ATOM 0 HE3 LYS A 25 2.476 7.316 23.745 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 2.881 7.944 26.048 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 2.333 9.291 25.171 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 1.278 8.478 26.224 1.00 25.00 H new ATOM 446 N VAL A 26 -0.871 7.081 18.049 1.00 25.00 N ATOM 447 CA VAL A 26 -0.061 7.390 16.868 1.00 25.00 C ATOM 448 C VAL A 26 -0.951 8.021 15.807 1.00 25.00 C ATOM 449 O VAL A 26 -2.175 7.859 15.820 1.00 25.00 O ATOM 450 CB VAL A 26 0.609 6.113 16.251 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.715 5.575 17.167 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.431 5.019 15.972 1.00 25.00 C ATOM 0 H VAL A 26 -1.810 6.747 17.831 1.00 25.00 H new ATOM 0 HA VAL A 26 0.730 8.070 17.185 1.00 25.00 H new ATOM 0 HB VAL A 26 1.059 6.406 15.302 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.163 4.690 16.715 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.480 6.340 17.302 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.290 5.313 18.136 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.064 4.147 15.545 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.922 4.738 16.904 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.175 5.395 15.269 1.00 25.00 H new ATOM 462 N LYS A 27 -0.331 8.734 14.882 1.00 25.00 N ATOM 463 CA LYS A 27 -1.032 9.334 13.751 1.00 25.00 C ATOM 464 C LYS A 27 -1.108 8.262 12.668 1.00 25.00 C ATOM 465 O LYS A 27 -0.313 7.335 12.662 1.00 25.00 O ATOM 466 CB LYS A 27 -0.214 10.543 13.276 1.00 25.00 C ATOM 467 CG LYS A 27 -0.916 11.528 12.361 1.00 25.00 C ATOM 468 CD LYS A 27 0.027 12.702 12.098 1.00 25.00 C ATOM 469 CE LYS A 27 -0.615 13.776 11.231 1.00 25.00 C ATOM 470 NZ LYS A 27 0.353 14.908 10.998 1.00 25.00 N ATOM 0 H LYS A 27 0.673 8.915 14.891 1.00 25.00 H new ATOM 0 HA LYS A 27 -2.036 9.674 14.006 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.133 11.085 14.156 1.00 25.00 H new ATOM 0 HB3 LYS A 27 0.672 10.172 12.760 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -1.190 11.045 11.423 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -1.840 11.880 12.820 1.00 25.00 H new ATOM 0 HD2 LYS A 27 0.332 13.140 13.048 1.00 25.00 H new ATOM 0 HD3 LYS A 27 0.931 12.337 11.610 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -0.921 13.348 10.276 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -1.516 14.153 11.715 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -0.098 15.634 10.405 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.624 15.326 11.911 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.201 14.546 10.517 1.00 25.00 H new ATOM 484 N PHE A 28 -2.008 8.419 11.708 1.00 25.00 N ATOM 485 CA PHE A 28 -2.063 7.500 10.566 1.00 25.00 C ATOM 486 C PHE A 28 -0.750 7.527 9.811 1.00 25.00 C ATOM 487 O PHE A 28 -0.274 6.499 9.365 1.00 25.00 O ATOM 488 CB PHE A 28 -3.156 7.940 9.588 1.00 25.00 C ATOM 489 CG PHE A 28 -4.515 7.399 9.902 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.222 7.812 11.050 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.116 6.485 9.022 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.514 7.302 11.316 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.397 5.981 9.276 1.00 25.00 C ATOM 494 CZ PHE A 28 -7.099 6.387 10.421 1.00 25.00 C ATOM 0 H PHE A 28 -2.705 9.163 11.690 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.267 6.501 10.951 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.204 9.029 9.580 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.876 7.626 8.582 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.774 8.522 11.730 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.583 6.167 8.138 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.049 7.613 12.201 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.846 5.278 8.589 1.00 25.00 H new ATOM 0 HZ PHE A 28 -8.087 5.998 10.615 1.00 25.00 H new ATOM 504 N ALA A 29 -0.162 8.708 9.699 1.00 25.00 N ATOM 505 CA ALA A 29 1.108 8.870 9.006 1.00 25.00 C ATOM 506 C ALA A 29 2.180 8.014 9.670 1.00 25.00 C ATOM 507 O ALA A 29 3.039 7.461 9.010 1.00 25.00 O ATOM 508 CB ALA A 29 1.527 10.340 9.044 1.00 25.00 C ATOM 0 H ALA A 29 -0.546 9.572 10.081 1.00 25.00 H new ATOM 0 HA ALA A 29 0.992 8.551 7.970 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.478 10.461 8.525 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.766 10.948 8.554 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.636 10.661 10.080 1.00 25.00 H new ATOM 514 N ASP A 30 2.119 7.939 10.988 1.00 25.00 N ATOM 515 CA ASP A 30 3.134 7.240 11.760 1.00 25.00 C ATOM 516 C ASP A 30 2.970 5.742 11.567 1.00 25.00 C ATOM 517 O ASP A 30 3.943 5.008 11.523 1.00 25.00 O ATOM 518 CB ASP A 30 2.989 7.538 13.258 1.00 25.00 C ATOM 519 CG ASP A 30 2.968 9.026 13.584 1.00 25.00 C ATOM 520 OD1 ASP A 30 3.328 9.874 12.738 1.00 25.00 O ATOM 521 OD2 ASP A 30 2.457 9.347 14.681 1.00 25.00 O ATOM 0 H ASP A 30 1.375 8.355 11.548 1.00 25.00 H new ATOM 0 HA ASP A 30 4.111 7.578 11.414 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.069 7.081 13.623 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.813 7.068 13.795 1.00 25.00 H new ATOM 526 N LEU A 31 1.724 5.286 11.497 1.00 25.00 N ATOM 527 CA LEU A 31 1.453 3.852 11.411 1.00 25.00 C ATOM 528 C LEU A 31 1.564 3.298 9.998 1.00 25.00 C ATOM 529 O LEU A 31 2.301 2.344 9.752 1.00 25.00 O ATOM 530 CB LEU A 31 0.078 3.514 11.993 1.00 25.00 C ATOM 531 CG LEU A 31 0.143 2.327 12.979 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.222 2.077 13.590 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.635 1.040 12.317 1.00 25.00 C ATOM 0 H LEU A 31 0.894 5.878 11.498 1.00 25.00 H new ATOM 0 HA LEU A 31 2.230 3.371 12.005 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.324 4.389 12.504 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.610 3.275 11.182 1.00 25.00 H new ATOM 0 HG LEU A 31 0.860 2.603 13.752 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.162 1.238 14.283 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.549 2.968 14.126 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.937 1.845 12.801 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.661 0.238 13.055 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -0.041 0.766 11.507 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.636 1.197 11.916 1.00 25.00 H new ATOM 545 N LEU A 32 0.841 3.894 9.063 1.00 25.00 N ATOM 546 CA LEU A 32 0.870 3.410 7.676 1.00 25.00 C ATOM 547 C LEU A 32 2.251 3.528 7.043 1.00 25.00 C ATOM 548 O LEU A 32 2.566 2.786 6.127 1.00 25.00 O ATOM 549 CB LEU A 32 -0.135 4.148 6.790 1.00 25.00 C ATOM 550 CG LEU A 32 -1.617 3.727 6.807 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.833 2.222 6.741 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.315 4.303 7.992 1.00 25.00 C ATOM 0 H LEU A 32 0.235 4.699 9.225 1.00 25.00 H new ATOM 0 HA LEU A 32 0.598 2.356 7.736 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.093 5.204 7.058 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.216 4.066 5.761 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.051 4.133 5.893 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.901 2.007 6.757 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.398 1.832 5.821 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.354 1.748 7.598 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.360 3.993 7.985 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.837 3.946 8.905 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.259 5.391 7.954 1.00 25.00 H new ATOM 564 N LYS A 33 3.106 4.393 7.567 1.00 25.00 N ATOM 565 CA LYS A 33 4.498 4.458 7.084 1.00 25.00 C ATOM 566 C LYS A 33 5.151 3.075 7.143 1.00 25.00 C ATOM 567 O LYS A 33 5.911 2.692 6.259 1.00 25.00 O ATOM 568 CB LYS A 33 5.318 5.442 7.926 1.00 25.00 C ATOM 569 CG LYS A 33 6.786 5.503 7.526 1.00 25.00 C ATOM 570 CD LYS A 33 7.539 6.565 8.309 1.00 25.00 C ATOM 571 CE LYS A 33 9.031 6.533 7.968 1.00 25.00 C ATOM 572 NZ LYS A 33 9.289 6.801 6.505 1.00 25.00 N ATOM 0 H LYS A 33 2.878 5.052 8.312 1.00 25.00 H new ATOM 0 HA LYS A 33 4.478 4.803 6.050 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.883 6.437 7.835 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.247 5.158 8.976 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.249 4.531 7.693 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.864 5.714 6.459 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.130 7.550 8.082 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.402 6.402 9.378 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.555 7.276 8.569 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.442 5.559 8.235 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.310 6.921 6.349 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.944 6.000 5.939 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.791 7.668 6.218 1.00 25.00 H new ATOM 586 N PHE A 34 4.842 2.323 8.182 1.00 25.00 N ATOM 587 CA PHE A 34 5.419 0.999 8.360 1.00 25.00 C ATOM 588 C PHE A 34 4.721 -0.063 7.520 1.00 25.00 C ATOM 589 O PHE A 34 5.340 -1.046 7.154 1.00 25.00 O ATOM 590 CB PHE A 34 5.441 0.653 9.842 1.00 25.00 C ATOM 591 CG PHE A 34 6.486 1.426 10.588 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.196 2.699 11.099 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.788 0.910 10.732 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.189 3.469 11.740 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.795 1.669 11.373 1.00 25.00 C ATOM 596 CZ PHE A 34 8.492 2.958 11.874 1.00 25.00 C ATOM 0 H PHE A 34 4.194 2.604 8.918 1.00 25.00 H new ATOM 0 HA PHE A 34 6.445 1.017 7.994 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.462 0.857 10.276 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.627 -0.414 9.962 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.197 3.096 11.000 1.00 25.00 H new ATOM 0 HD2 PHE A 34 8.020 -0.073 10.350 1.00 25.00 H new ATOM 0 HE1 PHE A 34 6.949 4.448 12.127 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.792 1.267 11.480 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.258 3.546 12.357 1.00 25.00 H new ATOM 606 N PHE A 35 3.469 0.166 7.146 1.00 25.00 N ATOM 607 CA PHE A 35 2.771 -0.742 6.222 1.00 25.00 C ATOM 608 C PHE A 35 3.457 -0.642 4.857 1.00 25.00 C ATOM 609 O PHE A 35 3.547 -1.615 4.117 1.00 25.00 O ATOM 610 CB PHE A 35 1.303 -0.339 6.032 1.00 25.00 C ATOM 611 CG PHE A 35 0.370 -0.769 7.141 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.731 -0.707 8.506 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.920 -1.213 6.807 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.191 -1.095 9.509 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.848 -1.577 7.803 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.481 -1.524 9.154 1.00 25.00 C ATOM 0 H PHE A 35 2.914 0.962 7.460 1.00 25.00 H new ATOM 0 HA PHE A 35 2.808 -1.750 6.635 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.250 0.745 5.934 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.945 -0.762 5.093 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.715 -0.362 8.786 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.206 -1.277 5.767 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.098 -1.061 10.549 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.841 -1.897 7.525 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.187 -1.812 9.919 1.00 25.00 H new ATOM 626 N ASP A 36 3.929 0.555 4.534 1.00 25.00 N ATOM 627 CA ASP A 36 4.599 0.814 3.257 1.00 25.00 C ATOM 628 C ASP A 36 5.933 0.072 3.198 1.00 25.00 C ATOM 629 O ASP A 36 6.319 -0.457 2.165 1.00 25.00 O ATOM 630 CB ASP A 36 4.842 2.323 3.111 1.00 25.00 C ATOM 631 CG ASP A 36 4.497 2.844 1.727 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.381 2.545 1.240 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.269 3.655 1.186 1.00 25.00 O ATOM 0 H ASP A 36 3.861 1.371 5.142 1.00 25.00 H new ATOM 0 HA ASP A 36 3.966 0.461 2.443 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.247 2.856 3.853 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.888 2.540 3.325 1.00 25.00 H new ATOM 638 N PHE A 37 6.613 0.012 4.335 1.00 25.00 N ATOM 639 CA PHE A 37 7.916 -0.646 4.432 1.00 25.00 C ATOM 640 C PHE A 37 7.840 -2.146 4.135 1.00 25.00 C ATOM 641 O PHE A 37 8.717 -2.697 3.479 1.00 25.00 O ATOM 642 CB PHE A 37 8.491 -0.417 5.837 1.00 25.00 C ATOM 643 CG PHE A 37 9.879 -0.970 6.031 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.970 -0.444 5.313 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.107 -2.019 6.944 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.280 -0.956 5.502 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.415 -2.534 7.147 1.00 25.00 C ATOM 648 CZ PHE A 37 12.500 -2.001 6.422 1.00 25.00 C ATOM 0 H PHE A 37 6.283 0.414 5.212 1.00 25.00 H new ATOM 0 HA PHE A 37 8.568 -0.207 3.677 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.506 0.653 6.042 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.824 -0.872 6.569 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.808 0.359 4.610 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.278 -2.436 7.496 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.107 -0.546 4.942 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.578 -3.333 7.856 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.496 -2.392 6.571 1.00 25.00 H new ATOM 658 N VAL A 38 6.784 -2.810 4.588 1.00 25.00 N ATOM 659 CA VAL A 38 6.661 -4.257 4.363 1.00 25.00 C ATOM 660 C VAL A 38 6.474 -4.571 2.894 1.00 25.00 C ATOM 661 O VAL A 38 6.811 -5.657 2.441 1.00 25.00 O ATOM 662 CB VAL A 38 5.497 -4.920 5.190 1.00 25.00 C ATOM 663 CG1 VAL A 38 5.056 -4.028 6.317 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.264 -5.283 4.337 1.00 25.00 C ATOM 0 H VAL A 38 6.012 -2.387 5.103 1.00 25.00 H new ATOM 0 HA VAL A 38 7.599 -4.686 4.715 1.00 25.00 H new ATOM 0 HB VAL A 38 5.917 -5.847 5.581 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.251 -4.512 6.870 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.897 -3.844 6.986 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.700 -3.080 5.913 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.502 -5.735 4.972 1.00 25.00 H new ATOM 0 HG22 VAL A 38 3.863 -4.381 3.875 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.555 -5.990 3.560 1.00 25.00 H new ATOM 674 N LYS A 39 5.920 -3.622 2.153 1.00 25.00 N ATOM 675 CA LYS A 39 5.618 -3.852 0.744 1.00 25.00 C ATOM 676 C LYS A 39 6.907 -4.116 -0.029 1.00 25.00 C ATOM 677 O LYS A 39 6.935 -4.931 -0.942 1.00 25.00 O ATOM 678 CB LYS A 39 4.875 -2.656 0.129 1.00 25.00 C ATOM 679 CG LYS A 39 4.146 -3.005 -1.176 1.00 25.00 C ATOM 680 CD LYS A 39 3.490 -1.785 -1.826 1.00 25.00 C ATOM 681 CE LYS A 39 2.514 -2.211 -2.945 1.00 25.00 C ATOM 682 NZ LYS A 39 1.698 -1.059 -3.507 1.00 25.00 N ATOM 0 H LYS A 39 5.672 -2.694 2.497 1.00 25.00 H new ATOM 0 HA LYS A 39 4.968 -4.725 0.677 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.153 -2.275 0.851 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.587 -1.854 -0.063 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.854 -3.449 -1.876 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.384 -3.758 -0.973 1.00 25.00 H new ATOM 0 HD2 LYS A 39 2.954 -1.210 -1.071 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.258 -1.131 -2.238 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.080 -2.674 -3.754 1.00 25.00 H new ATOM 0 HE3 LYS A 39 1.836 -2.970 -2.555 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 1.444 -1.263 -4.495 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 0.832 -0.940 -2.944 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 2.259 -0.184 -3.468 1.00 25.00 H new ATOM 696 N ASP A 40 7.966 -3.426 0.367 1.00 25.00 N ATOM 697 CA ASP A 40 9.281 -3.579 -0.257 1.00 25.00 C ATOM 698 C ASP A 40 9.939 -4.903 0.126 1.00 25.00 C ATOM 699 O ASP A 40 10.351 -5.674 -0.733 1.00 25.00 O ATOM 700 CB ASP A 40 10.188 -2.430 0.191 1.00 25.00 C ATOM 701 CG ASP A 40 11.581 -2.528 -0.397 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.765 -2.129 -1.566 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.502 -2.964 0.329 1.00 25.00 O ATOM 0 H ASP A 40 7.943 -2.746 1.127 1.00 25.00 H new ATOM 0 HA ASP A 40 9.142 -3.566 -1.338 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.739 -1.481 -0.103 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.256 -2.428 1.279 1.00 25.00 H new ATOM 708 N THR A 41 10.027 -5.168 1.423 1.00 25.00 N ATOM 709 CA THR A 41 10.705 -6.369 1.917 1.00 25.00 C ATOM 710 C THR A 41 9.956 -7.658 1.575 1.00 25.00 C ATOM 711 O THR A 41 10.538 -8.736 1.474 1.00 25.00 O ATOM 712 CB THR A 41 10.856 -6.291 3.439 1.00 25.00 C ATOM 713 OG1 THR A 41 10.991 -4.921 3.826 1.00 25.00 O ATOM 714 CG2 THR A 41 12.078 -7.039 3.902 1.00 25.00 C ATOM 0 H THR A 41 9.640 -4.571 2.154 1.00 25.00 H new ATOM 0 HA THR A 41 11.677 -6.401 1.424 1.00 25.00 H new ATOM 0 HB THR A 41 9.973 -6.740 3.894 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.245 -4.872 4.771 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.160 -6.966 4.987 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.994 -8.087 3.614 1.00 25.00 H new ATOM 0 HG23 THR A 41 12.966 -6.606 3.441 1.00 25.00 H new ATOM 722 N CYS A 42 8.651 -7.539 1.418 1.00 25.00 N ATOM 723 CA CYS A 42 7.794 -8.665 1.062 1.00 25.00 C ATOM 724 C CYS A 42 6.900 -8.315 -0.129 1.00 25.00 C ATOM 725 O CYS A 42 5.705 -8.072 0.045 1.00 25.00 O ATOM 726 CB CYS A 42 6.914 -9.044 2.253 1.00 25.00 C ATOM 727 SG CYS A 42 7.848 -9.710 3.629 1.00 25.00 S ATOM 0 H CYS A 42 8.150 -6.658 1.533 1.00 25.00 H new ATOM 0 HA CYS A 42 8.433 -9.505 0.789 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.364 -8.164 2.586 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.175 -9.779 1.933 1.00 25.00 H new ATOM 0 HG CYS A 42 8.990 -10.161 3.201 1.00 25.00 H new ATOM 733 N PRO A 43 7.447 -8.336 -1.359 1.00 25.00 N ATOM 734 CA PRO A 43 6.620 -7.968 -2.517 1.00 25.00 C ATOM 735 C PRO A 43 5.568 -9.024 -2.852 1.00 25.00 C ATOM 736 O PRO A 43 4.567 -8.749 -3.507 1.00 25.00 O ATOM 737 CB PRO A 43 7.652 -7.824 -3.636 1.00 25.00 C ATOM 738 CG PRO A 43 8.726 -8.787 -3.266 1.00 25.00 C ATOM 739 CD PRO A 43 8.823 -8.686 -1.764 1.00 25.00 C ATOM 0 HA PRO A 43 6.035 -7.065 -2.343 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.221 -8.062 -4.609 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.034 -6.805 -3.697 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.476 -9.800 -3.580 1.00 25.00 H new ATOM 0 HG3 PRO A 43 9.672 -8.529 -3.743 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.147 -9.626 -1.317 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.539 -7.924 -1.457 1.00 25.00 H new ATOM 747 N TRP A 44 5.780 -10.229 -2.350 1.00 25.00 N ATOM 748 CA TRP A 44 4.834 -11.323 -2.516 1.00 25.00 C ATOM 749 C TRP A 44 3.614 -11.159 -1.607 1.00 25.00 C ATOM 750 O TRP A 44 2.567 -11.745 -1.853 1.00 25.00 O ATOM 751 CB TRP A 44 5.539 -12.641 -2.218 1.00 25.00 C ATOM 752 CG TRP A 44 6.613 -12.471 -1.194 1.00 25.00 C ATOM 753 CD1 TRP A 44 6.445 -12.208 0.113 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.039 -12.517 -1.398 1.00 25.00 C ATOM 755 NE1 TRP A 44 7.639 -12.095 0.768 1.00 25.00 N ATOM 756 CE2 TRP A 44 8.651 -12.271 -0.134 1.00 25.00 C ATOM 757 CE3 TRP A 44 8.863 -12.724 -2.523 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.047 -12.225 0.033 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.274 -12.679 -2.359 1.00 25.00 C ATOM 760 CH2 TRP A 44 10.848 -12.429 -1.077 1.00 25.00 C ATOM 0 H TRP A 44 6.612 -10.478 -1.816 1.00 25.00 H new ATOM 0 HA TRP A 44 4.475 -11.316 -3.545 1.00 25.00 H new ATOM 0 HB2 TRP A 44 4.811 -13.372 -1.865 1.00 25.00 H new ATOM 0 HB3 TRP A 44 5.971 -13.039 -3.136 1.00 25.00 H new ATOM 0 HD1 TRP A 44 5.482 -12.099 0.589 1.00 25.00 H new ATOM 0 HE1 TRP A 44 7.756 -11.910 1.764 1.00 25.00 H new ATOM 0 HE3 TRP A 44 8.429 -12.914 -3.494 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 10.483 -12.035 1.003 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 10.917 -12.835 -3.212 1.00 25.00 H new ATOM 0 HH2 TRP A 44 11.922 -12.399 -0.971 1.00 25.00 H new ATOM 771 N PHE A 45 3.730 -10.348 -0.563 1.00 25.00 N ATOM 772 CA PHE A 45 2.612 -10.161 0.363 1.00 25.00 C ATOM 773 C PHE A 45 1.425 -9.447 -0.319 1.00 25.00 C ATOM 774 O PHE A 45 0.313 -9.992 -0.333 1.00 25.00 O ATOM 775 CB PHE A 45 3.072 -9.433 1.634 1.00 25.00 C ATOM 776 CG PHE A 45 2.062 -9.460 2.745 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.094 -8.446 2.857 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.081 -10.496 3.699 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.149 -8.463 3.909 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.140 -10.524 4.758 1.00 25.00 C ATOM 781 CZ PHE A 45 0.178 -9.501 4.865 1.00 25.00 C ATOM 0 H PHE A 45 4.570 -9.816 -0.335 1.00 25.00 H new ATOM 0 HA PHE A 45 2.253 -11.146 0.663 1.00 25.00 H new ATOM 0 HB2 PHE A 45 3.999 -9.886 1.986 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.299 -8.396 1.386 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.072 -7.646 2.132 1.00 25.00 H new ATOM 0 HD2 PHE A 45 2.822 -11.278 3.622 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.594 -7.683 3.981 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.160 -11.327 5.480 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.535 -9.511 5.676 1.00 25.00 H new ATOM 791 N PRO A 46 1.642 -8.265 -0.950 1.00 25.00 N ATOM 792 CA PRO A 46 0.465 -7.739 -1.650 1.00 25.00 C ATOM 793 C PRO A 46 0.096 -8.526 -2.910 1.00 25.00 C ATOM 794 O PRO A 46 -1.051 -8.514 -3.325 1.00 25.00 O ATOM 795 CB PRO A 46 0.897 -6.316 -2.016 1.00 25.00 C ATOM 796 CG PRO A 46 2.344 -6.425 -2.209 1.00 25.00 C ATOM 797 CD PRO A 46 2.788 -7.343 -1.105 1.00 25.00 C ATOM 0 HA PRO A 46 -0.429 -7.799 -1.030 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.399 -5.968 -2.921 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.652 -5.608 -1.224 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.587 -6.834 -3.190 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.831 -5.452 -2.140 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.701 -7.877 -1.368 1.00 25.00 H new ATOM 0 HD3 PRO A 46 2.992 -6.796 -0.184 1.00 25.00 H new ATOM 805 N GLN A 47 1.066 -9.214 -3.503 1.00 25.00 N ATOM 806 CA GLN A 47 0.835 -9.981 -4.726 1.00 25.00 C ATOM 807 C GLN A 47 -0.146 -11.127 -4.489 1.00 25.00 C ATOM 808 O GLN A 47 -1.045 -11.362 -5.289 1.00 25.00 O ATOM 809 CB GLN A 47 2.169 -10.536 -5.230 1.00 25.00 C ATOM 810 CG GLN A 47 2.105 -11.200 -6.593 1.00 25.00 C ATOM 811 CD GLN A 47 3.465 -11.690 -7.041 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.161 -12.377 -6.312 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.853 -11.330 -8.237 1.00 25.00 N ATOM 0 H GLN A 47 2.024 -9.257 -3.156 1.00 25.00 H new ATOM 0 HA GLN A 47 0.398 -9.318 -5.473 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.893 -9.722 -5.271 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.543 -11.260 -4.506 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.410 -12.039 -6.557 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.714 -10.493 -7.324 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.244 -10.755 -8.819 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.764 -11.624 -8.588 1.00 25.00 H new ATOM 822 N GLU A 48 0.017 -11.835 -3.382 1.00 25.00 N ATOM 823 CA GLU A 48 -0.889 -12.935 -3.056 1.00 25.00 C ATOM 824 C GLU A 48 -2.175 -12.389 -2.429 1.00 25.00 C ATOM 825 O GLU A 48 -3.215 -13.056 -2.430 1.00 25.00 O ATOM 826 CB GLU A 48 -0.202 -13.933 -2.121 1.00 25.00 C ATOM 827 CG GLU A 48 0.968 -14.672 -2.792 1.00 25.00 C ATOM 828 CD GLU A 48 1.560 -15.745 -1.894 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.987 -16.856 -1.837 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.506 -15.450 -1.131 1.00 25.00 O ATOM 0 H GLU A 48 0.757 -11.674 -2.699 1.00 25.00 H new ATOM 0 HA GLU A 48 -1.152 -13.461 -3.974 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.165 -13.405 -1.241 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.934 -14.662 -1.774 1.00 25.00 H new ATOM 0 HG2 GLU A 48 0.623 -15.127 -3.720 1.00 25.00 H new ATOM 0 HG3 GLU A 48 1.744 -13.954 -3.058 1.00 25.00 H new ATOM 837 N GLY A 49 -2.117 -11.162 -1.922 1.00 25.00 N ATOM 838 CA GLY A 49 -3.305 -10.499 -1.402 1.00 25.00 C ATOM 839 C GLY A 49 -3.967 -11.239 -0.260 1.00 25.00 C ATOM 840 O GLY A 49 -5.180 -11.228 -0.149 1.00 25.00 O ATOM 0 H GLY A 49 -1.262 -10.609 -1.861 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.033 -9.499 -1.065 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.026 -10.378 -2.211 1.00 25.00 H new ATOM 844 N THR A 50 -3.188 -11.937 0.550 1.00 25.00 N ATOM 845 CA THR A 50 -3.750 -12.758 1.622 1.00 25.00 C ATOM 846 C THR A 50 -3.114 -12.370 2.947 1.00 25.00 C ATOM 847 O THR A 50 -1.890 -12.285 3.058 1.00 25.00 O ATOM 848 CB THR A 50 -3.519 -14.251 1.342 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.005 -14.579 0.037 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.248 -15.131 2.356 1.00 25.00 C ATOM 0 H THR A 50 -2.170 -11.955 0.491 1.00 25.00 H new ATOM 0 HA THR A 50 -4.825 -12.583 1.671 1.00 25.00 H new ATOM 0 HB THR A 50 -2.447 -14.435 1.415 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.508 -14.068 -0.635 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.062 -16.180 2.127 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.884 -14.908 3.359 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.319 -14.933 2.306 1.00 25.00 H new ATOM 858 N ILE A 51 -3.950 -12.104 3.939 1.00 25.00 N ATOM 859 CA ILE A 51 -3.507 -11.581 5.227 1.00 25.00 C ATOM 860 C ILE A 51 -3.946 -12.505 6.359 1.00 25.00 C ATOM 861 O ILE A 51 -5.103 -12.535 6.779 1.00 25.00 O ATOM 862 CB ILE A 51 -4.057 -10.140 5.426 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.516 -9.236 4.300 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.663 -9.555 6.808 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.025 -7.836 4.325 1.00 25.00 C ATOM 0 H ILE A 51 -4.958 -12.244 3.875 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.418 -11.538 5.242 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.146 -10.182 5.389 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.428 -9.213 4.362 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.771 -9.684 3.339 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.067 -8.547 6.905 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.068 -10.186 7.599 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.577 -9.520 6.892 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.590 -7.276 3.497 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.111 -7.842 4.229 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.747 -7.364 5.267 1.00 25.00 H new ATOM 877 N ASP A 52 -2.986 -13.258 6.867 1.00 25.00 N ATOM 878 CA ASP A 52 -3.215 -14.146 7.998 1.00 25.00 C ATOM 879 C ASP A 52 -1.943 -14.185 8.806 1.00 25.00 C ATOM 880 O ASP A 52 -0.873 -13.844 8.294 1.00 25.00 O ATOM 881 CB ASP A 52 -3.551 -15.557 7.549 1.00 25.00 C ATOM 882 CG ASP A 52 -4.014 -16.421 8.693 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.615 -15.886 9.639 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.661 -17.617 8.703 1.00 25.00 O ATOM 0 H ASP A 52 -2.030 -13.273 6.511 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.059 -13.772 8.578 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.329 -15.519 6.786 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.673 -16.008 7.087 1.00 25.00 H new ATOM 889 N ILE A 53 -2.042 -14.614 10.051 1.00 25.00 N ATOM 890 CA ILE A 53 -0.900 -14.609 10.943 1.00 25.00 C ATOM 891 C ILE A 53 0.225 -15.472 10.410 1.00 25.00 C ATOM 892 O ILE A 53 1.365 -15.059 10.460 1.00 25.00 O ATOM 893 CB ILE A 53 -1.318 -15.019 12.384 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.171 -14.796 13.390 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.835 -16.472 12.454 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.211 -13.323 13.600 1.00 25.00 C ATOM 0 H ILE A 53 -2.903 -14.970 10.466 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.517 -13.590 10.993 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.146 -14.368 12.663 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.458 -15.225 14.350 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.708 -15.341 13.047 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.114 -16.710 13.480 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.706 -16.580 11.807 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.051 -17.153 12.124 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.025 -13.258 14.322 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.532 -12.892 12.652 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.652 -12.773 13.975 1.00 25.00 H new ATOM 908 N LYS A 54 -0.082 -16.621 9.819 1.00 25.00 N ATOM 909 CA LYS A 54 0.964 -17.510 9.291 1.00 25.00 C ATOM 910 C LYS A 54 1.797 -16.835 8.207 1.00 25.00 C ATOM 911 O LYS A 54 2.984 -17.119 8.069 1.00 25.00 O ATOM 912 CB LYS A 54 0.354 -18.832 8.791 1.00 25.00 C ATOM 913 CG LYS A 54 -0.648 -18.704 7.638 1.00 25.00 C ATOM 914 CD LYS A 54 -1.352 -20.046 7.388 1.00 25.00 C ATOM 915 CE LYS A 54 -2.495 -19.921 6.372 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.840 -19.851 7.057 1.00 25.00 N ATOM 0 H LYS A 54 -1.034 -16.963 9.691 1.00 25.00 H new ATOM 0 HA LYS A 54 1.644 -17.738 10.112 1.00 25.00 H new ATOM 0 HB2 LYS A 54 1.164 -19.488 8.473 1.00 25.00 H new ATOM 0 HB3 LYS A 54 -0.143 -19.322 9.628 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -1.386 -17.937 7.873 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.132 -18.383 6.733 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -0.625 -20.774 7.027 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.746 -20.429 8.330 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.348 -19.028 5.765 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.475 -20.774 5.694 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.582 -19.682 6.348 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.027 -20.749 7.547 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.838 -19.074 7.748 1.00 25.00 H new ATOM 930 N ARG A 55 1.201 -15.901 7.480 1.00 25.00 N ATOM 931 CA ARG A 55 1.937 -15.132 6.478 1.00 25.00 C ATOM 932 C ARG A 55 2.670 -13.974 7.127 1.00 25.00 C ATOM 933 O ARG A 55 3.779 -13.653 6.743 1.00 25.00 O ATOM 934 CB ARG A 55 0.978 -14.600 5.419 1.00 25.00 C ATOM 935 CG ARG A 55 0.384 -15.698 4.569 1.00 25.00 C ATOM 936 CD ARG A 55 -0.587 -15.121 3.579 1.00 25.00 C ATOM 937 NE ARG A 55 -0.882 -16.066 2.492 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.164 -16.196 1.381 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.920 -15.496 1.172 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.548 -17.041 0.473 1.00 25.00 N ATOM 0 H ARG A 55 0.214 -15.656 7.562 1.00 25.00 H new ATOM 0 HA ARG A 55 2.666 -15.791 6.007 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.174 -14.048 5.906 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.506 -13.894 4.778 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.177 -16.230 4.044 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.122 -16.426 5.204 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.512 -14.854 4.090 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.177 -14.202 3.161 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.699 -16.667 2.598 1.00 25.00 H new ATOM 0 HH11 ARG A 55 1.237 -14.826 1.873 1.00 25.00 H new ATOM 0 HH12 ARG A 55 1.448 -15.620 0.308 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -1.392 -17.596 0.617 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.006 -17.150 -0.384 1.00 25.00 H new ATOM 954 N TRP A 56 2.058 -13.361 8.126 1.00 25.00 N ATOM 955 CA TRP A 56 2.662 -12.216 8.800 1.00 25.00 C ATOM 956 C TRP A 56 3.955 -12.569 9.542 1.00 25.00 C ATOM 957 O TRP A 56 4.848 -11.741 9.653 1.00 25.00 O ATOM 958 CB TRP A 56 1.656 -11.587 9.762 1.00 25.00 C ATOM 959 CG TRP A 56 2.055 -10.205 10.165 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.449 -9.786 11.389 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.124 -9.038 9.321 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.763 -8.459 11.392 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.595 -7.962 10.129 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.851 -8.795 7.960 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.807 -6.667 9.612 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.054 -7.492 7.437 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.531 -6.442 8.275 1.00 25.00 C ATOM 0 H TRP A 56 1.145 -13.634 8.490 1.00 25.00 H new ATOM 0 HA TRP A 56 2.933 -11.499 8.025 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.674 -11.558 9.291 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.565 -12.212 10.651 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.508 -10.424 12.258 1.00 25.00 H new ATOM 0 HE1 TRP A 56 3.073 -7.924 12.204 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.492 -9.590 7.324 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.175 -5.872 10.243 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.846 -7.294 6.396 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.679 -5.456 7.860 1.00 25.00 H new ATOM 978 N ARG A 57 4.080 -13.809 10.007 1.00 25.00 N ATOM 979 CA ARG A 57 5.312 -14.250 10.703 1.00 25.00 C ATOM 980 C ARG A 57 6.488 -14.100 9.775 1.00 25.00 C ATOM 981 O ARG A 57 7.505 -13.525 10.117 1.00 25.00 O ATOM 982 CB ARG A 57 5.225 -15.697 11.151 1.00 25.00 C ATOM 983 CG ARG A 57 3.881 -16.021 11.596 1.00 25.00 C ATOM 984 CD ARG A 57 3.814 -17.000 12.641 1.00 25.00 C ATOM 985 NE ARG A 57 4.536 -18.245 12.324 1.00 25.00 N ATOM 986 CZ ARG A 57 4.589 -19.319 13.105 1.00 25.00 C ATOM 987 NH1 ARG A 57 3.957 -19.383 14.253 1.00 25.00 N ATOM 988 NH2 ARG A 57 5.293 -20.348 12.724 1.00 25.00 N ATOM 0 H ARG A 57 3.361 -14.527 9.922 1.00 25.00 H new ATOM 0 HA ARG A 57 5.432 -13.626 11.589 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.509 -16.354 10.329 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.933 -15.875 11.960 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.398 -15.107 11.942 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.308 -16.382 10.742 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.225 -16.573 13.556 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.769 -17.236 12.841 1.00 25.00 H new ATOM 0 HE ARG A 57 5.034 -18.286 11.435 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.401 -18.591 14.574 1.00 25.00 H new ATOM 0 HH12 ARG A 57 4.022 -20.225 14.825 1.00 25.00 H new ATOM 0 HH21 ARG A 57 5.795 -20.322 11.836 1.00 25.00 H new ATOM 0 HH22 ARG A 57 5.342 -21.179 13.314 1.00 25.00 H new ATOM 1002 N ARG A 58 6.278 -14.586 8.563 1.00 25.00 N ATOM 1003 CA ARG A 58 7.292 -14.492 7.496 1.00 25.00 C ATOM 1004 C ARG A 58 7.732 -13.059 7.205 1.00 25.00 C ATOM 1005 O ARG A 58 8.864 -12.837 6.826 1.00 25.00 O ATOM 1006 CB ARG A 58 6.783 -15.091 6.183 1.00 25.00 C ATOM 1007 CG ARG A 58 6.509 -16.579 6.213 1.00 25.00 C ATOM 1008 CD ARG A 58 6.148 -17.041 4.805 1.00 25.00 C ATOM 1009 NE ARG A 58 5.944 -18.496 4.721 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.680 -19.164 3.602 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.559 -18.567 2.440 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.533 -20.459 3.652 1.00 25.00 N ATOM 0 H ARG A 58 5.416 -15.053 8.281 1.00 25.00 H new ATOM 0 HA ARG A 58 8.145 -15.055 7.875 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.866 -14.575 5.899 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.517 -14.889 5.402 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.386 -17.117 6.573 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.694 -16.799 6.903 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.241 -16.531 4.481 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.941 -16.749 4.116 1.00 25.00 H new ATOM 0 HE ARG A 58 6.010 -19.032 5.586 1.00 25.00 H new ATOM 0 HH11 ARG A 58 5.668 -17.555 2.373 1.00 25.00 H new ATOM 0 HH12 ARG A 58 5.356 -19.115 1.604 1.00 25.00 H new ATOM 0 HH21 ARG A 58 5.621 -20.948 4.543 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.330 -20.983 2.800 1.00 25.00 H new ATOM 1026 N VAL A 59 6.847 -12.089 7.383 1.00 25.00 N ATOM 1027 CA VAL A 59 7.197 -10.683 7.142 1.00 25.00 C ATOM 1028 C VAL A 59 8.226 -10.251 8.175 1.00 25.00 C ATOM 1029 O VAL A 59 9.173 -9.529 7.880 1.00 25.00 O ATOM 1030 CB VAL A 59 5.943 -9.764 7.238 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.291 -8.309 6.951 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.884 -10.238 6.264 1.00 25.00 C ATOM 0 H VAL A 59 5.886 -12.240 7.691 1.00 25.00 H new ATOM 0 HA VAL A 59 7.605 -10.590 6.135 1.00 25.00 H new ATOM 0 HB VAL A 59 5.561 -9.824 8.257 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.392 -7.698 7.027 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.028 -7.962 7.675 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.703 -8.225 5.945 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.009 -9.592 6.335 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.280 -10.202 5.249 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.599 -11.262 6.506 1.00 25.00 H new ATOM 1042 N GLY A 60 8.058 -10.750 9.386 1.00 25.00 N ATOM 1043 CA GLY A 60 8.990 -10.444 10.448 1.00 25.00 C ATOM 1044 C GLY A 60 10.317 -11.144 10.242 1.00 25.00 C ATOM 1045 O GLY A 60 11.363 -10.557 10.486 1.00 25.00 O ATOM 0 H GLY A 60 7.289 -11.364 9.655 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.149 -9.367 10.494 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.564 -10.745 11.405 1.00 25.00 H new ATOM 1049 N ASP A 61 10.280 -12.370 9.737 1.00 25.00 N ATOM 1050 CA ASP A 61 11.508 -13.105 9.413 1.00 25.00 C ATOM 1051 C ASP A 61 12.248 -12.375 8.293 1.00 25.00 C ATOM 1052 O ASP A 61 13.467 -12.314 8.283 1.00 25.00 O ATOM 1053 CB ASP A 61 11.194 -14.538 8.964 1.00 25.00 C ATOM 1054 CG ASP A 61 10.783 -15.440 10.118 1.00 25.00 C ATOM 1055 OD1 ASP A 61 11.569 -15.585 11.078 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.666 -16.020 10.056 1.00 25.00 O ATOM 0 H ASP A 61 9.419 -12.880 9.541 1.00 25.00 H new ATOM 0 HA ASP A 61 12.128 -13.155 10.308 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.394 -14.515 8.224 1.00 25.00 H new ATOM 0 HB3 ASP A 61 12.071 -14.960 8.473 1.00 25.00 H new ATOM 1061 N CYS A 62 11.500 -11.776 7.377 1.00 25.00 N ATOM 1062 CA CYS A 62 12.089 -10.993 6.294 1.00 25.00 C ATOM 1063 C CYS A 62 12.854 -9.792 6.846 1.00 25.00 C ATOM 1064 O CYS A 62 13.982 -9.529 6.441 1.00 25.00 O ATOM 1065 CB CYS A 62 10.997 -10.508 5.339 1.00 25.00 C ATOM 1066 SG CYS A 62 11.162 -11.179 3.664 1.00 25.00 S ATOM 0 H CYS A 62 10.481 -11.816 7.360 1.00 25.00 H new ATOM 0 HA CYS A 62 12.785 -11.634 5.753 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.023 -10.787 5.740 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.023 -9.419 5.291 1.00 25.00 H new ATOM 0 HG CYS A 62 10.921 -10.242 2.796 1.00 25.00 H new ATOM 1072 N PHE A 63 12.263 -9.076 7.796 1.00 25.00 N ATOM 1073 CA PHE A 63 12.957 -7.940 8.406 1.00 25.00 C ATOM 1074 C PHE A 63 14.170 -8.433 9.176 1.00 25.00 C ATOM 1075 O PHE A 63 15.194 -7.767 9.215 1.00 25.00 O ATOM 1076 CB PHE A 63 12.064 -7.183 9.394 1.00 25.00 C ATOM 1077 CG PHE A 63 10.814 -6.600 8.789 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.822 -6.017 7.504 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.615 -6.602 9.528 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.642 -5.454 6.961 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.437 -6.031 8.995 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.454 -5.463 7.709 1.00 25.00 C ATOM 0 H PHE A 63 11.326 -9.253 8.157 1.00 25.00 H new ATOM 0 HA PHE A 63 13.242 -7.271 7.594 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.780 -7.860 10.200 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.644 -6.377 9.844 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.736 -6.000 6.930 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.595 -7.045 10.513 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.656 -5.018 5.973 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.526 -6.031 9.574 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.553 -5.034 7.297 1.00 25.00 H new ATOM 1092 N GLN A 64 14.036 -9.588 9.809 1.00 25.00 N ATOM 1093 CA GLN A 64 15.102 -10.153 10.628 1.00 25.00 C ATOM 1094 C GLN A 64 16.300 -10.540 9.773 1.00 25.00 C ATOM 1095 O GLN A 64 17.431 -10.292 10.148 1.00 25.00 O ATOM 1096 CB GLN A 64 14.570 -11.377 11.380 1.00 25.00 C ATOM 1097 CG GLN A 64 15.518 -11.946 12.428 1.00 25.00 C ATOM 1098 CD GLN A 64 14.892 -13.099 13.192 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.858 -13.100 14.413 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.376 -14.068 12.479 1.00 25.00 N ATOM 0 H GLN A 64 13.191 -10.159 9.771 1.00 25.00 H new ATOM 0 HA GLN A 64 15.431 -9.400 11.344 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.633 -11.108 11.867 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.340 -12.159 10.656 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.433 -12.286 11.943 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.801 -11.159 13.127 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.423 -14.033 11.461 1.00 25.00 H new ATOM 0 HE22 GLN A 64 13.927 -14.858 12.942 1.00 25.00 H new ATOM 1109 N ASP A 65 16.059 -11.122 8.612 1.00 25.00 N ATOM 1110 CA ASP A 65 17.156 -11.539 7.741 1.00 25.00 C ATOM 1111 C ASP A 65 17.826 -10.332 7.099 1.00 25.00 C ATOM 1112 O ASP A 65 19.047 -10.262 6.980 1.00 25.00 O ATOM 1113 CB ASP A 65 16.636 -12.478 6.663 1.00 25.00 C ATOM 1114 CG ASP A 65 17.735 -13.336 6.068 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.679 -13.691 6.812 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.630 -13.704 4.880 1.00 25.00 O ATOM 0 H ASP A 65 15.126 -11.317 8.249 1.00 25.00 H new ATOM 0 HA ASP A 65 17.896 -12.062 8.347 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.865 -13.122 7.086 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.165 -11.894 5.872 1.00 25.00 H new ATOM 1121 N TYR A 66 17.024 -9.338 6.751 1.00 25.00 N ATOM 1122 CA TYR A 66 17.547 -8.088 6.209 1.00 25.00 C ATOM 1123 C TYR A 66 18.418 -7.423 7.286 1.00 25.00 C ATOM 1124 O TYR A 66 19.489 -6.875 7.003 1.00 25.00 O ATOM 1125 CB TYR A 66 16.374 -7.188 5.810 1.00 25.00 C ATOM 1126 CG TYR A 66 16.685 -6.159 4.739 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.635 -5.136 4.949 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.012 -6.200 3.499 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.902 -4.174 3.935 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.271 -5.232 2.493 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.214 -4.230 2.724 1.00 25.00 C ATOM 1132 OH TYR A 66 17.469 -3.293 1.756 1.00 25.00 O ATOM 0 H TYR A 66 16.008 -9.370 6.833 1.00 25.00 H new ATOM 0 HA TYR A 66 18.156 -8.267 5.323 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.556 -7.818 5.460 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.017 -6.668 6.699 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.164 -5.083 5.889 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.289 -6.980 3.312 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.637 -3.401 4.104 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.740 -5.271 1.553 1.00 25.00 H new ATOM 0 HH TYR A 66 16.909 -3.472 0.972 1.00 25.00 H new ATOM 1142 N PHE A 67 17.978 -7.525 8.533 1.00 25.00 N ATOM 1143 CA PHE A 67 18.729 -6.990 9.672 1.00 25.00 C ATOM 1144 C PHE A 67 20.011 -7.795 9.905 1.00 25.00 C ATOM 1145 O PHE A 67 21.039 -7.229 10.240 1.00 25.00 O ATOM 1146 CB PHE A 67 17.853 -7.017 10.932 1.00 25.00 C ATOM 1147 CG PHE A 67 18.452 -6.304 12.114 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.395 -6.946 12.940 1.00 25.00 C ATOM 1149 CD2 PHE A 67 18.055 -4.991 12.427 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.946 -6.280 14.063 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.589 -4.320 13.551 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.541 -4.964 14.368 1.00 25.00 C ATOM 0 H PHE A 67 17.099 -7.976 8.787 1.00 25.00 H new ATOM 0 HA PHE A 67 19.008 -5.960 9.450 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.888 -6.566 10.700 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.662 -8.055 11.206 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.702 -7.957 12.715 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.333 -4.489 11.800 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.675 -6.779 14.684 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.268 -3.315 13.784 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.958 -4.452 15.223 1.00 25.00 H new ATOM 1162 N ASN A 68 19.973 -9.102 9.693 1.00 25.00 N ATOM 1163 CA ASN A 68 21.172 -9.929 9.866 1.00 25.00 C ATOM 1164 C ASN A 68 22.209 -9.556 8.813 1.00 25.00 C ATOM 1165 O ASN A 68 23.408 -9.595 9.063 1.00 25.00 O ATOM 1166 CB ASN A 68 20.850 -11.423 9.713 1.00 25.00 C ATOM 1167 CG ASN A 68 19.998 -11.960 10.831 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.068 -11.504 11.964 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.210 -12.956 10.527 1.00 25.00 N ATOM 0 H ASN A 68 19.139 -9.614 9.404 1.00 25.00 H new ATOM 0 HA ASN A 68 21.555 -9.748 10.870 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.337 -11.583 8.764 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.782 -11.987 9.671 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.625 -13.381 11.246 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.179 -13.309 9.570 1.00 25.00 H new ATOM 1176 N THR A 69 21.732 -9.221 7.625 1.00 25.00 N ATOM 1177 CA THR A 69 22.611 -8.910 6.502 1.00 25.00 C ATOM 1178 C THR A 69 23.236 -7.514 6.604 1.00 25.00 C ATOM 1179 O THR A 69 24.414 -7.332 6.295 1.00 25.00 O ATOM 1180 CB THR A 69 21.824 -9.006 5.166 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.147 -10.265 5.104 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.749 -8.933 3.964 1.00 25.00 C ATOM 0 H THR A 69 20.737 -9.156 7.410 1.00 25.00 H new ATOM 0 HA THR A 69 23.418 -9.642 6.530 1.00 25.00 H new ATOM 0 HB THR A 69 21.126 -8.169 5.139 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.395 -10.263 5.732 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.162 -9.003 3.048 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.289 -7.986 3.977 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.461 -9.757 4.003 1.00 25.00 H new ATOM 1190 N PHE A 70 22.445 -6.518 6.989 1.00 25.00 N ATOM 1191 CA PHE A 70 22.910 -5.124 6.961 1.00 25.00 C ATOM 1192 C PHE A 70 22.846 -4.348 8.282 1.00 25.00 C ATOM 1193 O PHE A 70 23.201 -3.162 8.327 1.00 25.00 O ATOM 1194 CB PHE A 70 22.110 -4.362 5.917 1.00 25.00 C ATOM 1195 CG PHE A 70 22.274 -4.887 4.521 1.00 25.00 C ATOM 1196 CD1 PHE A 70 23.511 -4.774 3.858 1.00 25.00 C ATOM 1197 CD2 PHE A 70 21.193 -5.488 3.853 1.00 25.00 C ATOM 1198 CE1 PHE A 70 23.670 -5.255 2.535 1.00 25.00 C ATOM 1199 CE2 PHE A 70 21.334 -5.963 2.527 1.00 25.00 C ATOM 1200 CZ PHE A 70 22.576 -5.845 1.867 1.00 25.00 C ATOM 0 H PHE A 70 21.489 -6.641 7.322 1.00 25.00 H new ATOM 0 HA PHE A 70 23.973 -5.195 6.728 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.054 -4.397 6.186 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.410 -3.314 5.938 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.348 -4.316 4.364 1.00 25.00 H new ATOM 0 HD2 PHE A 70 20.243 -5.589 4.358 1.00 25.00 H new ATOM 0 HE1 PHE A 70 24.626 -5.170 2.039 1.00 25.00 H new ATOM 0 HE2 PHE A 70 20.493 -6.415 2.022 1.00 25.00 H new ATOM 0 HZ PHE A 70 22.689 -6.205 0.855 1.00 25.00 H new ATOM 1210 N GLY A 71 22.415 -4.994 9.350 1.00 25.00 N ATOM 1211 CA GLY A 71 22.378 -4.351 10.654 1.00 25.00 C ATOM 1212 C GLY A 71 21.269 -3.326 10.843 1.00 25.00 C ATOM 1213 O GLY A 71 20.391 -3.154 9.977 1.00 25.00 O ATOM 0 H GLY A 71 22.087 -5.960 9.342 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.272 -5.121 11.418 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.336 -3.861 10.826 1.00 25.00 H new ATOM 1217 N PRO A 72 21.301 -2.581 11.967 1.00 25.00 N ATOM 1218 CA PRO A 72 20.287 -1.553 12.240 1.00 25.00 C ATOM 1219 C PRO A 72 20.420 -0.331 11.342 1.00 25.00 C ATOM 1220 O PRO A 72 19.551 0.534 11.319 1.00 25.00 O ATOM 1221 CB PRO A 72 20.559 -1.190 13.703 1.00 25.00 C ATOM 1222 CG PRO A 72 22.010 -1.405 13.860 1.00 25.00 C ATOM 1223 CD PRO A 72 22.294 -2.651 13.058 1.00 25.00 C ATOM 0 HA PRO A 72 19.276 -1.913 12.050 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.283 -0.157 13.916 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.986 -1.820 14.384 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.580 -0.554 13.487 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.281 -1.536 14.908 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.314 -2.660 12.674 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.171 -3.553 13.658 1.00 25.00 H new ATOM 1231 N GLU A 73 21.502 -0.290 10.578 1.00 25.00 N ATOM 1232 CA GLU A 73 21.771 0.804 9.653 1.00 25.00 C ATOM 1233 C GLU A 73 20.788 0.788 8.487 1.00 25.00 C ATOM 1234 O GLU A 73 20.659 1.770 7.757 1.00 25.00 O ATOM 1235 CB GLU A 73 23.196 0.667 9.101 1.00 25.00 C ATOM 1236 CG GLU A 73 24.267 0.528 10.180 1.00 25.00 C ATOM 1237 CD GLU A 73 24.223 1.665 11.190 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.342 2.837 10.777 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.055 1.380 12.395 1.00 25.00 O ATOM 0 H GLU A 73 22.220 -1.015 10.581 1.00 25.00 H new ATOM 0 HA GLU A 73 21.661 1.744 10.194 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.239 -0.203 8.446 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.423 1.539 8.488 1.00 25.00 H new ATOM 0 HG2 GLU A 73 24.135 -0.421 10.699 1.00 25.00 H new ATOM 0 HG3 GLU A 73 25.250 0.500 9.711 1.00 25.00 H new ATOM 1246 N LYS A 74 20.124 -0.347 8.290 1.00 25.00 N ATOM 1247 CA LYS A 74 19.172 -0.506 7.185 1.00 25.00 C ATOM 1248 C LYS A 74 17.757 -0.738 7.672 1.00 25.00 C ATOM 1249 O LYS A 74 16.826 -0.131 7.155 1.00 25.00 O ATOM 1250 CB LYS A 74 19.591 -1.667 6.286 1.00 25.00 C ATOM 1251 CG LYS A 74 20.435 -1.259 5.066 1.00 25.00 C ATOM 1252 CD LYS A 74 21.762 -0.622 5.470 1.00 25.00 C ATOM 1253 CE LYS A 74 22.711 -0.515 4.301 1.00 25.00 C ATOM 1254 NZ LYS A 74 24.008 0.069 4.776 1.00 25.00 N ATOM 0 H LYS A 74 20.225 -1.173 8.879 1.00 25.00 H new ATOM 0 HA LYS A 74 19.185 0.427 6.622 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.158 -2.384 6.880 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.695 -2.181 5.937 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.628 -2.137 4.450 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.869 -0.558 4.453 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.578 0.371 5.881 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.224 -1.214 6.260 1.00 25.00 H new ATOM 0 HE2 LYS A 74 22.879 -1.498 3.862 1.00 25.00 H new ATOM 0 HE3 LYS A 74 22.279 0.112 3.522 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 24.668 0.146 3.976 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 23.837 1.014 5.176 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 24.420 -0.547 5.506 1.00 25.00 H new ATOM 1268 N VAL A 75 17.577 -1.587 8.675 1.00 25.00 N ATOM 1269 CA VAL A 75 16.237 -1.797 9.223 1.00 25.00 C ATOM 1270 C VAL A 75 16.228 -1.209 10.627 1.00 25.00 C ATOM 1271 O VAL A 75 17.074 -1.551 11.448 1.00 25.00 O ATOM 1272 CB VAL A 75 15.909 -3.323 9.299 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.497 -3.570 9.859 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.029 -3.961 7.920 1.00 25.00 C ATOM 0 H VAL A 75 18.318 -2.130 9.118 1.00 25.00 H new ATOM 0 HA VAL A 75 15.491 -1.321 8.587 1.00 25.00 H new ATOM 0 HB VAL A 75 16.631 -3.779 9.976 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.303 -4.642 9.898 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.426 -3.152 10.863 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.761 -3.091 9.213 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.798 -5.024 7.989 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.330 -3.481 7.235 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.046 -3.835 7.548 1.00 25.00 H new ATOM 1284 N PRO A 76 15.219 -0.386 10.958 1.00 25.00 N ATOM 1285 CA PRO A 76 15.237 0.097 12.339 1.00 25.00 C ATOM 1286 C PRO A 76 14.687 -0.943 13.300 1.00 25.00 C ATOM 1287 O PRO A 76 13.799 -1.714 12.952 1.00 25.00 O ATOM 1288 CB PRO A 76 14.328 1.321 12.281 1.00 25.00 C ATOM 1289 CG PRO A 76 13.343 1.003 11.222 1.00 25.00 C ATOM 1290 CD PRO A 76 14.097 0.190 10.189 1.00 25.00 C ATOM 0 HA PRO A 76 16.241 0.317 12.701 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.838 1.497 13.239 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.892 2.223 12.041 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.502 0.439 11.626 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.934 1.913 10.782 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.469 -0.586 9.752 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.451 0.813 9.368 1.00 25.00 H new ATOM 1298 N VAL A 77 15.142 -0.920 14.540 1.00 25.00 N ATOM 1299 CA VAL A 77 14.624 -1.854 15.539 1.00 25.00 C ATOM 1300 C VAL A 77 13.141 -1.579 15.830 1.00 25.00 C ATOM 1301 O VAL A 77 12.407 -2.463 16.265 1.00 25.00 O ATOM 1302 CB VAL A 77 15.461 -1.812 16.848 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.899 -2.283 16.568 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.486 -0.393 17.453 1.00 25.00 C ATOM 0 H VAL A 77 15.857 -0.278 14.881 1.00 25.00 H new ATOM 0 HA VAL A 77 14.710 -2.858 15.125 1.00 25.00 H new ATOM 0 HB VAL A 77 14.991 -2.481 17.569 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.479 -2.250 17.491 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.880 -3.304 16.187 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.359 -1.628 15.827 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.079 -0.398 18.367 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.928 0.300 16.737 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.468 -0.077 17.683 1.00 25.00 H new ATOM 1314 N THR A 78 12.672 -0.374 15.520 1.00 25.00 N ATOM 1315 CA THR A 78 11.259 -0.053 15.715 1.00 25.00 C ATOM 1316 C THR A 78 10.387 -0.721 14.664 1.00 25.00 C ATOM 1317 O THR A 78 9.199 -0.891 14.881 1.00 25.00 O ATOM 1318 CB THR A 78 10.987 1.477 15.716 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.746 1.738 16.372 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.917 2.062 14.326 1.00 25.00 C ATOM 0 H THR A 78 13.237 0.385 15.139 1.00 25.00 H new ATOM 0 HA THR A 78 10.999 -0.442 16.699 1.00 25.00 H new ATOM 0 HB THR A 78 11.822 1.944 16.237 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.102 1.034 16.146 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.725 3.133 14.391 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.864 1.894 13.812 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.112 1.582 13.769 1.00 25.00 H new ATOM 1328 N ALA A 79 10.962 -1.148 13.545 1.00 25.00 N ATOM 1329 CA ALA A 79 10.163 -1.821 12.528 1.00 25.00 C ATOM 1330 C ALA A 79 9.604 -3.118 13.107 1.00 25.00 C ATOM 1331 O ALA A 79 8.469 -3.470 12.845 1.00 25.00 O ATOM 1332 CB ALA A 79 10.996 -2.096 11.289 1.00 25.00 C ATOM 0 H ALA A 79 11.952 -1.044 13.322 1.00 25.00 H new ATOM 0 HA ALA A 79 9.335 -1.176 12.233 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.382 -2.599 10.542 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.365 -1.154 10.882 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.841 -2.733 11.552 1.00 25.00 H new ATOM 1338 N PHE A 80 10.388 -3.790 13.938 1.00 25.00 N ATOM 1339 CA PHE A 80 9.941 -5.024 14.585 1.00 25.00 C ATOM 1340 C PHE A 80 8.884 -4.729 15.647 1.00 25.00 C ATOM 1341 O PHE A 80 7.988 -5.530 15.894 1.00 25.00 O ATOM 1342 CB PHE A 80 11.126 -5.726 15.246 1.00 25.00 C ATOM 1343 CG PHE A 80 12.221 -6.088 14.284 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.200 -7.323 13.614 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.289 -5.200 14.051 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.231 -7.673 12.719 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.323 -5.532 13.148 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.294 -6.774 12.479 1.00 25.00 C ATOM 0 H PHE A 80 11.336 -3.505 14.182 1.00 25.00 H new ATOM 0 HA PHE A 80 9.507 -5.668 13.820 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.534 -5.079 16.022 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.773 -6.631 15.739 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.386 -8.011 13.787 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.318 -4.253 14.569 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.208 -8.629 12.217 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.132 -4.839 12.970 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.081 -7.036 11.787 1.00 25.00 H new ATOM 1358 N SER A 81 8.985 -3.567 16.268 1.00 25.00 N ATOM 1359 CA SER A 81 8.034 -3.164 17.308 1.00 25.00 C ATOM 1360 C SER A 81 6.692 -2.859 16.656 1.00 25.00 C ATOM 1361 O SER A 81 5.645 -3.339 17.087 1.00 25.00 O ATOM 1362 CB SER A 81 8.550 -1.931 18.055 1.00 25.00 C ATOM 1363 OG SER A 81 7.680 -1.581 19.115 1.00 25.00 O ATOM 0 H SER A 81 9.714 -2.880 16.075 1.00 25.00 H new ATOM 0 HA SER A 81 7.918 -3.974 18.028 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.547 -2.130 18.448 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.642 -1.094 17.363 1.00 25.00 H new ATOM 0 HG SER A 81 8.030 -0.792 19.579 1.00 25.00 H new ATOM 1369 N TYR A 82 6.741 -2.120 15.559 1.00 25.00 N ATOM 1370 CA TYR A 82 5.551 -1.813 14.785 1.00 25.00 C ATOM 1371 C TYR A 82 4.961 -3.089 14.217 1.00 25.00 C ATOM 1372 O TYR A 82 3.759 -3.291 14.241 1.00 25.00 O ATOM 1373 CB TYR A 82 5.907 -0.870 13.641 1.00 25.00 C ATOM 1374 CG TYR A 82 5.674 0.575 13.987 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.419 1.158 13.744 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.692 1.370 14.567 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.178 2.525 14.052 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.451 2.734 14.884 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.198 3.299 14.614 1.00 25.00 C ATOM 1380 OH TYR A 82 4.974 4.621 14.901 1.00 25.00 O ATOM 0 H TYR A 82 7.600 -1.719 15.183 1.00 25.00 H new ATOM 0 HA TYR A 82 4.820 -1.335 15.437 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.954 -1.011 13.372 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.315 -1.130 12.764 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.627 0.560 13.318 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.660 0.936 14.770 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.211 2.964 13.853 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.231 3.333 15.331 1.00 25.00 H new ATOM 0 HH TYR A 82 5.784 5.014 15.288 1.00 25.00 H new ATOM 1390 N TRP A 83 5.818 -3.971 13.737 1.00 25.00 N ATOM 1391 CA TRP A 83 5.383 -5.238 13.174 1.00 25.00 C ATOM 1392 C TRP A 83 4.609 -6.073 14.198 1.00 25.00 C ATOM 1393 O TRP A 83 3.618 -6.733 13.858 1.00 25.00 O ATOM 1394 CB TRP A 83 6.615 -6.015 12.701 1.00 25.00 C ATOM 1395 CG TRP A 83 6.319 -7.404 12.270 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.944 -7.830 11.040 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.370 -8.591 13.086 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.744 -9.177 11.016 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.990 -9.683 12.260 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.700 -8.841 14.433 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.919 -11.001 12.740 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.637 -10.169 14.923 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.245 -11.237 14.064 1.00 25.00 C ATOM 0 H TRP A 83 6.828 -3.832 13.726 1.00 25.00 H new ATOM 0 HA TRP A 83 4.714 -5.036 12.338 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.075 -5.478 11.872 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.347 -6.043 13.508 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.819 -7.182 10.185 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.457 -9.719 10.201 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.997 -8.031 15.083 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.617 -11.810 12.092 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.887 -10.373 15.953 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.202 -12.244 14.452 1.00 25.00 H new ATOM 1414 N ASN A 84 5.041 -6.025 15.454 1.00 25.00 N ATOM 1415 CA ASN A 84 4.391 -6.782 16.527 1.00 25.00 C ATOM 1416 C ASN A 84 2.957 -6.300 16.753 1.00 25.00 C ATOM 1417 O ASN A 84 2.082 -7.096 17.085 1.00 25.00 O ATOM 1418 CB ASN A 84 5.184 -6.667 17.835 1.00 25.00 C ATOM 1419 CG ASN A 84 6.133 -7.823 18.046 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.727 -8.911 18.433 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.389 -7.602 17.797 1.00 25.00 N ATOM 0 H ASN A 84 5.840 -5.469 15.758 1.00 25.00 H new ATOM 0 HA ASN A 84 4.364 -7.827 16.218 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.749 -5.735 17.832 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.489 -6.616 18.673 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.073 -8.348 17.923 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.691 -6.682 17.476 1.00 25.00 H new ATOM 1428 N LEU A 85 2.715 -5.013 16.534 1.00 25.00 N ATOM 1429 CA LEU A 85 1.377 -4.437 16.695 1.00 25.00 C ATOM 1430 C LEU A 85 0.400 -5.012 15.669 1.00 25.00 C ATOM 1431 O LEU A 85 -0.751 -5.288 15.978 1.00 25.00 O ATOM 1432 CB LEU A 85 1.453 -2.913 16.553 1.00 25.00 C ATOM 1433 CG LEU A 85 0.156 -2.142 16.840 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.486 -0.885 17.630 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.557 -1.754 15.538 1.00 25.00 C ATOM 0 H LEU A 85 3.427 -4.343 16.243 1.00 25.00 H new ATOM 0 HA LEU A 85 1.009 -4.693 17.688 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.227 -2.544 17.225 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.774 -2.679 15.538 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.509 -2.786 17.415 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.431 -0.334 17.836 1.00 25.00 H new ATOM 0 HD12 LEU A 85 0.963 -1.161 18.570 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.163 -0.258 17.050 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.472 -1.210 15.772 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.098 -1.122 14.939 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.805 -2.655 14.976 1.00 25.00 H new ATOM 1447 N ILE A 86 0.852 -5.222 14.446 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.024 -5.819 13.440 1.00 25.00 C ATOM 1449 C ILE A 86 -0.132 -7.324 13.713 1.00 25.00 C ATOM 1450 O ILE A 86 -1.174 -7.938 13.486 1.00 25.00 O ATOM 1451 CB ILE A 86 0.472 -5.581 11.989 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.389 -4.090 11.600 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.401 -6.362 11.006 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.616 -3.263 11.953 1.00 25.00 C ATOM 0 H ILE A 86 1.794 -4.997 14.125 1.00 25.00 H new ATOM 0 HA ILE A 86 -0.999 -5.337 13.519 1.00 25.00 H new ATOM 0 HB ILE A 86 1.509 -5.913 11.945 1.00 25.00 H new ATOM 0 HG12 ILE A 86 0.219 -4.019 10.526 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.480 -3.650 12.090 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.047 -6.190 9.989 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.344 -7.426 11.235 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.435 -6.027 11.092 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.461 -2.230 11.640 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.779 -3.295 13.030 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.488 -3.670 11.442 1.00 25.00 H new ATOM 1466 N LYS A 87 0.929 -7.920 14.237 1.00 25.00 N ATOM 1467 CA LYS A 87 0.913 -9.346 14.546 1.00 25.00 C ATOM 1468 C LYS A 87 -0.201 -9.650 15.542 1.00 25.00 C ATOM 1469 O LYS A 87 -0.961 -10.577 15.323 1.00 25.00 O ATOM 1470 CB LYS A 87 2.293 -9.784 15.067 1.00 25.00 C ATOM 1471 CG LYS A 87 2.276 -10.763 16.234 1.00 25.00 C ATOM 1472 CD LYS A 87 3.669 -11.010 16.749 1.00 25.00 C ATOM 1473 CE LYS A 87 3.623 -11.673 18.120 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.982 -11.677 18.756 1.00 25.00 N ATOM 0 H LYS A 87 1.805 -7.446 14.456 1.00 25.00 H new ATOM 0 HA LYS A 87 0.707 -9.918 13.641 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.845 -10.237 14.244 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.846 -8.895 15.370 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.652 -10.368 17.036 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.829 -11.705 15.917 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.214 -11.645 16.050 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.212 -10.067 16.813 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.918 -11.144 18.761 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.259 -12.696 18.022 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.900 -11.976 19.749 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.602 -12.338 18.246 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.387 -10.720 18.715 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.328 -8.864 16.602 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.371 -9.120 17.600 1.00 25.00 C ATOM 1490 C GLU A 88 -2.755 -8.805 17.027 1.00 25.00 C ATOM 1491 O GLU A 88 -3.736 -9.460 17.377 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.105 -8.334 18.895 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.058 -6.830 18.712 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.682 -6.079 19.973 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.795 -6.638 21.081 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.341 -4.882 19.862 1.00 25.00 O ATOM 0 H GLU A 88 0.264 -8.056 16.796 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.347 -10.180 17.853 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.882 -8.576 19.620 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.158 -8.667 19.320 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.340 -6.590 17.928 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.033 -6.483 18.369 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.823 -7.858 16.095 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.067 -7.551 15.411 1.00 25.00 C ATOM 1505 C LEU A 89 -4.581 -8.782 14.676 1.00 25.00 C ATOM 1506 O LEU A 89 -5.714 -9.200 14.871 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.852 -6.410 14.408 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.608 -5.127 14.738 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.910 -4.266 15.778 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.825 -4.313 13.458 1.00 25.00 C ATOM 0 H LEU A 89 -2.028 -7.292 15.799 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.803 -7.243 16.154 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.787 -6.186 14.355 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.155 -6.751 13.418 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.563 -5.428 15.169 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.502 -3.370 15.965 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.803 -4.830 16.705 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -2.924 -3.980 15.411 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.365 -3.397 13.697 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -3.860 -4.061 13.019 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.405 -4.901 12.747 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.751 -9.361 13.823 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.190 -10.491 13.008 1.00 25.00 C ATOM 1524 C ILE A 90 -4.370 -11.734 13.876 1.00 25.00 C ATOM 1525 O ILE A 90 -5.291 -12.517 13.660 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.190 -10.824 11.864 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.904 -9.587 10.991 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.781 -11.929 10.955 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.672 -9.757 10.087 1.00 25.00 C ATOM 0 H ILE A 90 -2.783 -9.075 13.675 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.139 -10.198 12.559 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.262 -11.159 12.327 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.776 -9.378 10.371 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.757 -8.721 11.636 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.076 -12.158 10.156 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.964 -12.827 11.546 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.719 -11.581 10.523 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.525 -8.852 9.498 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.791 -9.936 10.703 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.826 -10.604 9.418 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.508 -11.905 14.869 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.564 -13.081 15.742 1.00 25.00 C ATOM 1543 C ASP A 91 -4.920 -13.205 16.423 1.00 25.00 C ATOM 1544 O ASP A 91 -5.411 -14.308 16.637 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.467 -13.007 16.806 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.363 -14.278 17.620 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.728 -15.241 17.140 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.894 -14.312 18.753 1.00 25.00 O ATOM 0 H ASP A 91 -2.761 -11.248 15.094 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.409 -13.960 15.117 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.510 -12.809 16.323 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.668 -12.168 17.472 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.549 -12.077 16.730 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.866 -12.088 17.370 1.00 25.00 C ATOM 1555 C LYS A 92 -7.934 -11.412 16.515 1.00 25.00 C ATOM 1556 O LYS A 92 -8.913 -10.881 17.037 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.779 -11.444 18.762 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.821 -12.166 19.748 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.503 -13.286 20.581 1.00 25.00 C ATOM 1560 CE LYS A 92 -6.756 -14.598 19.810 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.508 -15.304 19.358 1.00 25.00 N ATOM 0 H LYS A 92 -5.174 -11.146 16.549 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.172 -13.128 17.479 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.453 -10.410 18.650 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.777 -11.418 19.199 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.994 -12.598 19.185 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.393 -11.430 20.429 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.881 -13.505 21.449 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.455 -12.912 20.957 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -7.331 -15.273 20.444 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -7.371 -14.379 18.937 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -5.480 -15.328 18.319 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -4.673 -14.797 19.716 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.507 -16.277 19.726 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.794 -11.491 15.194 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.815 -10.929 14.291 1.00 25.00 C ATOM 1577 C LYS A 93 -10.116 -11.713 14.426 1.00 25.00 C ATOM 1578 O LYS A 93 -11.192 -11.208 14.149 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.344 -10.925 12.824 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.238 -12.305 12.145 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.827 -12.156 10.678 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.635 -13.516 10.000 1.00 25.00 C ATOM 1583 NZ LYS A 93 -7.383 -13.390 8.509 1.00 25.00 N ATOM 0 H LYS A 93 -7.002 -11.929 14.724 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.983 -9.892 14.583 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.031 -10.309 12.244 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.367 -10.443 12.778 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.508 -12.920 12.672 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.196 -12.822 12.209 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.588 -11.588 10.143 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.901 -11.585 10.616 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.797 -14.035 10.465 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -8.521 -14.129 10.165 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -7.378 -14.336 8.077 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -8.135 -12.816 8.077 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -6.463 -12.932 8.350 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.987 -12.946 14.886 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.110 -13.863 15.075 1.00 25.00 C ATOM 1599 C GLU A 94 -12.162 -13.363 16.070 1.00 25.00 C ATOM 1600 O GLU A 94 -13.329 -13.711 15.960 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.561 -15.214 15.565 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.455 -15.080 16.631 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.037 -16.415 17.222 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -8.830 -17.377 16.458 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.849 -16.476 18.458 1.00 25.00 O ATOM 0 H GLU A 94 -9.086 -13.349 15.144 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.613 -13.950 14.112 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.381 -15.803 15.976 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.167 -15.768 14.713 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.585 -14.598 16.186 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.806 -14.428 17.431 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.747 -12.551 17.035 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.651 -12.070 18.087 1.00 25.00 C ATOM 1614 C VAL A 95 -12.769 -10.550 18.062 1.00 25.00 C ATOM 1615 O VAL A 95 -13.294 -9.939 18.990 1.00 25.00 O ATOM 1616 CB VAL A 95 -12.162 -12.539 19.495 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.232 -14.073 19.602 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.716 -12.067 19.771 1.00 25.00 C ATOM 0 H VAL A 95 -10.790 -12.208 17.116 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.635 -12.497 17.893 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.820 -12.093 20.240 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.888 -14.385 20.588 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.261 -14.401 19.456 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.596 -14.520 18.838 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.404 -12.409 20.758 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -10.048 -12.481 19.016 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.675 -10.978 19.734 1.00 25.00 H new ATOM 1628 N ASN A 96 -12.264 -9.933 17.004 1.00 25.00 N ATOM 1629 CA ASN A 96 -12.265 -8.475 16.901 1.00 25.00 C ATOM 1630 C ASN A 96 -12.816 -8.007 15.546 1.00 25.00 C ATOM 1631 O ASN A 96 -12.097 -8.012 14.542 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.845 -7.955 17.110 1.00 25.00 C ATOM 1633 CG ASN A 96 -10.803 -6.463 17.292 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -11.449 -5.713 16.571 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -10.051 -6.022 18.258 1.00 25.00 N ATOM 0 H ASN A 96 -11.849 -10.414 16.206 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.920 -8.072 17.674 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -10.409 -8.438 17.985 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.230 -8.232 16.254 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -9.985 -5.020 18.436 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -9.528 -6.678 18.837 1.00 25.00 H new ATOM 1642 N PRO A 97 -14.094 -7.587 15.497 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.635 -7.215 14.183 1.00 25.00 C ATOM 1644 C PRO A 97 -14.063 -5.933 13.571 1.00 25.00 C ATOM 1645 O PRO A 97 -14.007 -5.815 12.351 1.00 25.00 O ATOM 1646 CB PRO A 97 -16.134 -7.073 14.460 1.00 25.00 C ATOM 1647 CG PRO A 97 -16.207 -6.667 15.884 1.00 25.00 C ATOM 1648 CD PRO A 97 -15.119 -7.470 16.553 1.00 25.00 C ATOM 0 HA PRO A 97 -14.372 -7.963 13.435 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.590 -6.326 13.810 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.661 -8.011 14.286 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -16.042 -5.596 16.002 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -17.185 -6.887 16.312 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.731 -6.965 17.438 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -15.479 -8.447 16.876 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.599 -4.990 14.388 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.995 -3.765 13.856 1.00 25.00 C ATOM 1658 C GLN A 98 -11.732 -4.136 13.108 1.00 25.00 C ATOM 1659 O GLN A 98 -11.426 -3.580 12.061 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.630 -2.788 14.979 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.681 -1.721 15.238 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.971 -2.285 15.800 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.967 -3.246 16.554 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -16.074 -1.690 15.436 1.00 25.00 N ATOM 0 H GLN A 98 -13.627 -5.046 15.406 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.717 -3.280 13.198 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.466 -3.352 15.897 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.687 -2.301 14.731 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -13.279 -0.984 15.934 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -13.895 -1.196 14.307 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -16.037 -0.890 14.804 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -16.973 -2.025 15.783 1.00 25.00 H new ATOM 1673 N VAL A 99 -11.007 -5.097 13.649 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.790 -5.567 13.018 1.00 25.00 C ATOM 1675 C VAL A 99 -10.101 -6.387 11.786 1.00 25.00 C ATOM 1676 O VAL A 99 -9.526 -6.166 10.736 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.980 -6.443 13.985 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.949 -7.267 13.234 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.329 -5.570 15.046 1.00 25.00 C ATOM 0 H VAL A 99 -11.240 -5.567 14.524 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.211 -4.687 12.738 1.00 25.00 H new ATOM 0 HB VAL A 99 -9.653 -7.142 14.480 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.388 -7.879 13.940 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.453 -7.913 12.515 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.265 -6.602 12.707 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.755 -6.195 15.730 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.664 -4.851 14.568 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -9.100 -5.037 15.602 1.00 25.00 H new ATOM 1689 N MET A 100 -10.978 -7.366 11.917 1.00 25.00 N ATOM 1690 CA MET A 100 -11.235 -8.293 10.826 1.00 25.00 C ATOM 1691 C MET A 100 -11.804 -7.560 9.603 1.00 25.00 C ATOM 1692 O MET A 100 -11.480 -7.892 8.469 1.00 25.00 O ATOM 1693 CB MET A 100 -12.189 -9.374 11.309 1.00 25.00 C ATOM 1694 CG MET A 100 -11.840 -10.801 10.867 1.00 25.00 C ATOM 1695 SD MET A 100 -11.602 -11.035 9.090 1.00 25.00 S ATOM 1696 CE MET A 100 -13.289 -10.858 8.457 1.00 25.00 C ATOM 0 H MET A 100 -11.522 -7.541 12.762 1.00 25.00 H new ATOM 0 HA MET A 100 -10.297 -8.754 10.516 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.222 -9.346 12.398 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.192 -9.136 10.954 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.929 -11.108 11.381 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.634 -11.469 11.200 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.286 -10.980 7.374 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.928 -11.619 8.906 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.671 -9.869 8.710 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.574 -6.503 9.834 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.064 -5.671 8.735 1.00 25.00 C ATOM 1708 C ALA A 101 -11.894 -5.040 7.975 1.00 25.00 C ATOM 1709 O ALA A 101 -11.946 -4.891 6.763 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.988 -4.575 9.275 1.00 25.00 C ATOM 0 H ALA A 101 -12.872 -6.202 10.762 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.625 -6.304 8.047 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.347 -3.962 8.448 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.837 -5.032 9.783 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.438 -3.950 9.979 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.846 -4.666 8.697 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.670 -4.060 8.093 1.00 25.00 C ATOM 1718 C ALA A 102 -8.883 -5.120 7.337 1.00 25.00 C ATOM 1719 O ALA A 102 -8.332 -4.850 6.282 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.785 -3.432 9.177 1.00 25.00 C ATOM 0 H ALA A 102 -10.788 -4.773 9.710 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.986 -3.280 7.400 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.907 -2.981 8.714 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.349 -2.665 9.708 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.469 -4.203 9.880 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.826 -6.320 7.894 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.083 -7.418 7.282 1.00 25.00 C ATOM 1728 C VAL A 103 -8.691 -7.735 5.928 1.00 25.00 C ATOM 1729 O VAL A 103 -7.990 -7.731 4.919 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.111 -8.699 8.174 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.452 -9.877 7.459 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.395 -8.440 9.509 1.00 25.00 C ATOM 0 H VAL A 103 -9.286 -6.562 8.772 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.044 -7.107 7.172 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.154 -8.947 8.369 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.484 -10.757 8.101 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.986 -10.085 6.532 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.414 -9.631 7.233 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.424 -9.343 10.119 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.358 -8.164 9.318 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.895 -7.629 10.039 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.997 -7.964 5.905 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.686 -8.310 4.671 1.00 25.00 C ATOM 1744 C ALA A 104 -10.556 -7.174 3.660 1.00 25.00 C ATOM 1745 O ALA A 104 -10.258 -7.403 2.495 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.162 -8.608 4.961 1.00 25.00 C ATOM 0 H ALA A 104 -10.600 -7.916 6.727 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.228 -9.203 4.246 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.670 -8.866 4.032 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.234 -9.443 5.658 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.632 -7.727 5.399 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.736 -5.944 4.117 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.620 -4.798 3.227 1.00 25.00 C ATOM 1754 C GLN A 105 -9.220 -4.673 2.649 1.00 25.00 C ATOM 1755 O GLN A 105 -9.069 -4.352 1.486 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.987 -3.507 3.955 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.483 -3.239 3.937 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.856 -1.968 4.665 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.342 -0.895 4.380 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.761 -2.080 5.601 1.00 25.00 N ATOM 0 H GLN A 105 -10.960 -5.715 5.085 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.318 -4.961 2.406 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.643 -3.565 4.988 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.465 -2.670 3.491 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.824 -3.175 2.904 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -13.004 -4.081 4.393 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.167 -2.992 5.811 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -14.061 -1.256 6.122 1.00 25.00 H new ATOM 1769 N THR A 106 -8.187 -4.926 3.436 1.00 25.00 N ATOM 1770 CA THR A 106 -6.832 -4.782 2.920 1.00 25.00 C ATOM 1771 C THR A 106 -6.560 -5.888 1.897 1.00 25.00 C ATOM 1772 O THR A 106 -5.933 -5.638 0.877 1.00 25.00 O ATOM 1773 CB THR A 106 -5.790 -4.788 4.053 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.166 -3.836 5.047 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.422 -4.379 3.551 1.00 25.00 C ATOM 0 H THR A 106 -8.254 -5.224 4.409 1.00 25.00 H new ATOM 0 HA THR A 106 -6.744 -3.815 2.425 1.00 25.00 H new ATOM 0 HB THR A 106 -5.751 -5.801 4.452 1.00 25.00 H new ATOM 0 HG1 THR A 106 -7.018 -4.104 5.451 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.712 -4.394 4.378 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.095 -5.075 2.778 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.473 -3.373 3.135 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.096 -7.082 2.119 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.967 -8.163 1.133 1.00 25.00 C ATOM 1785 C GLU A 107 -7.624 -7.756 -0.196 1.00 25.00 C ATOM 1786 O GLU A 107 -7.056 -7.985 -1.264 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.583 -9.468 1.670 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.757 -10.084 2.798 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.355 -11.360 3.385 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.434 -11.301 4.007 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.669 -12.413 3.318 1.00 25.00 O ATOM 0 H GLU A 107 -7.618 -7.331 2.959 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.907 -8.340 0.953 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.592 -9.268 2.030 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.672 -10.186 0.855 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.757 -10.303 2.423 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.645 -9.349 3.595 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.779 -7.105 -0.137 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.453 -6.614 -1.350 1.00 25.00 C ATOM 1800 C GLU A 108 -8.640 -5.510 -2.038 1.00 25.00 C ATOM 1801 O GLU A 108 -8.469 -5.510 -3.262 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.827 -6.025 -1.004 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.859 -7.028 -0.519 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.160 -6.343 -0.112 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.131 -5.489 0.809 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.204 -6.631 -0.733 1.00 25.00 O ATOM 0 H GLU A 108 -9.274 -6.901 0.731 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.556 -7.469 -2.018 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.695 -5.264 -0.235 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.221 -5.521 -1.887 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.060 -7.754 -1.307 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.458 -7.582 0.330 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.165 -4.556 -1.251 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.451 -3.390 -1.781 1.00 25.00 C ATOM 1815 C ILE A 109 -6.160 -3.811 -2.459 1.00 25.00 C ATOM 1816 O ILE A 109 -5.827 -3.295 -3.515 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.129 -2.357 -0.653 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.435 -1.742 -0.120 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.212 -1.208 -1.178 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.326 -1.187 1.305 1.00 25.00 C ATOM 0 H ILE A 109 -8.259 -4.562 -0.235 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.106 -2.917 -2.513 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.607 -2.888 0.143 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.746 -0.940 -0.789 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.218 -2.500 -0.145 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.007 -0.507 -0.369 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.274 -1.628 -1.540 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.714 -0.685 -1.992 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.287 -0.771 1.608 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.046 -1.989 1.988 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.567 -0.405 1.334 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.450 -4.766 -1.884 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.179 -5.209 -2.456 1.00 25.00 C ATOM 1834 C LEU A 110 -4.389 -5.833 -3.832 1.00 25.00 C ATOM 1835 O LEU A 110 -3.589 -5.623 -4.738 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.514 -6.221 -1.519 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.555 -5.683 -0.435 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.917 -4.300 0.136 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.492 -6.711 0.699 1.00 25.00 C ATOM 0 H LEU A 110 -5.724 -5.249 -1.029 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.531 -4.340 -2.570 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.303 -6.781 -1.018 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.960 -6.931 -2.133 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.589 -5.540 -0.920 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.182 -4.014 0.889 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.919 -3.564 -0.668 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.906 -4.342 0.592 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.819 -6.352 1.478 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.489 -6.853 1.117 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.123 -7.660 0.310 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.479 -6.570 -3.996 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.783 -7.220 -5.274 1.00 25.00 C ATOM 1853 C LYS A 111 -6.260 -6.233 -6.336 1.00 25.00 C ATOM 1854 O LYS A 111 -6.042 -6.442 -7.522 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.842 -8.277 -5.052 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.340 -9.396 -4.172 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.481 -10.246 -3.757 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.088 -11.156 -2.607 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.033 -12.158 -2.979 1.00 25.00 N ATOM 0 H LYS A 111 -6.170 -6.736 -3.264 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.861 -7.668 -5.644 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.720 -7.821 -4.595 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.157 -8.684 -6.013 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -5.604 -9.994 -4.709 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -5.839 -8.987 -3.295 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.319 -9.616 -3.458 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -7.819 -10.846 -4.602 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.726 -10.548 -1.778 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.973 -11.684 -2.252 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -5.711 -12.656 -2.125 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -6.429 -12.845 -3.652 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -5.228 -11.668 -3.418 1.00 25.00 H new