USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=26 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 32:sc= 1.22 USER MOD Set 1.2: A 106 THR OG1 : rot 79:sc= 2.31 USER MOD Set 2.1: A 21 THR OG1 : rot 155:sc= 0.67 USER MOD Set 2.2: A 96 ASN : amide:sc= 0.771 K(o=1.8,f=-0.24) USER MOD Set 2.3: A 98 GLN : amide:sc= 0.378 K(o=1.8,f=-0.095) USER MOD Set 3.1: A 84 ASN : amide:sc= 1.48 K(o=2.5,f=-2.2) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 174:sc= 0.976 (180deg=0) USER MOD Set 4.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 74 LYS NZ :NH3+ -168:sc= 1.35 (180deg=1.09) USER MOD Set 5.1: A 42 CYS SG : rot -26:sc= -0.503 USER MOD Set 5.2: A 62 CYS SG : rot -144:sc= 0.483 USER MOD Single : A 3 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 6 SER OG : rot -31:sc= 0.18 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.479 K(o=-0.48,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= -1.62! C(o=-1.6!,f=-3.6!) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.433 (180deg=-0.537!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00517) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0148) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.22 (180deg=0.827) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -1.15 (180deg=-2.1!) USER MOD Single : A 41 THR OG1 : rot 78:sc= 0.972 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.19) USER MOD Single : A 64 GLN : amide:sc= -0.0914 X(o=-0.091,f=-0.091) USER MOD Single : A 68 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.065) USER MOD Single : A 69 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 78 THR OG1 : rot -34:sc= 0.00657 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -99:sc= 0.323 USER MOD Single : A 92 LYS NZ :NH3+ -179:sc= 0.667 (180deg=0.654) USER MOD Single : A 93 LYS NZ :NH3+ 142:sc= 0.163 (180deg=-0.00905) USER MOD Single : A 100 MET CE :methyl 153:sc= -0.11 (180deg=-0.563) USER MOD Single : A 105 GLN : amide:sc=-0.00904 K(o=-0.009,f=-1.5) USER MOD Single : A 111 LYS NZ :NH3+ -113:sc= -0.21 (180deg=-0.624) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.419 0.990 1.855 1.00 25.00 N ATOM 44 CA GLY A 2 0.930 1.820 2.950 1.00 25.00 C ATOM 45 C GLY A 2 0.516 3.210 2.519 1.00 25.00 C ATOM 46 O GLY A 2 -0.451 3.760 3.042 1.00 25.00 O ATOM 0 HA2 GLY A 2 0.079 1.325 3.418 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.708 1.901 3.709 1.00 25.00 H new ATOM 50 N GLN A 3 1.215 3.768 1.540 1.00 25.00 N ATOM 51 CA GLN A 3 0.867 5.093 1.018 1.00 25.00 C ATOM 52 C GLN A 3 -0.545 5.055 0.437 1.00 25.00 C ATOM 53 O GLN A 3 -1.324 5.985 0.597 1.00 25.00 O ATOM 54 CB GLN A 3 1.849 5.511 -0.087 1.00 25.00 C ATOM 55 CG GLN A 3 3.276 5.751 0.398 1.00 25.00 C ATOM 56 CD GLN A 3 4.221 6.105 -0.740 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.983 7.033 -1.507 1.00 25.00 O ATOM 58 NE2 GLN A 3 5.284 5.364 -0.865 1.00 25.00 N ATOM 0 H GLN A 3 2.021 3.333 1.091 1.00 25.00 H new ATOM 0 HA GLN A 3 0.920 5.814 1.834 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.864 4.738 -0.855 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.480 6.422 -0.559 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.277 6.557 1.132 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.640 4.857 0.905 1.00 25.00 H new ATOM 0 HE21 GLN A 3 5.453 4.600 -0.211 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.948 5.547 -1.617 1.00 25.00 H new ATOM 67 N GLU A 4 -0.854 3.961 -0.236 1.00 25.00 N ATOM 68 CA GLU A 4 -2.134 3.779 -0.904 1.00 25.00 C ATOM 69 C GLU A 4 -3.252 3.471 0.094 1.00 25.00 C ATOM 70 O GLU A 4 -4.359 3.979 -0.024 1.00 25.00 O ATOM 71 CB GLU A 4 -1.970 2.648 -1.915 1.00 25.00 C ATOM 72 CG GLU A 4 -3.104 2.478 -2.863 1.00 25.00 C ATOM 73 CD GLU A 4 -2.602 2.036 -4.236 1.00 25.00 C ATOM 74 OE1 GLU A 4 -1.726 1.131 -4.298 1.00 25.00 O ATOM 75 OE2 GLU A 4 -2.988 2.673 -5.235 1.00 25.00 O ATOM 0 H GLU A 4 -0.221 3.168 -0.336 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.423 4.700 -1.410 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.060 2.824 -2.489 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.828 1.714 -1.372 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.803 1.739 -2.472 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.650 3.417 -2.955 1.00 25.00 H new ATOM 82 N LEU A 5 -2.950 2.687 1.115 1.00 25.00 N ATOM 83 CA LEU A 5 -3.941 2.395 2.160 1.00 25.00 C ATOM 84 C LEU A 5 -4.298 3.657 2.956 1.00 25.00 C ATOM 85 O LEU A 5 -5.461 3.875 3.266 1.00 25.00 O ATOM 86 CB LEU A 5 -3.453 1.290 3.116 1.00 25.00 C ATOM 87 CG LEU A 5 -3.692 -0.195 2.732 1.00 25.00 C ATOM 88 CD1 LEU A 5 -5.086 -0.443 2.221 1.00 25.00 C ATOM 89 CD2 LEU A 5 -2.690 -0.692 1.723 1.00 25.00 C ATOM 0 H LEU A 5 -2.042 2.242 1.250 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.837 2.036 1.654 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.381 1.425 3.256 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -3.925 1.460 4.084 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.562 -0.756 3.657 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -5.198 -1.497 1.967 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -5.809 -0.176 2.992 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -5.262 0.165 1.333 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -2.899 -1.735 1.486 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.760 -0.093 0.815 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -1.685 -0.608 2.136 1.00 25.00 H new ATOM 101 N SER A 6 -3.321 4.516 3.228 1.00 25.00 N ATOM 102 CA SER A 6 -3.583 5.806 3.887 1.00 25.00 C ATOM 103 C SER A 6 -4.358 6.772 2.986 1.00 25.00 C ATOM 104 O SER A 6 -4.874 7.782 3.457 1.00 25.00 O ATOM 105 CB SER A 6 -2.264 6.480 4.276 1.00 25.00 C ATOM 106 OG SER A 6 -2.502 7.599 5.116 1.00 25.00 O ATOM 0 H SER A 6 -2.340 4.349 3.006 1.00 25.00 H new ATOM 0 HA SER A 6 -4.185 5.587 4.769 1.00 25.00 H new ATOM 0 HB2 SER A 6 -1.621 5.764 4.789 1.00 25.00 H new ATOM 0 HB3 SER A 6 -1.734 6.799 3.378 1.00 25.00 H new ATOM 0 HG SER A 6 -3.367 8.000 4.890 1.00 25.00 H new ATOM 112 N GLN A 7 -4.403 6.476 1.696 1.00 25.00 N ATOM 113 CA GLN A 7 -5.102 7.308 0.717 1.00 25.00 C ATOM 114 C GLN A 7 -6.532 6.783 0.522 1.00 25.00 C ATOM 115 O GLN A 7 -7.425 7.504 0.080 1.00 25.00 O ATOM 116 CB GLN A 7 -4.316 7.261 -0.602 1.00 25.00 C ATOM 117 CG GLN A 7 -4.807 8.181 -1.704 1.00 25.00 C ATOM 118 CD GLN A 7 -3.910 8.107 -2.925 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.225 9.061 -3.258 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.887 6.967 -3.573 1.00 25.00 N ATOM 0 H GLN A 7 -3.957 5.652 1.294 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.166 8.339 1.064 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.275 7.505 -0.390 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.334 6.237 -0.976 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -5.825 7.908 -1.981 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -4.840 9.207 -1.336 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.474 6.193 -3.264 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.282 6.855 -4.386 1.00 25.00 H new ATOM 129 N HIS A 8 -6.749 5.522 0.865 1.00 25.00 N ATOM 130 CA HIS A 8 -8.056 4.898 0.717 1.00 25.00 C ATOM 131 C HIS A 8 -8.989 5.296 1.862 1.00 25.00 C ATOM 132 O HIS A 8 -9.070 4.612 2.870 1.00 25.00 O ATOM 133 CB HIS A 8 -7.909 3.375 0.658 1.00 25.00 C ATOM 134 CG HIS A 8 -9.094 2.687 0.059 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.040 1.834 -1.016 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.410 2.748 0.392 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.277 1.426 -1.285 1.00 25.00 C ATOM 138 NE2 HIS A 8 -11.157 1.964 -0.463 1.00 25.00 N ATOM 0 H HIS A 8 -6.032 4.907 1.250 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.497 5.249 -0.216 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.021 3.125 0.077 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.748 2.994 1.666 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -8.197 1.561 -1.521 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.814 3.327 1.209 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -10.530 0.739 -2.079 1.00 25.00 H new ATOM 146 N GLU A 9 -9.700 6.399 1.693 1.00 25.00 N ATOM 147 CA GLU A 9 -10.577 6.960 2.735 1.00 25.00 C ATOM 148 C GLU A 9 -11.464 5.944 3.461 1.00 25.00 C ATOM 149 O GLU A 9 -11.592 5.985 4.669 1.00 25.00 O ATOM 150 CB GLU A 9 -11.496 8.006 2.107 1.00 25.00 C ATOM 151 CG GLU A 9 -10.773 9.137 1.392 1.00 25.00 C ATOM 152 CD GLU A 9 -11.741 9.996 0.603 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.380 9.447 -0.327 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.885 11.193 0.912 1.00 25.00 O ATOM 0 H GLU A 9 -9.692 6.941 0.829 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.900 7.376 3.481 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.158 7.510 1.397 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.127 8.432 2.887 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.247 9.754 2.121 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.020 8.724 0.721 1.00 25.00 H new ATOM 161 N ARG A 10 -12.077 5.028 2.726 1.00 25.00 N ATOM 162 CA ARG A 10 -12.997 4.049 3.329 1.00 25.00 C ATOM 163 C ARG A 10 -12.256 3.162 4.335 1.00 25.00 C ATOM 164 O ARG A 10 -12.746 2.898 5.429 1.00 25.00 O ATOM 165 CB ARG A 10 -13.644 3.171 2.242 1.00 25.00 C ATOM 166 CG ARG A 10 -14.761 3.852 1.401 1.00 25.00 C ATOM 167 CD ARG A 10 -14.271 4.996 0.482 1.00 25.00 C ATOM 168 NE ARG A 10 -13.196 4.576 -0.438 1.00 25.00 N ATOM 169 CZ ARG A 10 -12.494 5.392 -1.220 1.00 25.00 C ATOM 170 NH1 ARG A 10 -12.688 6.686 -1.241 1.00 25.00 N ATOM 171 NH2 ARG A 10 -11.569 4.892 -1.989 1.00 25.00 N ATOM 0 H ARG A 10 -11.962 4.934 1.717 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.780 4.600 3.851 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.862 2.829 1.564 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.063 2.285 2.719 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.248 3.094 0.787 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.517 4.247 2.079 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.112 5.373 -0.099 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.913 5.821 1.098 1.00 25.00 H new ATOM 0 HE ARG A 10 -12.974 3.581 -0.477 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -13.400 7.105 -0.642 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -12.127 7.276 -1.856 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -11.391 3.888 -1.986 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -11.023 5.505 -2.594 1.00 25.00 H new ATOM 185 N TYR A 11 -11.061 2.740 3.958 1.00 25.00 N ATOM 186 CA TYR A 11 -10.205 1.927 4.815 1.00 25.00 C ATOM 187 C TYR A 11 -9.730 2.767 5.996 1.00 25.00 C ATOM 188 O TYR A 11 -9.771 2.329 7.142 1.00 25.00 O ATOM 189 CB TYR A 11 -9.012 1.446 3.991 1.00 25.00 C ATOM 190 CG TYR A 11 -8.082 0.494 4.699 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.457 -0.842 4.933 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.797 0.911 5.100 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.559 -1.753 5.546 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.893 -0.002 5.706 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.283 -1.322 5.922 1.00 25.00 C ATOM 196 OH TYR A 11 -5.395 -2.196 6.494 1.00 25.00 O ATOM 0 H TYR A 11 -10.653 2.950 3.047 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.754 1.066 5.197 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.386 0.960 3.090 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.439 2.316 3.669 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.441 -1.178 4.642 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.496 1.937 4.945 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.860 -2.775 5.722 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.906 0.326 5.998 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.544 -3.096 6.135 1.00 25.00 H new ATOM 206 N VAL A 12 -9.320 3.996 5.712 1.00 25.00 N ATOM 207 CA VAL A 12 -8.870 4.928 6.752 1.00 25.00 C ATOM 208 C VAL A 12 -9.952 5.170 7.811 1.00 25.00 C ATOM 209 O VAL A 12 -9.650 5.187 8.999 1.00 25.00 O ATOM 210 CB VAL A 12 -8.433 6.289 6.125 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.116 7.332 7.203 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.195 6.091 5.250 1.00 25.00 C ATOM 0 H VAL A 12 -9.288 4.378 4.767 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.013 4.466 7.243 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.266 6.652 5.523 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -7.816 8.266 6.728 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.002 7.504 7.814 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.305 6.968 7.834 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -6.899 7.047 4.817 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.379 5.699 5.857 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.423 5.386 4.451 1.00 25.00 H new ATOM 222 N GLU A 13 -11.205 5.330 7.414 1.00 25.00 N ATOM 223 CA GLU A 13 -12.270 5.575 8.390 1.00 25.00 C ATOM 224 C GLU A 13 -12.589 4.345 9.235 1.00 25.00 C ATOM 225 O GLU A 13 -13.005 4.472 10.385 1.00 25.00 O ATOM 226 CB GLU A 13 -13.541 6.100 7.716 1.00 25.00 C ATOM 227 CG GLU A 13 -13.377 7.501 7.115 1.00 25.00 C ATOM 228 CD GLU A 13 -12.705 8.474 8.077 1.00 25.00 C ATOM 229 OE1 GLU A 13 -13.184 8.646 9.221 1.00 25.00 O ATOM 230 OE2 GLU A 13 -11.643 9.029 7.718 1.00 25.00 O ATOM 0 H GLU A 13 -11.512 5.297 6.442 1.00 25.00 H new ATOM 0 HA GLU A 13 -11.890 6.343 9.063 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.838 5.407 6.929 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.350 6.118 8.447 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -12.788 7.434 6.201 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.356 7.890 6.835 1.00 25.00 H new ATOM 237 N GLN A 14 -12.322 3.152 8.727 1.00 25.00 N ATOM 238 CA GLN A 14 -12.479 1.966 9.551 1.00 25.00 C ATOM 239 C GLN A 14 -11.277 1.940 10.514 1.00 25.00 C ATOM 240 O GLN A 14 -11.429 1.704 11.716 1.00 25.00 O ATOM 241 CB GLN A 14 -12.607 0.715 8.653 1.00 25.00 C ATOM 242 CG GLN A 14 -11.511 -0.338 8.780 1.00 25.00 C ATOM 243 CD GLN A 14 -11.471 -0.995 10.151 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.447 -1.003 10.822 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.575 -1.547 10.561 1.00 25.00 N ATOM 0 H GLN A 14 -12.004 2.981 7.773 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.393 1.977 10.145 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.563 0.238 8.869 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.643 1.044 7.615 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.663 -1.105 8.020 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.545 0.125 8.577 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.408 -1.520 9.973 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -12.608 -2.007 11.471 1.00 25.00 H new ATOM 254 N LEU A 15 -10.097 2.269 9.998 1.00 25.00 N ATOM 255 CA LEU A 15 -8.878 2.298 10.802 1.00 25.00 C ATOM 256 C LEU A 15 -8.924 3.366 11.882 1.00 25.00 C ATOM 257 O LEU A 15 -8.211 3.257 12.872 1.00 25.00 O ATOM 258 CB LEU A 15 -7.634 2.520 9.940 1.00 25.00 C ATOM 259 CG LEU A 15 -7.048 1.353 9.134 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.724 1.845 8.534 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.789 0.108 9.988 1.00 25.00 C ATOM 0 H LEU A 15 -9.958 2.521 9.019 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.817 1.320 11.278 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.865 3.319 9.235 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.846 2.891 10.595 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.766 1.057 8.370 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.270 1.045 7.950 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.913 2.703 7.889 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.047 2.137 9.337 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.375 -0.683 9.362 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -6.082 0.351 10.781 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.726 -0.232 10.429 1.00 25.00 H new ATOM 273 N LYS A 16 -9.739 4.401 11.702 1.00 25.00 N ATOM 274 CA LYS A 16 -9.907 5.442 12.727 1.00 25.00 C ATOM 275 C LYS A 16 -10.246 4.780 14.055 1.00 25.00 C ATOM 276 O LYS A 16 -9.775 5.205 15.109 1.00 25.00 O ATOM 277 CB LYS A 16 -11.041 6.403 12.342 1.00 25.00 C ATOM 278 CG LYS A 16 -10.625 7.851 12.096 1.00 25.00 C ATOM 279 CD LYS A 16 -9.914 8.022 10.753 1.00 25.00 C ATOM 280 CE LYS A 16 -9.672 9.491 10.420 1.00 25.00 C ATOM 281 NZ LYS A 16 -10.970 10.211 10.171 1.00 25.00 N ATOM 0 H LYS A 16 -10.295 4.547 10.860 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.979 6.008 12.809 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.523 6.024 11.441 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.790 6.389 13.134 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -11.507 8.491 12.124 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.966 8.181 12.900 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -8.961 7.494 10.777 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -10.512 7.565 9.965 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -9.138 9.970 11.241 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -9.035 9.567 9.539 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -10.959 10.626 9.218 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -11.760 9.539 10.247 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.089 10.966 10.876 1.00 25.00 H new ATOM 295 N GLN A 17 -11.027 3.710 13.995 1.00 25.00 N ATOM 296 CA GLN A 17 -11.367 2.948 15.187 1.00 25.00 C ATOM 297 C GLN A 17 -10.205 2.045 15.600 1.00 25.00 C ATOM 298 O GLN A 17 -9.800 2.051 16.751 1.00 25.00 O ATOM 299 CB GLN A 17 -12.612 2.093 14.935 1.00 25.00 C ATOM 300 CG GLN A 17 -13.841 2.906 14.541 1.00 25.00 C ATOM 301 CD GLN A 17 -15.063 2.037 14.356 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.474 1.331 15.258 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.644 2.084 13.187 1.00 25.00 N ATOM 0 H GLN A 17 -11.437 3.351 13.133 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.571 3.654 15.992 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.395 1.373 14.146 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.838 1.521 15.835 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.041 3.654 15.308 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.637 3.445 13.616 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.270 2.688 12.455 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.472 1.516 13.006 1.00 25.00 H new ATOM 312 N ALA A 18 -9.670 1.268 14.668 1.00 25.00 N ATOM 313 CA ALA A 18 -8.609 0.304 14.982 1.00 25.00 C ATOM 314 C ALA A 18 -7.308 0.928 15.544 1.00 25.00 C ATOM 315 O ALA A 18 -6.742 0.406 16.504 1.00 25.00 O ATOM 316 CB ALA A 18 -8.307 -0.539 13.742 1.00 25.00 C ATOM 0 H ALA A 18 -9.949 1.282 13.687 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.993 -0.318 15.791 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.519 -1.256 13.973 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.207 -1.074 13.438 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.980 0.111 12.931 1.00 25.00 H new ATOM 322 N LEU A 19 -6.842 2.037 14.980 1.00 25.00 N ATOM 323 CA LEU A 19 -5.633 2.698 15.496 1.00 25.00 C ATOM 324 C LEU A 19 -5.911 3.171 16.927 1.00 25.00 C ATOM 325 O LEU A 19 -5.074 3.036 17.818 1.00 25.00 O ATOM 326 CB LEU A 19 -5.227 3.915 14.634 1.00 25.00 C ATOM 327 CG LEU A 19 -3.995 3.773 13.708 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.344 3.183 12.341 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.345 5.145 13.484 1.00 25.00 C ATOM 0 H LEU A 19 -7.270 2.497 14.177 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.812 1.981 15.468 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.082 4.184 14.013 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.044 4.754 15.306 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.311 3.090 14.211 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.441 3.108 11.736 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.777 2.191 12.472 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.064 3.829 11.839 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.479 5.035 12.831 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.066 5.818 13.020 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.028 5.558 14.442 1.00 25.00 H new ATOM 341 N LYS A 20 -7.104 3.713 17.141 1.00 25.00 N ATOM 342 CA LYS A 20 -7.495 4.231 18.454 1.00 25.00 C ATOM 343 C LYS A 20 -7.671 3.121 19.484 1.00 25.00 C ATOM 344 O LYS A 20 -7.295 3.287 20.638 1.00 25.00 O ATOM 345 CB LYS A 20 -8.804 5.021 18.320 1.00 25.00 C ATOM 346 CG LYS A 20 -9.313 5.628 19.624 1.00 25.00 C ATOM 347 CD LYS A 20 -10.630 6.365 19.404 1.00 25.00 C ATOM 348 CE LYS A 20 -11.271 6.771 20.733 1.00 25.00 C ATOM 349 NZ LYS A 20 -10.413 7.727 21.516 1.00 25.00 N ATOM 0 H LYS A 20 -7.822 3.807 16.422 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.693 4.879 18.806 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.658 5.821 17.594 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.572 4.361 17.917 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.451 4.842 20.366 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.569 6.317 20.024 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.455 7.253 18.796 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.317 5.728 18.847 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -12.240 7.231 20.540 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.455 5.879 21.332 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -10.905 7.998 22.391 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -9.510 7.268 21.754 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -10.229 8.576 20.945 1.00 25.00 H new ATOM 363 N THR A 21 -8.248 2.002 19.074 1.00 25.00 N ATOM 364 CA THR A 21 -8.560 0.902 19.993 1.00 25.00 C ATOM 365 C THR A 21 -7.297 0.249 20.555 1.00 25.00 C ATOM 366 O THR A 21 -7.308 -0.319 21.641 1.00 25.00 O ATOM 367 CB THR A 21 -9.483 -0.152 19.297 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.446 -0.637 20.232 1.00 25.00 O ATOM 369 CG2 THR A 21 -8.710 -1.347 18.735 1.00 25.00 C ATOM 0 H THR A 21 -8.514 1.825 18.105 1.00 25.00 H new ATOM 0 HA THR A 21 -9.100 1.325 20.840 1.00 25.00 H new ATOM 0 HB THR A 21 -9.962 0.358 18.461 1.00 25.00 H new ATOM 0 HG1 THR A 21 -11.237 -0.957 19.750 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.406 -2.042 18.265 1.00 25.00 H new ATOM 0 HG22 THR A 21 -7.990 -0.999 17.995 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.183 -1.853 19.544 1.00 25.00 H new ATOM 377 N ARG A 22 -6.183 0.377 19.840 1.00 25.00 N ATOM 378 CA ARG A 22 -4.909 -0.149 20.329 1.00 25.00 C ATOM 379 C ARG A 22 -4.302 0.761 21.385 1.00 25.00 C ATOM 380 O ARG A 22 -3.374 0.372 22.077 1.00 25.00 O ATOM 381 CB ARG A 22 -3.920 -0.304 19.167 1.00 25.00 C ATOM 382 CG ARG A 22 -4.051 -1.609 18.381 1.00 25.00 C ATOM 383 CD ARG A 22 -3.336 -2.776 19.082 1.00 25.00 C ATOM 384 NE ARG A 22 -4.140 -3.347 20.178 1.00 25.00 N ATOM 385 CZ ARG A 22 -3.650 -3.903 21.282 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.373 -3.997 21.515 1.00 25.00 N ATOM 387 NH2 ARG A 22 -4.475 -4.380 22.169 1.00 25.00 N ATOM 0 H ARG A 22 -6.134 0.835 18.930 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.105 -1.122 20.780 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.054 0.532 18.480 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -2.906 -0.234 19.560 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -5.106 -1.853 18.256 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.634 -1.475 17.383 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.115 -3.555 18.352 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.381 -2.430 19.477 1.00 25.00 H new ATOM 0 HE ARG A 22 -5.155 -3.313 20.082 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -1.703 -3.636 20.836 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.042 -4.432 22.376 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -5.481 -4.324 22.012 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -4.115 -4.810 23.021 1.00 25.00 H new ATOM 401 N GLY A 23 -4.782 1.996 21.454 1.00 25.00 N ATOM 402 CA GLY A 23 -4.236 2.978 22.380 1.00 25.00 C ATOM 403 C GLY A 23 -2.891 3.507 21.918 1.00 25.00 C ATOM 404 O GLY A 23 -2.251 4.312 22.597 1.00 25.00 O ATOM 0 H GLY A 23 -5.550 2.341 20.878 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -4.936 3.807 22.484 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.129 2.526 23.366 1.00 25.00 H new ATOM 408 N VAL A 24 -2.443 3.030 20.767 1.00 25.00 N ATOM 409 CA VAL A 24 -1.131 3.381 20.247 1.00 25.00 C ATOM 410 C VAL A 24 -1.151 4.829 19.743 1.00 25.00 C ATOM 411 O VAL A 24 -2.008 5.238 18.956 1.00 25.00 O ATOM 412 CB VAL A 24 -0.670 2.343 19.160 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.591 2.340 17.925 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.776 2.593 18.749 1.00 25.00 C ATOM 0 H VAL A 24 -2.973 2.394 20.172 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.386 3.330 21.041 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.739 1.355 19.616 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.230 1.607 17.204 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.606 2.082 18.228 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.590 3.329 17.468 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.072 1.862 17.996 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.868 3.597 18.336 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.424 2.498 19.621 1.00 25.00 H new ATOM 424 N LYS A 25 -0.233 5.634 20.257 1.00 25.00 N ATOM 425 CA LYS A 25 -0.198 7.057 19.926 1.00 25.00 C ATOM 426 C LYS A 25 0.720 7.283 18.733 1.00 25.00 C ATOM 427 O LYS A 25 1.884 7.631 18.891 1.00 25.00 O ATOM 428 CB LYS A 25 0.278 7.858 21.144 1.00 25.00 C ATOM 429 CG LYS A 25 -0.654 7.705 22.360 1.00 25.00 C ATOM 430 CD LYS A 25 -0.124 8.410 23.611 1.00 25.00 C ATOM 431 CE LYS A 25 -0.234 9.932 23.515 1.00 25.00 C ATOM 432 NZ LYS A 25 0.240 10.582 24.788 1.00 25.00 N ATOM 0 H LYS A 25 0.496 5.331 20.903 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.198 7.398 19.659 1.00 25.00 H new ATOM 0 HB2 LYS A 25 1.281 7.532 21.418 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.347 8.912 20.875 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -1.636 8.107 22.111 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -0.789 6.645 22.576 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.679 8.063 24.483 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.919 8.133 23.766 1.00 25.00 H new ATOM 0 HE2 LYS A 25 0.359 10.292 22.674 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -1.268 10.215 23.320 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 0.157 11.615 24.702 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.343 10.253 25.584 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 1.234 10.328 24.959 1.00 25.00 H new ATOM 446 N VAL A 26 0.172 7.107 17.541 1.00 25.00 N ATOM 447 CA VAL A 26 0.918 7.287 16.291 1.00 25.00 C ATOM 448 C VAL A 26 0.096 8.120 15.327 1.00 25.00 C ATOM 449 O VAL A 26 -1.127 8.199 15.433 1.00 25.00 O ATOM 450 CB VAL A 26 1.264 5.913 15.613 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.354 5.200 16.408 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.020 5.024 15.503 1.00 25.00 C ATOM 0 H VAL A 26 -0.802 6.835 17.405 1.00 25.00 H new ATOM 0 HA VAL A 26 1.853 7.792 16.533 1.00 25.00 H new ATOM 0 HB VAL A 26 1.627 6.110 14.605 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.588 4.248 15.931 1.00 25.00 H new ATOM 0 HG12 VAL A 26 3.249 5.821 16.437 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.004 5.020 17.425 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.289 4.079 15.030 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.378 4.831 16.499 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.736 5.529 14.902 1.00 25.00 H new ATOM 462 N LYS A 27 0.773 8.748 14.379 1.00 25.00 N ATOM 463 CA LYS A 27 0.093 9.512 13.338 1.00 25.00 C ATOM 464 C LYS A 27 -0.296 8.482 12.291 1.00 25.00 C ATOM 465 O LYS A 27 0.464 7.564 12.044 1.00 25.00 O ATOM 466 CB LYS A 27 1.044 10.566 12.753 1.00 25.00 C ATOM 467 CG LYS A 27 0.381 11.547 11.776 1.00 25.00 C ATOM 468 CD LYS A 27 1.405 12.490 11.113 1.00 25.00 C ATOM 469 CE LYS A 27 2.049 13.489 12.098 1.00 25.00 C ATOM 470 NZ LYS A 27 1.055 14.469 12.675 1.00 25.00 N ATOM 0 H LYS A 27 1.790 8.746 14.306 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.777 10.052 13.712 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.487 11.132 13.572 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.860 10.057 12.240 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.148 10.987 11.004 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.364 12.139 12.308 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.190 11.893 10.649 1.00 25.00 H new ATOM 0 HD3 LYS A 27 0.912 13.045 10.315 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.521 12.937 12.911 1.00 25.00 H new ATOM 0 HE3 LYS A 27 2.838 14.039 11.586 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 1.549 15.136 13.302 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.597 14.994 11.903 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 0.334 13.953 13.218 1.00 25.00 H new ATOM 484 N PHE A 28 -1.447 8.646 11.658 1.00 25.00 N ATOM 485 CA PHE A 28 -1.891 7.713 10.618 1.00 25.00 C ATOM 486 C PHE A 28 -0.838 7.514 9.538 1.00 25.00 C ATOM 487 O PHE A 28 -0.483 6.392 9.208 1.00 25.00 O ATOM 488 CB PHE A 28 -3.159 8.255 9.963 1.00 25.00 C ATOM 489 CG PHE A 28 -4.367 7.424 10.219 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.184 7.672 11.338 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.710 6.388 9.337 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.332 6.891 11.573 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.851 5.604 9.562 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.667 5.860 10.677 1.00 25.00 C ATOM 0 H PHE A 28 -2.094 9.413 11.841 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.075 6.752 11.098 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.341 9.266 10.326 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.999 8.327 8.887 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.928 8.468 12.022 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.089 6.192 8.476 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.952 7.083 12.436 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.102 4.805 8.880 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.552 5.265 10.846 1.00 25.00 H new ATOM 504 N ALA A 29 -0.317 8.617 9.019 1.00 25.00 N ATOM 505 CA ALA A 29 0.695 8.565 7.972 1.00 25.00 C ATOM 506 C ALA A 29 1.958 7.834 8.438 1.00 25.00 C ATOM 507 O ALA A 29 2.641 7.220 7.639 1.00 25.00 O ATOM 508 CB ALA A 29 1.040 9.989 7.520 1.00 25.00 C ATOM 0 H ALA A 29 -0.579 9.560 9.306 1.00 25.00 H new ATOM 0 HA ALA A 29 0.286 8.003 7.132 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.797 9.949 6.737 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.144 10.475 7.134 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.424 10.557 8.367 1.00 25.00 H new ATOM 514 N ASP A 30 2.265 7.909 9.727 1.00 25.00 N ATOM 515 CA ASP A 30 3.459 7.255 10.263 1.00 25.00 C ATOM 516 C ASP A 30 3.211 5.760 10.444 1.00 25.00 C ATOM 517 O ASP A 30 4.088 4.947 10.192 1.00 25.00 O ATOM 518 CB ASP A 30 3.867 7.879 11.600 1.00 25.00 C ATOM 519 CG ASP A 30 5.326 7.619 11.936 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.192 8.192 11.241 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.619 6.887 12.896 1.00 25.00 O ATOM 0 H ASP A 30 1.710 8.412 10.419 1.00 25.00 H new ATOM 0 HA ASP A 30 4.271 7.397 9.550 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.690 8.954 11.566 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.237 7.477 12.393 1.00 25.00 H new ATOM 526 N LEU A 31 1.994 5.401 10.837 1.00 25.00 N ATOM 527 CA LEU A 31 1.624 3.996 11.020 1.00 25.00 C ATOM 528 C LEU A 31 1.654 3.288 9.672 1.00 25.00 C ATOM 529 O LEU A 31 2.338 2.281 9.491 1.00 25.00 O ATOM 530 CB LEU A 31 0.226 3.893 11.658 1.00 25.00 C ATOM 531 CG LEU A 31 -0.342 2.504 12.038 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.094 1.890 10.881 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.710 1.515 12.512 1.00 25.00 C ATOM 0 H LEU A 31 1.243 6.062 11.036 1.00 25.00 H new ATOM 0 HA LEU A 31 2.338 3.516 11.689 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.235 4.500 12.563 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.481 4.357 10.970 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.013 2.695 12.875 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.482 0.915 11.176 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.922 2.540 10.599 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.421 1.771 10.032 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.233 0.567 12.759 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.443 1.357 11.721 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.209 1.911 13.396 1.00 25.00 H new ATOM 545 N LEU A 32 0.937 3.840 8.708 1.00 25.00 N ATOM 546 CA LEU A 32 0.920 3.273 7.355 1.00 25.00 C ATOM 547 C LEU A 32 2.281 3.337 6.672 1.00 25.00 C ATOM 548 O LEU A 32 2.545 2.577 5.756 1.00 25.00 O ATOM 549 CB LEU A 32 -0.119 3.958 6.466 1.00 25.00 C ATOM 550 CG LEU A 32 -1.586 3.496 6.571 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.749 1.980 6.492 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.208 4.016 7.827 1.00 25.00 C ATOM 0 H LEU A 32 0.361 4.673 8.827 1.00 25.00 H new ATOM 0 HA LEU A 32 0.651 2.225 7.483 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.090 5.026 6.682 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.196 3.834 5.430 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.101 3.911 5.705 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.805 1.723 6.572 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.360 1.621 5.539 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.199 1.512 7.308 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.244 3.681 7.886 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.656 3.641 8.689 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.179 5.106 7.823 1.00 25.00 H new ATOM 564 N LYS A 33 3.174 4.196 7.129 1.00 25.00 N ATOM 565 CA LYS A 33 4.536 4.215 6.568 1.00 25.00 C ATOM 566 C LYS A 33 5.220 2.862 6.808 1.00 25.00 C ATOM 567 O LYS A 33 6.010 2.411 5.989 1.00 25.00 O ATOM 568 CB LYS A 33 5.354 5.383 7.149 1.00 25.00 C ATOM 569 CG LYS A 33 6.607 5.004 7.937 1.00 25.00 C ATOM 570 CD LYS A 33 7.154 6.220 8.649 1.00 25.00 C ATOM 571 CE LYS A 33 8.312 5.849 9.553 1.00 25.00 C ATOM 572 NZ LYS A 33 8.605 6.955 10.523 1.00 25.00 N ATOM 0 H LYS A 33 3.000 4.878 7.867 1.00 25.00 H new ATOM 0 HA LYS A 33 4.474 4.375 5.492 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.650 6.035 6.328 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.703 5.966 7.800 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.370 4.224 8.661 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.361 4.596 7.264 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.483 6.957 7.916 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.364 6.686 9.238 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.076 4.935 10.097 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.197 5.642 8.952 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.910 6.549 11.431 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.361 7.559 10.142 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.747 7.525 10.669 1.00 25.00 H new ATOM 586 N PHE A 34 4.863 2.180 7.887 1.00 25.00 N ATOM 587 CA PHE A 34 5.410 0.852 8.157 1.00 25.00 C ATOM 588 C PHE A 34 4.698 -0.225 7.345 1.00 25.00 C ATOM 589 O PHE A 34 5.294 -1.239 7.013 1.00 25.00 O ATOM 590 CB PHE A 34 5.371 0.557 9.652 1.00 25.00 C ATOM 591 CG PHE A 34 6.441 1.283 10.411 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.740 0.743 10.507 1.00 25.00 C ATOM 593 CD2 PHE A 34 6.177 2.530 10.997 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.768 1.451 11.176 1.00 25.00 C ATOM 595 CE2 PHE A 34 7.192 3.246 11.666 1.00 25.00 C ATOM 596 CZ PHE A 34 8.491 2.710 11.750 1.00 25.00 C ATOM 0 H PHE A 34 4.202 2.518 8.587 1.00 25.00 H new ATOM 0 HA PHE A 34 6.453 0.841 7.840 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.395 0.838 10.049 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.483 -0.516 9.810 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.953 -0.220 10.066 1.00 25.00 H new ATOM 0 HD2 PHE A 34 5.183 2.948 10.935 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.760 1.029 11.247 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.973 4.204 12.113 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.273 3.260 12.252 1.00 25.00 H new ATOM 606 N PHE A 35 3.466 0.035 6.932 1.00 25.00 N ATOM 607 CA PHE A 35 2.774 -0.866 6.001 1.00 25.00 C ATOM 608 C PHE A 35 3.482 -0.735 4.648 1.00 25.00 C ATOM 609 O PHE A 35 3.578 -1.681 3.887 1.00 25.00 O ATOM 610 CB PHE A 35 1.292 -0.489 5.825 1.00 25.00 C ATOM 611 CG PHE A 35 0.387 -0.932 6.957 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.722 -0.715 8.314 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.845 -1.546 6.656 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.156 -1.118 9.348 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.734 -1.938 7.686 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.385 -1.728 9.031 1.00 25.00 C ATOM 0 H PHE A 35 2.924 0.850 7.218 1.00 25.00 H new ATOM 0 HA PHE A 35 2.806 -1.883 6.392 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.217 0.593 5.720 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.928 -0.926 4.895 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.658 -0.237 8.564 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.115 -1.720 5.625 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.117 -0.958 10.381 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.679 -2.398 7.438 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.057 -2.034 9.819 1.00 25.00 H new ATOM 626 N ASP A 36 4.004 0.446 4.356 1.00 25.00 N ATOM 627 CA ASP A 36 4.718 0.668 3.098 1.00 25.00 C ATOM 628 C ASP A 36 6.104 0.028 3.140 1.00 25.00 C ATOM 629 O ASP A 36 6.624 -0.412 2.121 1.00 25.00 O ATOM 630 CB ASP A 36 4.840 2.162 2.812 1.00 25.00 C ATOM 631 CG ASP A 36 4.905 2.456 1.333 1.00 25.00 C ATOM 632 OD1 ASP A 36 4.036 1.952 0.592 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.781 3.223 0.902 1.00 25.00 O ATOM 0 H ASP A 36 3.950 1.263 4.964 1.00 25.00 H new ATOM 0 HA ASP A 36 4.146 0.200 2.297 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.988 2.684 3.247 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.735 2.551 3.298 1.00 25.00 H new ATOM 638 N PHE A 37 6.664 -0.080 4.336 1.00 25.00 N ATOM 639 CA PHE A 37 7.951 -0.746 4.533 1.00 25.00 C ATOM 640 C PHE A 37 7.817 -2.252 4.273 1.00 25.00 C ATOM 641 O PHE A 37 8.755 -2.891 3.796 1.00 25.00 O ATOM 642 CB PHE A 37 8.455 -0.478 5.956 1.00 25.00 C ATOM 643 CG PHE A 37 9.875 -0.920 6.195 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.943 -0.305 5.512 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.157 -1.946 7.116 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.283 -0.712 5.744 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.493 -2.361 7.356 1.00 25.00 C ATOM 648 CZ PHE A 37 12.556 -1.741 6.669 1.00 25.00 C ATOM 0 H PHE A 37 6.247 0.286 5.192 1.00 25.00 H new ATOM 0 HA PHE A 37 8.677 -0.347 3.824 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.378 0.589 6.163 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.802 -0.988 6.664 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.740 0.485 4.804 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.347 -2.424 7.647 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.093 -0.234 5.213 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.695 -3.151 8.064 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.574 -2.052 6.850 1.00 25.00 H new ATOM 658 N VAL A 38 6.622 -2.796 4.491 1.00 25.00 N ATOM 659 CA VAL A 38 6.348 -4.194 4.130 1.00 25.00 C ATOM 660 C VAL A 38 6.526 -4.326 2.652 1.00 25.00 C ATOM 661 O VAL A 38 7.138 -5.258 2.180 1.00 25.00 O ATOM 662 CB VAL A 38 4.870 -4.632 4.383 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.640 -6.110 3.984 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.505 -4.422 5.788 1.00 25.00 C ATOM 0 H VAL A 38 5.834 -2.302 4.910 1.00 25.00 H new ATOM 0 HA VAL A 38 7.017 -4.803 4.738 1.00 25.00 H new ATOM 0 HB VAL A 38 4.230 -4.012 3.755 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.601 -6.381 4.173 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.861 -6.240 2.925 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.295 -6.752 4.573 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.472 -4.733 5.946 1.00 25.00 H new ATOM 0 HG22 VAL A 38 5.163 -5.011 6.427 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.608 -3.366 6.037 1.00 25.00 H new ATOM 674 N LYS A 39 5.941 -3.395 1.919 1.00 25.00 N ATOM 675 CA LYS A 39 5.899 -3.506 0.478 1.00 25.00 C ATOM 676 C LYS A 39 7.309 -3.559 -0.103 1.00 25.00 C ATOM 677 O LYS A 39 7.599 -4.360 -0.981 1.00 25.00 O ATOM 678 CB LYS A 39 5.148 -2.307 -0.115 1.00 25.00 C ATOM 679 CG LYS A 39 5.063 -2.274 -1.647 1.00 25.00 C ATOM 680 CD LYS A 39 4.804 -0.849 -2.181 1.00 25.00 C ATOM 681 CE LYS A 39 6.089 0.017 -2.229 1.00 25.00 C ATOM 682 NZ LYS A 39 6.464 0.688 -0.917 1.00 25.00 N ATOM 0 H LYS A 39 5.493 -2.561 2.298 1.00 25.00 H new ATOM 0 HA LYS A 39 5.379 -4.429 0.221 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.135 -2.299 0.288 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.633 -1.392 0.225 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.992 -2.656 -2.070 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.264 -2.937 -1.980 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.377 -0.913 -3.182 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.064 -0.358 -1.549 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.920 -0.612 -2.548 1.00 25.00 H new ATOM 0 HE3 LYS A 39 5.961 0.787 -2.990 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.116 1.476 -1.104 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 5.606 1.051 -0.455 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.927 -0.004 -0.293 1.00 25.00 H new ATOM 696 N ASP A 40 8.171 -2.680 0.389 1.00 25.00 N ATOM 697 CA ASP A 40 9.530 -2.555 -0.145 1.00 25.00 C ATOM 698 C ASP A 40 10.418 -3.751 0.206 1.00 25.00 C ATOM 699 O ASP A 40 11.365 -4.051 -0.512 1.00 25.00 O ATOM 700 CB ASP A 40 10.188 -1.271 0.379 1.00 25.00 C ATOM 701 CG ASP A 40 9.539 -0.010 -0.177 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.256 0.046 -1.396 1.00 25.00 O ATOM 703 OD2 ASP A 40 9.271 0.921 0.609 1.00 25.00 O ATOM 0 H ASP A 40 7.959 -2.042 1.156 1.00 25.00 H new ATOM 0 HA ASP A 40 9.435 -2.520 -1.230 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.129 -1.255 1.467 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.246 -1.276 0.117 1.00 25.00 H new ATOM 708 N THR A 41 10.124 -4.424 1.312 1.00 25.00 N ATOM 709 CA THR A 41 10.943 -5.563 1.754 1.00 25.00 C ATOM 710 C THR A 41 10.340 -6.906 1.318 1.00 25.00 C ATOM 711 O THR A 41 11.037 -7.899 1.145 1.00 25.00 O ATOM 712 CB THR A 41 11.090 -5.556 3.299 1.00 25.00 C ATOM 713 OG1 THR A 41 11.264 -4.211 3.756 1.00 25.00 O ATOM 714 CG2 THR A 41 12.305 -6.353 3.745 1.00 25.00 C ATOM 0 H THR A 41 9.333 -4.209 1.919 1.00 25.00 H new ATOM 0 HA THR A 41 11.920 -5.453 1.284 1.00 25.00 H new ATOM 0 HB THR A 41 10.189 -6.004 3.717 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.397 -3.755 3.768 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.378 -6.327 4.832 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.205 -7.386 3.412 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.205 -5.918 3.311 1.00 25.00 H new ATOM 722 N CYS A 42 9.027 -6.927 1.158 1.00 25.00 N ATOM 723 CA CYS A 42 8.283 -8.131 0.796 1.00 25.00 C ATOM 724 C CYS A 42 7.370 -7.865 -0.401 1.00 25.00 C ATOM 725 O CYS A 42 6.160 -7.687 -0.235 1.00 25.00 O ATOM 726 CB CYS A 42 7.420 -8.573 1.979 1.00 25.00 C ATOM 727 SG CYS A 42 8.376 -9.054 3.414 1.00 25.00 S ATOM 0 H CYS A 42 8.438 -6.103 1.276 1.00 25.00 H new ATOM 0 HA CYS A 42 8.999 -8.910 0.534 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.749 -7.759 2.254 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.795 -9.411 1.670 1.00 25.00 H new ATOM 0 HG CYS A 42 9.551 -9.463 3.036 1.00 25.00 H new ATOM 733 N PRO A 43 7.920 -7.881 -1.626 1.00 25.00 N ATOM 734 CA PRO A 43 7.065 -7.621 -2.793 1.00 25.00 C ATOM 735 C PRO A 43 6.101 -8.773 -3.063 1.00 25.00 C ATOM 736 O PRO A 43 5.089 -8.618 -3.735 1.00 25.00 O ATOM 737 CB PRO A 43 8.079 -7.452 -3.927 1.00 25.00 C ATOM 738 CG PRO A 43 9.223 -8.317 -3.522 1.00 25.00 C ATOM 739 CD PRO A 43 9.317 -8.152 -2.024 1.00 25.00 C ATOM 0 HA PRO A 43 6.418 -6.754 -2.662 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.662 -7.764 -4.885 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.385 -6.412 -4.037 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.049 -9.358 -3.796 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.146 -8.009 -4.013 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.706 -9.050 -1.544 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.980 -7.331 -1.750 1.00 25.00 H new ATOM 747 N TRP A 44 6.399 -9.925 -2.482 1.00 25.00 N ATOM 748 CA TRP A 44 5.534 -11.088 -2.579 1.00 25.00 C ATOM 749 C TRP A 44 4.338 -11.001 -1.629 1.00 25.00 C ATOM 750 O TRP A 44 3.412 -11.782 -1.739 1.00 25.00 O ATOM 751 CB TRP A 44 6.339 -12.352 -2.272 1.00 25.00 C ATOM 752 CG TRP A 44 7.372 -12.154 -1.187 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.161 -11.799 0.106 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.800 -12.302 -1.311 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.329 -11.722 0.806 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.365 -12.026 -0.030 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.663 -12.640 -2.375 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.751 -12.079 0.211 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.060 -12.694 -2.135 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.587 -12.410 -0.840 1.00 25.00 C ATOM 0 H TRP A 44 7.244 -10.079 -1.932 1.00 25.00 H new ATOM 0 HA TRP A 44 5.145 -11.124 -3.596 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.655 -13.146 -1.972 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.837 -12.687 -3.182 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.187 -11.602 0.529 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.415 -11.477 1.793 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.266 -12.854 -3.356 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.151 -11.867 1.191 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.731 -12.953 -2.941 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.654 -12.454 -0.678 1.00 25.00 H new ATOM 771 N PHE A 45 4.339 -10.068 -0.685 1.00 25.00 N ATOM 772 CA PHE A 45 3.214 -9.987 0.251 1.00 25.00 C ATOM 773 C PHE A 45 1.920 -9.488 -0.423 1.00 25.00 C ATOM 774 O PHE A 45 0.891 -10.160 -0.326 1.00 25.00 O ATOM 775 CB PHE A 45 3.556 -9.143 1.480 1.00 25.00 C ATOM 776 CG PHE A 45 2.535 -9.260 2.574 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.616 -10.307 3.513 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.469 -8.348 2.658 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.645 -10.442 4.535 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.488 -8.479 3.666 1.00 25.00 C ATOM 781 CZ PHE A 45 0.578 -9.525 4.611 1.00 25.00 C ATOM 0 H PHE A 45 5.076 -9.377 -0.545 1.00 25.00 H new ATOM 0 HA PHE A 45 3.025 -11.006 0.589 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.529 -9.449 1.864 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.644 -8.098 1.183 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.429 -11.016 3.453 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.399 -7.540 1.945 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.722 -11.245 5.253 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.332 -7.778 3.714 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.167 -9.621 5.387 1.00 25.00 H new ATOM 791 N PRO A 46 1.955 -8.351 -1.164 1.00 25.00 N ATOM 792 CA PRO A 46 0.684 -8.055 -1.842 1.00 25.00 C ATOM 793 C PRO A 46 0.357 -9.050 -2.959 1.00 25.00 C ATOM 794 O PRO A 46 -0.795 -9.214 -3.320 1.00 25.00 O ATOM 795 CB PRO A 46 0.911 -6.645 -2.398 1.00 25.00 C ATOM 796 CG PRO A 46 2.366 -6.582 -2.642 1.00 25.00 C ATOM 797 CD PRO A 46 2.967 -7.315 -1.470 1.00 25.00 C ATOM 0 HA PRO A 46 -0.169 -8.129 -1.168 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.346 -6.483 -3.316 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.593 -5.881 -1.689 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.633 -7.055 -3.587 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.718 -5.552 -2.691 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.931 -7.756 -1.722 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.133 -6.651 -0.622 1.00 25.00 H new ATOM 805 N GLN A 47 1.372 -9.748 -3.459 1.00 25.00 N ATOM 806 CA GLN A 47 1.174 -10.780 -4.477 1.00 25.00 C ATOM 807 C GLN A 47 0.383 -11.967 -3.904 1.00 25.00 C ATOM 808 O GLN A 47 -0.451 -12.548 -4.586 1.00 25.00 O ATOM 809 CB GLN A 47 2.537 -11.247 -4.995 1.00 25.00 C ATOM 810 CG GLN A 47 2.472 -12.133 -6.224 1.00 25.00 C ATOM 811 CD GLN A 47 3.852 -12.491 -6.733 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.722 -12.895 -5.976 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.062 -12.332 -8.014 1.00 25.00 N ATOM 0 H GLN A 47 2.343 -9.619 -3.176 1.00 25.00 H new ATOM 0 HA GLN A 47 0.597 -10.360 -5.301 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.144 -10.371 -5.226 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.048 -11.788 -4.199 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.925 -13.045 -5.986 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.915 -11.623 -7.010 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.311 -11.993 -8.616 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.976 -12.548 -8.412 1.00 25.00 H new ATOM 822 N GLU A 48 0.629 -12.310 -2.643 1.00 25.00 N ATOM 823 CA GLU A 48 -0.141 -13.368 -1.981 1.00 25.00 C ATOM 824 C GLU A 48 -1.558 -12.859 -1.699 1.00 25.00 C ATOM 825 O GLU A 48 -2.520 -13.627 -1.732 1.00 25.00 O ATOM 826 CB GLU A 48 0.522 -13.800 -0.663 1.00 25.00 C ATOM 827 CG GLU A 48 1.780 -14.665 -0.852 1.00 25.00 C ATOM 828 CD GLU A 48 2.336 -15.203 0.469 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.815 -14.843 1.547 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.226 -16.080 0.429 1.00 25.00 O ATOM 0 H GLU A 48 1.347 -11.878 -2.061 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.176 -14.234 -2.642 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.787 -12.910 -0.092 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.203 -14.356 -0.068 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.544 -15.502 -1.509 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.549 -14.075 -1.351 1.00 25.00 H new ATOM 837 N GLY A 49 -1.670 -11.563 -1.420 1.00 25.00 N ATOM 838 CA GLY A 49 -2.961 -10.897 -1.256 1.00 25.00 C ATOM 839 C GLY A 49 -3.807 -11.281 -0.052 1.00 25.00 C ATOM 840 O GLY A 49 -4.818 -10.656 0.216 1.00 25.00 O ATOM 0 H GLY A 49 -0.868 -10.944 -1.301 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.781 -9.823 -1.210 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.551 -11.083 -2.153 1.00 25.00 H new ATOM 844 N THR A 50 -3.421 -12.332 0.646 1.00 25.00 N ATOM 845 CA THR A 50 -4.197 -12.876 1.759 1.00 25.00 C ATOM 846 C THR A 50 -3.622 -12.391 3.087 1.00 25.00 C ATOM 847 O THR A 50 -2.402 -12.402 3.276 1.00 25.00 O ATOM 848 CB THR A 50 -4.120 -14.411 1.712 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.551 -14.880 0.432 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.972 -15.076 2.784 1.00 25.00 C ATOM 0 H THR A 50 -2.556 -12.840 0.461 1.00 25.00 H new ATOM 0 HA THR A 50 -5.231 -12.543 1.675 1.00 25.00 H new ATOM 0 HB THR A 50 -3.079 -14.678 1.895 1.00 25.00 H new ATOM 0 HG1 THR A 50 -4.498 -15.858 0.407 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.879 -16.159 2.703 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.633 -14.755 3.769 1.00 25.00 H new ATOM 0 HG23 THR A 50 -6.015 -14.790 2.649 1.00 25.00 H new ATOM 858 N ILE A 51 -4.481 -12.001 4.018 1.00 25.00 N ATOM 859 CA ILE A 51 -4.029 -11.537 5.329 1.00 25.00 C ATOM 860 C ILE A 51 -4.315 -12.593 6.375 1.00 25.00 C ATOM 861 O ILE A 51 -5.452 -12.882 6.728 1.00 25.00 O ATOM 862 CB ILE A 51 -4.710 -10.223 5.771 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.498 -9.108 4.742 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.170 -9.749 7.165 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.093 -8.662 4.505 1.00 25.00 C ATOM 0 H ILE A 51 -5.493 -11.995 3.894 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.959 -11.350 5.237 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.777 -10.430 5.851 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.912 -9.442 3.791 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.080 -8.242 5.057 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.667 -8.822 7.451 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.372 -10.515 7.913 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.095 -9.580 7.100 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.084 -7.870 3.756 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.669 -8.285 5.436 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.499 -9.504 4.150 1.00 25.00 H new ATOM 877 N ASP A 52 -3.240 -13.140 6.898 1.00 25.00 N ATOM 878 CA ASP A 52 -3.309 -14.105 7.988 1.00 25.00 C ATOM 879 C ASP A 52 -2.001 -14.031 8.726 1.00 25.00 C ATOM 880 O ASP A 52 -0.986 -13.607 8.168 1.00 25.00 O ATOM 881 CB ASP A 52 -3.513 -15.527 7.482 1.00 25.00 C ATOM 882 CG ASP A 52 -3.850 -16.502 8.600 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.250 -16.066 9.695 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.610 -17.708 8.406 1.00 25.00 O ATOM 0 H ASP A 52 -2.292 -12.933 6.585 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.158 -13.864 8.627 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.315 -15.535 6.744 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.609 -15.861 6.974 1.00 25.00 H new ATOM 889 N ILE A 53 -2.009 -14.459 9.972 1.00 25.00 N ATOM 890 CA ILE A 53 -0.833 -14.361 10.809 1.00 25.00 C ATOM 891 C ILE A 53 0.295 -15.227 10.270 1.00 25.00 C ATOM 892 O ILE A 53 1.451 -14.856 10.378 1.00 25.00 O ATOM 893 CB ILE A 53 -1.175 -14.711 12.290 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.071 -14.221 13.247 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.359 -16.226 12.506 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.118 -12.721 13.281 1.00 25.00 C ATOM 0 H ILE A 53 -2.819 -14.879 10.427 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.485 -13.328 10.789 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.115 -14.204 12.507 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.303 -14.567 14.254 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.872 -14.686 12.960 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.596 -16.418 13.553 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.173 -16.587 11.878 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.438 -16.746 12.241 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.915 -12.470 13.981 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.384 -12.365 12.286 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.809 -12.245 13.601 1.00 25.00 H new ATOM 908 N LYS A 54 -0.028 -16.351 9.639 1.00 25.00 N ATOM 909 CA LYS A 54 1.016 -17.239 9.115 1.00 25.00 C ATOM 910 C LYS A 54 1.761 -16.596 7.948 1.00 25.00 C ATOM 911 O LYS A 54 2.944 -16.835 7.763 1.00 25.00 O ATOM 912 CB LYS A 54 0.434 -18.607 8.719 1.00 25.00 C ATOM 913 CG LYS A 54 -0.519 -18.599 7.521 1.00 25.00 C ATOM 914 CD LYS A 54 -1.180 -19.970 7.352 1.00 25.00 C ATOM 915 CE LYS A 54 -2.212 -19.970 6.219 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.621 -19.937 6.760 1.00 25.00 N ATOM 0 H LYS A 54 -0.984 -16.669 9.477 1.00 25.00 H new ATOM 0 HA LYS A 54 1.739 -17.404 9.914 1.00 25.00 H new ATOM 0 HB2 LYS A 54 1.260 -19.283 8.499 1.00 25.00 H new ATOM 0 HB3 LYS A 54 -0.095 -19.019 9.578 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -1.284 -17.835 7.662 1.00 25.00 H new ATOM 0 HG3 LYS A 54 0.028 -18.339 6.615 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -0.415 -20.719 7.147 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.665 -20.257 8.285 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.047 -19.107 5.574 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.078 -20.859 5.602 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.292 -19.818 5.974 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.823 -20.828 7.256 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.720 -19.142 7.423 1.00 25.00 H new ATOM 930 N ARG A 55 1.084 -15.742 7.189 1.00 25.00 N ATOM 931 CA ARG A 55 1.731 -15.030 6.086 1.00 25.00 C ATOM 932 C ARG A 55 2.450 -13.806 6.628 1.00 25.00 C ATOM 933 O ARG A 55 3.526 -13.454 6.173 1.00 25.00 O ATOM 934 CB ARG A 55 0.698 -14.624 5.036 1.00 25.00 C ATOM 935 CG ARG A 55 0.031 -15.826 4.376 1.00 25.00 C ATOM 936 CD ARG A 55 -0.944 -15.372 3.319 1.00 25.00 C ATOM 937 NE ARG A 55 -1.662 -16.489 2.675 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.216 -17.205 1.648 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.030 -17.036 1.133 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.992 -18.113 1.126 1.00 25.00 N ATOM 0 H ARG A 55 0.095 -15.525 7.313 1.00 25.00 H new ATOM 0 HA ARG A 55 2.457 -15.689 5.610 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.065 -14.001 5.503 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.182 -14.016 4.271 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.788 -16.470 3.929 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.489 -16.420 5.128 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.669 -14.694 3.769 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.408 -14.806 2.558 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.579 -16.732 3.050 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.598 -16.331 1.519 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.270 -17.609 0.344 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.926 -18.265 1.506 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.665 -18.671 0.337 1.00 25.00 H new ATOM 954 N TRP A 56 1.877 -13.205 7.660 1.00 25.00 N ATOM 955 CA TRP A 56 2.487 -12.060 8.330 1.00 25.00 C ATOM 956 C TRP A 56 3.833 -12.431 8.956 1.00 25.00 C ATOM 957 O TRP A 56 4.723 -11.587 9.053 1.00 25.00 O ATOM 958 CB TRP A 56 1.528 -11.522 9.397 1.00 25.00 C ATOM 959 CG TRP A 56 1.939 -10.199 9.987 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.129 -9.911 11.299 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.215 -8.967 9.286 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.487 -8.609 11.485 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.553 -7.991 10.269 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.219 -8.588 7.929 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.895 -6.667 9.934 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.572 -7.260 7.587 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.901 -6.311 8.599 1.00 25.00 C ATOM 0 H TRP A 56 0.982 -13.493 8.057 1.00 25.00 H new ATOM 0 HA TRP A 56 2.675 -11.284 7.588 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.536 -11.419 8.958 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.447 -12.255 10.199 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.011 -10.627 12.099 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.675 -8.168 12.385 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.957 -9.300 7.161 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.146 -5.949 10.700 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.592 -6.963 6.549 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.158 -5.300 8.318 1.00 25.00 H new ATOM 978 N ARG A 57 4.007 -13.704 9.317 1.00 25.00 N ATOM 979 CA ARG A 57 5.300 -14.181 9.847 1.00 25.00 C ATOM 980 C ARG A 57 6.423 -13.849 8.877 1.00 25.00 C ATOM 981 O ARG A 57 7.438 -13.306 9.280 1.00 25.00 O ATOM 982 CB ARG A 57 5.340 -15.706 10.080 1.00 25.00 C ATOM 983 CG ARG A 57 4.233 -16.317 10.936 1.00 25.00 C ATOM 984 CD ARG A 57 3.981 -15.583 12.244 1.00 25.00 C ATOM 985 NE ARG A 57 3.289 -16.422 13.239 1.00 25.00 N ATOM 986 CZ ARG A 57 3.881 -17.257 14.088 1.00 25.00 C ATOM 987 NH1 ARG A 57 5.181 -17.439 14.108 1.00 25.00 N ATOM 988 NH2 ARG A 57 3.148 -17.920 14.938 1.00 25.00 N ATOM 0 H ARG A 57 3.283 -14.420 9.256 1.00 25.00 H new ATOM 0 HA ARG A 57 5.426 -13.675 10.804 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.322 -16.196 9.106 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.296 -15.951 10.542 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.309 -16.334 10.358 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.490 -17.353 11.157 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.932 -15.246 12.656 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.385 -14.692 12.048 1.00 25.00 H new ATOM 0 HE ARG A 57 2.272 -16.357 13.280 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.777 -16.930 13.456 1.00 25.00 H new ATOM 0 HH12 ARG A 57 5.595 -18.089 14.776 1.00 25.00 H new ATOM 0 HH21 ARG A 57 2.136 -17.794 14.945 1.00 25.00 H new ATOM 0 HH22 ARG A 57 3.587 -18.564 15.596 1.00 25.00 H new ATOM 1002 N ARG A 58 6.204 -14.136 7.595 1.00 25.00 N ATOM 1003 CA ARG A 58 7.224 -13.928 6.557 1.00 25.00 C ATOM 1004 C ARG A 58 7.752 -12.511 6.522 1.00 25.00 C ATOM 1005 O ARG A 58 8.892 -12.289 6.170 1.00 25.00 O ATOM 1006 CB ARG A 58 6.668 -14.241 5.165 1.00 25.00 C ATOM 1007 CG ARG A 58 6.241 -15.691 4.941 1.00 25.00 C ATOM 1008 CD ARG A 58 5.904 -15.920 3.458 1.00 25.00 C ATOM 1009 NE ARG A 58 7.105 -15.764 2.616 1.00 25.00 N ATOM 1010 CZ ARG A 58 7.118 -15.704 1.287 1.00 25.00 C ATOM 1011 NH1 ARG A 58 6.038 -15.794 0.557 1.00 25.00 N ATOM 1012 NH2 ARG A 58 8.260 -15.540 0.678 1.00 25.00 N ATOM 0 H ARG A 58 5.325 -14.516 7.244 1.00 25.00 H new ATOM 0 HA ARG A 58 8.037 -14.606 6.817 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.810 -13.595 4.981 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.425 -13.984 4.424 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.040 -16.365 5.249 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.373 -15.922 5.559 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.489 -16.919 3.325 1.00 25.00 H new ATOM 0 HD3 ARG A 58 5.138 -15.212 3.141 1.00 25.00 H new ATOM 0 HE ARG A 58 8.003 -15.696 3.094 1.00 25.00 H new ATOM 0 HH11 ARG A 58 5.129 -15.916 1.004 1.00 25.00 H new ATOM 0 HH12 ARG A 58 6.104 -15.742 -0.460 1.00 25.00 H new ATOM 0 HH21 ARG A 58 9.120 -15.460 1.220 1.00 25.00 H new ATOM 0 HH22 ARG A 58 8.293 -15.491 -0.340 1.00 25.00 H new ATOM 1026 N VAL A 59 6.913 -11.549 6.858 1.00 25.00 N ATOM 1027 CA VAL A 59 7.312 -10.147 6.811 1.00 25.00 C ATOM 1028 C VAL A 59 8.306 -9.853 7.921 1.00 25.00 C ATOM 1029 O VAL A 59 9.298 -9.157 7.721 1.00 25.00 O ATOM 1030 CB VAL A 59 6.080 -9.231 6.961 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.476 -7.772 6.856 1.00 25.00 C ATOM 1032 CG2 VAL A 59 5.057 -9.581 5.894 1.00 25.00 C ATOM 0 H VAL A 59 5.954 -11.707 7.166 1.00 25.00 H new ATOM 0 HA VAL A 59 7.780 -9.952 5.846 1.00 25.00 H new ATOM 0 HB VAL A 59 5.642 -9.388 7.947 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.590 -7.146 6.965 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.190 -7.531 7.644 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.933 -7.588 5.884 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.186 -8.934 5.999 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.497 -9.439 4.907 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.753 -10.621 6.009 1.00 25.00 H new ATOM 1042 N GLY A 60 8.049 -10.417 9.087 1.00 25.00 N ATOM 1043 CA GLY A 60 8.933 -10.218 10.214 1.00 25.00 C ATOM 1044 C GLY A 60 10.223 -10.975 10.005 1.00 25.00 C ATOM 1045 O GLY A 60 11.297 -10.484 10.335 1.00 25.00 O ATOM 0 H GLY A 60 7.242 -11.011 9.275 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.142 -9.156 10.338 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.448 -10.557 11.130 1.00 25.00 H new ATOM 1049 N ASP A 61 10.114 -12.149 9.398 1.00 25.00 N ATOM 1050 CA ASP A 61 11.279 -12.974 9.079 1.00 25.00 C ATOM 1051 C ASP A 61 12.173 -12.202 8.100 1.00 25.00 C ATOM 1052 O ASP A 61 13.386 -12.155 8.245 1.00 25.00 O ATOM 1053 CB ASP A 61 10.840 -14.306 8.442 1.00 25.00 C ATOM 1054 CG ASP A 61 9.921 -15.134 9.350 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.039 -15.055 10.594 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.045 -15.852 8.801 1.00 25.00 O ATOM 0 H ASP A 61 9.224 -12.557 9.113 1.00 25.00 H new ATOM 0 HA ASP A 61 11.827 -13.196 9.995 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.325 -14.101 7.504 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.725 -14.894 8.198 1.00 25.00 H new ATOM 1061 N CYS A 62 11.546 -11.541 7.134 1.00 25.00 N ATOM 1062 CA CYS A 62 12.263 -10.738 6.142 1.00 25.00 C ATOM 1063 C CYS A 62 13.002 -9.570 6.789 1.00 25.00 C ATOM 1064 O CYS A 62 14.154 -9.282 6.455 1.00 25.00 O ATOM 1065 CB CYS A 62 11.270 -10.183 5.119 1.00 25.00 C ATOM 1066 SG CYS A 62 11.857 -10.246 3.417 1.00 25.00 S ATOM 0 H CYS A 62 10.533 -11.544 7.014 1.00 25.00 H new ATOM 0 HA CYS A 62 12.994 -11.386 5.658 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.338 -10.744 5.192 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.041 -9.149 5.375 1.00 25.00 H new ATOM 0 HG CYS A 62 11.445 -9.193 2.776 1.00 25.00 H new ATOM 1072 N PHE A 63 12.347 -8.897 7.729 1.00 25.00 N ATOM 1073 CA PHE A 63 12.987 -7.783 8.422 1.00 25.00 C ATOM 1074 C PHE A 63 14.169 -8.313 9.212 1.00 25.00 C ATOM 1075 O PHE A 63 15.198 -7.660 9.291 1.00 25.00 O ATOM 1076 CB PHE A 63 12.038 -7.086 9.405 1.00 25.00 C ATOM 1077 CG PHE A 63 10.837 -6.414 8.766 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.873 -5.918 7.443 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.657 -6.246 9.519 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.741 -5.273 6.879 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.527 -5.592 8.968 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.572 -5.109 7.643 1.00 25.00 C ATOM 0 H PHE A 63 11.392 -9.097 8.025 1.00 25.00 H new ATOM 0 HA PHE A 63 13.293 -7.059 7.667 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.683 -7.821 10.128 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.601 -6.337 9.962 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.772 -6.031 6.855 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.614 -6.621 10.531 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.778 -4.908 5.863 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.633 -5.464 9.561 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.711 -4.615 7.217 1.00 25.00 H new ATOM 1092 N GLN A 64 14.014 -9.488 9.806 1.00 25.00 N ATOM 1093 CA GLN A 64 15.066 -10.073 10.629 1.00 25.00 C ATOM 1094 C GLN A 64 16.271 -10.460 9.793 1.00 25.00 C ATOM 1095 O GLN A 64 17.405 -10.206 10.193 1.00 25.00 O ATOM 1096 CB GLN A 64 14.542 -11.306 11.367 1.00 25.00 C ATOM 1097 CG GLN A 64 15.532 -11.869 12.382 1.00 25.00 C ATOM 1098 CD GLN A 64 15.882 -10.865 13.461 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.042 -10.461 14.247 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.123 -10.450 13.492 1.00 25.00 N ATOM 0 H GLN A 64 13.170 -10.056 9.734 1.00 25.00 H new ATOM 0 HA GLN A 64 15.374 -9.318 11.353 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.615 -11.048 11.879 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.299 -12.080 10.639 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.109 -12.762 12.843 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.442 -12.177 11.867 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.798 -10.811 12.818 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.415 -9.766 14.190 1.00 25.00 H new ATOM 1109 N ASP A 65 16.039 -11.059 8.637 1.00 25.00 N ATOM 1110 CA ASP A 65 17.136 -11.456 7.759 1.00 25.00 C ATOM 1111 C ASP A 65 17.938 -10.225 7.367 1.00 25.00 C ATOM 1112 O ASP A 65 19.164 -10.210 7.468 1.00 25.00 O ATOM 1113 CB ASP A 65 16.608 -12.144 6.496 1.00 25.00 C ATOM 1114 CG ASP A 65 16.211 -13.594 6.738 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.703 -14.195 7.720 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.449 -14.146 5.916 1.00 25.00 O ATOM 0 H ASP A 65 15.109 -11.282 8.283 1.00 25.00 H new ATOM 0 HA ASP A 65 17.770 -12.162 8.295 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.745 -11.593 6.121 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.372 -12.106 5.720 1.00 25.00 H new ATOM 1121 N TYR A 66 17.254 -9.170 6.954 1.00 25.00 N ATOM 1122 CA TYR A 66 17.948 -7.950 6.541 1.00 25.00 C ATOM 1123 C TYR A 66 18.645 -7.281 7.734 1.00 25.00 C ATOM 1124 O TYR A 66 19.770 -6.792 7.612 1.00 25.00 O ATOM 1125 CB TYR A 66 16.962 -6.989 5.867 1.00 25.00 C ATOM 1126 CG TYR A 66 17.603 -5.821 5.109 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.948 -5.866 4.655 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.846 -4.666 4.821 1.00 25.00 C ATOM 1129 CE1 TYR A 66 19.514 -4.774 3.942 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.414 -3.575 4.108 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.739 -3.646 3.673 1.00 25.00 C ATOM 1132 OH TYR A 66 19.283 -2.595 2.973 1.00 25.00 O ATOM 0 H TYR A 66 16.237 -9.128 6.894 1.00 25.00 H new ATOM 0 HA TYR A 66 18.720 -8.216 5.820 1.00 25.00 H new ATOM 0 HB2 TYR A 66 16.344 -7.557 5.172 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.295 -6.585 6.629 1.00 25.00 H new ATOM 0 HD1 TYR A 66 19.549 -6.741 4.854 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.818 -4.610 5.148 1.00 25.00 H new ATOM 0 HE1 TYR A 66 20.541 -4.818 3.610 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.823 -2.695 3.904 1.00 25.00 H new ATOM 0 HH TYR A 66 18.612 -1.889 2.869 1.00 25.00 H new ATOM 1142 N PHE A 67 18.007 -7.310 8.895 1.00 25.00 N ATOM 1143 CA PHE A 67 18.589 -6.750 10.119 1.00 25.00 C ATOM 1144 C PHE A 67 19.856 -7.496 10.538 1.00 25.00 C ATOM 1145 O PHE A 67 20.817 -6.883 10.973 1.00 25.00 O ATOM 1146 CB PHE A 67 17.557 -6.826 11.248 1.00 25.00 C ATOM 1147 CG PHE A 67 18.020 -6.228 12.548 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.772 -6.990 13.465 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.680 -4.906 12.882 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.193 -6.433 14.697 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.082 -4.344 14.110 1.00 25.00 C ATOM 1152 CZ PHE A 67 18.846 -5.105 15.019 1.00 25.00 C ATOM 0 H PHE A 67 17.080 -7.717 9.021 1.00 25.00 H new ATOM 0 HA PHE A 67 18.862 -5.714 9.920 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.648 -6.315 10.929 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.294 -7.871 11.415 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.030 -8.011 13.225 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.103 -4.313 12.188 1.00 25.00 H new ATOM 0 HE1 PHE A 67 19.778 -7.023 15.387 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.805 -3.329 14.355 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.163 -4.673 15.956 1.00 25.00 H new ATOM 1162 N ASN A 68 19.869 -8.815 10.420 1.00 25.00 N ATOM 1163 CA ASN A 68 21.044 -9.585 10.833 1.00 25.00 C ATOM 1164 C ASN A 68 22.176 -9.402 9.828 1.00 25.00 C ATOM 1165 O ASN A 68 23.340 -9.332 10.194 1.00 25.00 O ATOM 1166 CB ASN A 68 20.684 -11.070 11.024 1.00 25.00 C ATOM 1167 CG ASN A 68 21.321 -11.981 9.994 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.454 -12.396 10.138 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.575 -12.336 8.989 1.00 25.00 N ATOM 0 H ASN A 68 19.098 -9.371 10.050 1.00 25.00 H new ATOM 0 HA ASN A 68 21.390 -9.210 11.796 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.995 -11.386 12.020 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.601 -11.183 10.977 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.937 -12.984 8.289 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.628 -11.967 8.901 1.00 25.00 H new ATOM 1176 N THR A 69 21.811 -9.275 8.564 1.00 25.00 N ATOM 1177 CA THR A 69 22.790 -9.080 7.495 1.00 25.00 C ATOM 1178 C THR A 69 23.462 -7.705 7.559 1.00 25.00 C ATOM 1179 O THR A 69 24.661 -7.588 7.317 1.00 25.00 O ATOM 1180 CB THR A 69 22.109 -9.219 6.101 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.437 -10.478 6.023 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.122 -9.172 4.966 1.00 25.00 C ATOM 0 H THR A 69 20.842 -9.303 8.247 1.00 25.00 H new ATOM 0 HA THR A 69 23.550 -9.849 7.634 1.00 25.00 H new ATOM 0 HB THR A 69 21.415 -8.385 5.997 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.627 -10.451 6.573 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.604 -9.272 4.012 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.654 -8.221 4.992 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.834 -9.989 5.080 1.00 25.00 H new ATOM 1190 N PHE A 70 22.682 -6.657 7.805 1.00 25.00 N ATOM 1191 CA PHE A 70 23.196 -5.290 7.690 1.00 25.00 C ATOM 1192 C PHE A 70 23.009 -4.348 8.890 1.00 25.00 C ATOM 1193 O PHE A 70 23.306 -3.157 8.793 1.00 25.00 O ATOM 1194 CB PHE A 70 22.599 -4.662 6.442 1.00 25.00 C ATOM 1195 CG PHE A 70 23.620 -4.339 5.390 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.640 -3.400 5.649 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.574 -4.969 4.134 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.606 -3.089 4.660 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.535 -4.666 3.135 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.553 -3.723 3.401 1.00 25.00 C ATOM 0 H PHE A 70 21.703 -6.722 8.082 1.00 25.00 H new ATOM 0 HA PHE A 70 24.279 -5.406 7.643 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.858 -5.341 6.022 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.073 -3.749 6.720 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.685 -2.913 6.612 1.00 25.00 H new ATOM 0 HD2 PHE A 70 22.799 -5.692 3.927 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.382 -2.368 4.870 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.488 -5.155 2.173 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.287 -3.489 2.644 1.00 25.00 H new ATOM 1210 N GLY A 71 22.558 -4.877 10.016 1.00 25.00 N ATOM 1211 CA GLY A 71 22.487 -4.099 11.246 1.00 25.00 C ATOM 1212 C GLY A 71 21.278 -3.189 11.440 1.00 25.00 C ATOM 1213 O GLY A 71 20.435 -3.024 10.538 1.00 25.00 O ATOM 0 H GLY A 71 22.236 -5.841 10.106 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.522 -4.794 12.085 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.384 -3.482 11.305 1.00 25.00 H new ATOM 1217 N PRO A 72 21.164 -2.559 12.630 1.00 25.00 N ATOM 1218 CA PRO A 72 20.041 -1.668 12.953 1.00 25.00 C ATOM 1219 C PRO A 72 20.019 -0.356 12.170 1.00 25.00 C ATOM 1220 O PRO A 72 18.999 0.332 12.129 1.00 25.00 O ATOM 1221 CB PRO A 72 20.237 -1.403 14.449 1.00 25.00 C ATOM 1222 CG PRO A 72 21.695 -1.511 14.645 1.00 25.00 C ATOM 1223 CD PRO A 72 22.092 -2.670 13.774 1.00 25.00 C ATOM 0 HA PRO A 72 19.089 -2.129 12.688 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.869 -0.417 14.731 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.698 -2.130 15.057 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.207 -0.595 14.349 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.945 -1.693 15.690 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.133 -2.599 13.458 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.981 -3.622 14.293 1.00 25.00 H new ATOM 1231 N GLU A 73 21.123 -0.016 11.525 1.00 25.00 N ATOM 1232 CA GLU A 73 21.178 1.172 10.677 1.00 25.00 C ATOM 1233 C GLU A 73 20.429 0.927 9.364 1.00 25.00 C ATOM 1234 O GLU A 73 20.097 1.872 8.646 1.00 25.00 O ATOM 1235 CB GLU A 73 22.634 1.574 10.389 1.00 25.00 C ATOM 1236 CG GLU A 73 23.493 0.495 9.718 1.00 25.00 C ATOM 1237 CD GLU A 73 24.337 -0.270 10.727 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.750 -0.957 11.591 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.575 -0.142 10.690 1.00 25.00 O ATOM 0 H GLU A 73 21.995 -0.543 11.570 1.00 25.00 H new ATOM 0 HA GLU A 73 20.695 1.991 11.211 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.630 2.459 9.753 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.107 1.859 11.329 1.00 25.00 H new ATOM 0 HG2 GLU A 73 22.848 -0.202 9.183 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.145 0.959 8.978 1.00 25.00 H new ATOM 1246 N LYS A 74 20.152 -0.335 9.054 1.00 25.00 N ATOM 1247 CA LYS A 74 19.417 -0.677 7.834 1.00 25.00 C ATOM 1248 C LYS A 74 17.954 -0.941 8.107 1.00 25.00 C ATOM 1249 O LYS A 74 17.094 -0.444 7.381 1.00 25.00 O ATOM 1250 CB LYS A 74 20.033 -1.893 7.161 1.00 25.00 C ATOM 1251 CG LYS A 74 20.637 -1.573 5.810 1.00 25.00 C ATOM 1252 CD LYS A 74 21.945 -0.790 5.930 1.00 25.00 C ATOM 1253 CE LYS A 74 22.491 -0.434 4.551 1.00 25.00 C ATOM 1254 NZ LYS A 74 22.706 -1.654 3.698 1.00 25.00 N ATOM 0 H LYS A 74 20.422 -1.136 9.625 1.00 25.00 H new ATOM 0 HA LYS A 74 19.488 0.185 7.170 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.804 -2.310 7.809 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.269 -2.661 7.040 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.820 -2.500 5.267 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.923 -0.996 5.223 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.778 0.120 6.506 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.680 -1.382 6.475 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.798 0.241 4.050 1.00 25.00 H new ATOM 0 HE3 LYS A 74 23.434 0.102 4.662 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 23.261 -1.396 2.857 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 23.220 -2.374 4.245 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 21.786 -2.037 3.401 1.00 25.00 H new ATOM 1268 N VAL A 75 17.659 -1.685 9.162 1.00 25.00 N ATOM 1269 CA VAL A 75 16.270 -1.881 9.566 1.00 25.00 C ATOM 1270 C VAL A 75 16.181 -1.377 10.995 1.00 25.00 C ATOM 1271 O VAL A 75 16.957 -1.795 11.847 1.00 25.00 O ATOM 1272 CB VAL A 75 15.887 -3.396 9.521 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.440 -3.625 9.988 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.059 -3.949 8.111 1.00 25.00 C ATOM 0 H VAL A 75 18.348 -2.157 9.747 1.00 25.00 H new ATOM 0 HA VAL A 75 15.589 -1.353 8.898 1.00 25.00 H new ATOM 0 HB VAL A 75 16.557 -3.921 10.202 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.208 -4.689 9.944 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.328 -3.271 11.013 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.757 -3.077 9.339 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.788 -5.005 8.099 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.414 -3.401 7.424 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.098 -3.838 7.801 1.00 25.00 H new ATOM 1284 N PRO A 76 15.188 -0.530 11.304 1.00 25.00 N ATOM 1285 CA PRO A 76 15.160 -0.100 12.702 1.00 25.00 C ATOM 1286 C PRO A 76 14.544 -1.155 13.602 1.00 25.00 C ATOM 1287 O PRO A 76 13.667 -1.902 13.185 1.00 25.00 O ATOM 1288 CB PRO A 76 14.291 1.152 12.652 1.00 25.00 C ATOM 1289 CG PRO A 76 13.343 0.897 11.535 1.00 25.00 C ATOM 1290 CD PRO A 76 14.137 0.130 10.504 1.00 25.00 C ATOM 0 HA PRO A 76 16.154 0.075 13.113 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.764 1.308 13.593 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.889 2.045 12.470 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.481 0.323 11.874 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.961 1.831 11.122 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.517 -0.596 9.978 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.562 0.792 9.750 1.00 25.00 H new ATOM 1298 N VAL A 77 14.924 -1.162 14.869 1.00 25.00 N ATOM 1299 CA VAL A 77 14.320 -2.091 15.823 1.00 25.00 C ATOM 1300 C VAL A 77 12.829 -1.778 16.011 1.00 25.00 C ATOM 1301 O VAL A 77 12.040 -2.647 16.378 1.00 25.00 O ATOM 1302 CB VAL A 77 15.059 -2.070 17.191 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.495 -2.589 17.023 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.088 -0.653 17.790 1.00 25.00 C ATOM 0 H VAL A 77 15.637 -0.547 15.261 1.00 25.00 H new ATOM 0 HA VAL A 77 14.418 -3.095 15.411 1.00 25.00 H new ATOM 0 HB VAL A 77 14.513 -2.720 17.875 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.004 -2.570 17.987 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.471 -3.611 16.645 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.031 -1.954 16.317 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.612 -0.673 18.746 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.605 0.020 17.107 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.068 -0.301 17.942 1.00 25.00 H new ATOM 1314 N THR A 78 12.419 -0.557 15.687 1.00 25.00 N ATOM 1315 CA THR A 78 11.006 -0.197 15.787 1.00 25.00 C ATOM 1316 C THR A 78 10.189 -0.851 14.684 1.00 25.00 C ATOM 1317 O THR A 78 8.991 -1.000 14.828 1.00 25.00 O ATOM 1318 CB THR A 78 10.772 1.340 15.770 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.514 1.635 16.379 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.763 1.919 14.373 1.00 25.00 C ATOM 0 H THR A 78 13.031 0.190 15.358 1.00 25.00 H new ATOM 0 HA THR A 78 10.671 -0.572 16.754 1.00 25.00 H new ATOM 0 HB THR A 78 11.601 1.789 16.318 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.877 0.918 16.178 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.595 2.995 14.426 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.722 1.724 13.892 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.965 1.456 13.792 1.00 25.00 H new ATOM 1328 N ALA A 79 10.821 -1.294 13.603 1.00 25.00 N ATOM 1329 CA ALA A 79 10.071 -1.959 12.542 1.00 25.00 C ATOM 1330 C ALA A 79 9.470 -3.249 13.095 1.00 25.00 C ATOM 1331 O ALA A 79 8.345 -3.595 12.777 1.00 25.00 O ATOM 1332 CB ALA A 79 10.971 -2.248 11.350 1.00 25.00 C ATOM 0 H ALA A 79 11.824 -1.209 13.439 1.00 25.00 H new ATOM 0 HA ALA A 79 9.269 -1.306 12.198 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.393 -2.744 10.570 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.375 -1.312 10.963 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.791 -2.895 11.662 1.00 25.00 H new ATOM 1338 N PHE A 80 10.208 -3.923 13.966 1.00 25.00 N ATOM 1339 CA PHE A 80 9.721 -5.147 14.596 1.00 25.00 C ATOM 1340 C PHE A 80 8.654 -4.831 15.634 1.00 25.00 C ATOM 1341 O PHE A 80 7.728 -5.601 15.843 1.00 25.00 O ATOM 1342 CB PHE A 80 10.875 -5.880 15.278 1.00 25.00 C ATOM 1343 CG PHE A 80 11.991 -6.233 14.344 1.00 25.00 C ATOM 1344 CD1 PHE A 80 11.984 -7.458 13.654 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.061 -5.342 14.147 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.032 -7.792 12.776 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.110 -5.656 13.264 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.097 -6.887 12.574 1.00 25.00 C ATOM 0 H PHE A 80 11.146 -3.645 14.254 1.00 25.00 H new ATOM 0 HA PHE A 80 9.289 -5.778 13.819 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.267 -5.257 16.081 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.495 -6.792 15.739 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.167 -8.149 13.799 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.078 -4.403 14.681 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.022 -8.739 12.257 1.00 25.00 H new ATOM 0 HE2 PHE A 80 14.921 -4.959 13.115 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.898 -7.136 11.894 1.00 25.00 H new ATOM 1358 N SER A 81 8.781 -3.685 16.281 1.00 25.00 N ATOM 1359 CA SER A 81 7.810 -3.266 17.296 1.00 25.00 C ATOM 1360 C SER A 81 6.483 -2.960 16.611 1.00 25.00 C ATOM 1361 O SER A 81 5.426 -3.430 17.022 1.00 25.00 O ATOM 1362 CB SER A 81 8.313 -2.028 18.044 1.00 25.00 C ATOM 1363 OG SER A 81 7.416 -1.662 19.074 1.00 25.00 O ATOM 0 H SER A 81 9.543 -3.024 16.127 1.00 25.00 H new ATOM 0 HA SER A 81 7.676 -4.069 18.021 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.297 -2.229 18.468 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.430 -1.199 17.346 1.00 25.00 H new ATOM 0 HG SER A 81 7.758 -0.870 19.539 1.00 25.00 H new ATOM 1369 N TYR A 82 6.561 -2.235 15.507 1.00 25.00 N ATOM 1370 CA TYR A 82 5.392 -1.936 14.698 1.00 25.00 C ATOM 1371 C TYR A 82 4.806 -3.222 14.147 1.00 25.00 C ATOM 1372 O TYR A 82 3.604 -3.425 14.188 1.00 25.00 O ATOM 1373 CB TYR A 82 5.779 -1.022 13.540 1.00 25.00 C ATOM 1374 CG TYR A 82 5.548 0.438 13.834 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.311 1.027 13.526 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.556 1.245 14.418 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.081 2.407 13.772 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.323 2.627 14.666 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.088 3.191 14.328 1.00 25.00 C ATOM 1380 OH TYR A 82 4.840 4.522 14.524 1.00 25.00 O ATOM 0 H TYR A 82 7.430 -1.840 15.149 1.00 25.00 H new ATOM 0 HA TYR A 82 4.651 -1.435 15.321 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.831 -1.176 13.300 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.206 -1.303 12.656 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.525 0.423 13.097 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.509 0.808 14.677 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.126 2.848 13.528 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.095 3.237 15.112 1.00 25.00 H new ATOM 0 HH TYR A 82 5.227 5.039 13.787 1.00 25.00 H new ATOM 1390 N TRP A 83 5.665 -4.105 13.662 1.00 25.00 N ATOM 1391 CA TRP A 83 5.232 -5.383 13.111 1.00 25.00 C ATOM 1392 C TRP A 83 4.449 -6.195 14.144 1.00 25.00 C ATOM 1393 O TRP A 83 3.433 -6.819 13.821 1.00 25.00 O ATOM 1394 CB TRP A 83 6.463 -6.180 12.656 1.00 25.00 C ATOM 1395 CG TRP A 83 6.138 -7.541 12.133 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.811 -7.885 10.863 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.105 -8.772 12.882 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.558 -9.221 10.755 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.723 -9.804 11.978 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.360 -9.108 14.228 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.578 -11.144 12.381 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.228 -10.458 14.637 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.831 -11.462 13.703 1.00 25.00 C ATOM 0 H TRP A 83 6.674 -3.960 13.638 1.00 25.00 H new ATOM 0 HA TRP A 83 4.575 -5.189 12.263 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.983 -5.617 11.881 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.152 -6.278 13.495 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.758 -7.188 10.040 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.289 -9.706 9.899 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.652 -8.347 14.937 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.277 -11.905 11.676 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.429 -10.730 15.663 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.727 -12.485 14.034 1.00 25.00 H new ATOM 1414 N ASN A 84 4.901 -6.157 15.392 1.00 25.00 N ATOM 1415 CA ASN A 84 4.245 -6.883 16.478 1.00 25.00 C ATOM 1416 C ASN A 84 2.833 -6.354 16.738 1.00 25.00 C ATOM 1417 O ASN A 84 1.955 -7.118 17.130 1.00 25.00 O ATOM 1418 CB ASN A 84 5.068 -6.788 17.770 1.00 25.00 C ATOM 1419 CG ASN A 84 6.015 -7.953 17.944 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.611 -9.043 18.323 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.266 -7.738 17.671 1.00 25.00 N ATOM 0 H ASN A 84 5.724 -5.628 15.680 1.00 25.00 H new ATOM 0 HA ASN A 84 4.173 -7.926 16.168 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.638 -5.859 17.766 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.392 -6.743 18.624 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.946 -8.491 17.770 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.568 -6.816 17.357 1.00 25.00 H new ATOM 1428 N LEU A 85 2.610 -5.067 16.493 1.00 25.00 N ATOM 1429 CA LEU A 85 1.302 -4.456 16.729 1.00 25.00 C ATOM 1430 C LEU A 85 0.276 -5.011 15.750 1.00 25.00 C ATOM 1431 O LEU A 85 -0.852 -5.308 16.110 1.00 25.00 O ATOM 1432 CB LEU A 85 1.393 -2.934 16.564 1.00 25.00 C ATOM 1433 CG LEU A 85 0.121 -2.159 16.943 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.295 -1.486 18.299 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.191 -1.115 15.867 1.00 25.00 C ATOM 0 H LEU A 85 3.316 -4.425 16.131 1.00 25.00 H new ATOM 0 HA LEU A 85 0.990 -4.691 17.747 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.218 -2.567 17.174 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.640 -2.711 15.526 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.712 -2.858 17.010 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.614 -0.941 18.554 1.00 25.00 H new ATOM 0 HD12 LEU A 85 0.489 -2.243 19.059 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.134 -0.792 18.256 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.094 -0.569 16.141 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.643 -0.419 15.783 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.345 -1.614 14.910 1.00 25.00 H new ATOM 1447 N ILE A 86 0.667 -5.178 14.498 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.261 -5.736 13.523 1.00 25.00 C ATOM 1449 C ILE A 86 -0.361 -7.241 13.756 1.00 25.00 C ATOM 1450 O ILE A 86 -1.409 -7.843 13.543 1.00 25.00 O ATOM 1451 CB ILE A 86 0.156 -5.435 12.071 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.262 -3.916 11.860 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.877 -6.003 11.092 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.666 -3.459 11.569 1.00 25.00 C ATOM 0 H ILE A 86 1.592 -4.944 14.137 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.234 -5.265 13.663 1.00 25.00 H new ATOM 0 HB ILE A 86 1.124 -5.901 11.887 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.388 -3.623 11.035 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.103 -3.405 12.751 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.569 -5.783 10.070 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.949 -7.083 11.225 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.849 -5.548 11.284 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.675 -2.378 11.430 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.315 -3.723 12.404 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.026 -3.945 10.662 1.00 25.00 H new ATOM 1466 N LYS A 87 0.710 -7.849 14.249 1.00 25.00 N ATOM 1467 CA LYS A 87 0.688 -9.282 14.533 1.00 25.00 C ATOM 1468 C LYS A 87 -0.407 -9.598 15.541 1.00 25.00 C ATOM 1469 O LYS A 87 -1.181 -10.505 15.311 1.00 25.00 O ATOM 1470 CB LYS A 87 2.070 -9.775 15.012 1.00 25.00 C ATOM 1471 CG LYS A 87 2.057 -10.671 16.262 1.00 25.00 C ATOM 1472 CD LYS A 87 3.446 -11.047 16.693 1.00 25.00 C ATOM 1473 CE LYS A 87 3.414 -11.639 18.100 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.796 -11.764 18.670 1.00 25.00 N ATOM 0 H LYS A 87 1.593 -7.383 14.459 1.00 25.00 H new ATOM 0 HA LYS A 87 0.462 -9.819 13.612 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.543 -10.324 14.198 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.696 -8.906 15.216 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.552 -10.152 17.076 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.483 -11.575 16.056 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.869 -11.770 15.995 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.092 -10.169 16.674 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.806 -11.008 18.749 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.939 -12.620 18.074 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.736 -12.073 19.661 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.336 -12.464 18.122 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.276 -10.842 18.623 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.511 -8.847 16.628 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.532 -9.149 17.631 1.00 25.00 C ATOM 1490 C GLU A 88 -2.921 -8.809 17.093 1.00 25.00 C ATOM 1491 O GLU A 88 -3.899 -9.473 17.429 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.245 -8.423 18.956 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.205 -6.911 18.851 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.796 -6.239 20.145 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.188 -6.719 21.231 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.146 -5.169 20.074 1.00 25.00 O ATOM 0 H GLU A 88 0.081 -8.043 16.839 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.503 -10.218 17.840 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -2.008 -8.704 19.682 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.289 -8.772 19.347 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.508 -6.625 18.063 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.188 -6.547 18.554 1.00 25.00 H new ATOM 1503 N LEU A 89 -3.002 -7.828 16.204 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.278 -7.470 15.594 1.00 25.00 C ATOM 1505 C LEU A 89 -4.814 -8.590 14.707 1.00 25.00 C ATOM 1506 O LEU A 89 -6.004 -8.872 14.733 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.159 -6.168 14.796 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.122 -4.883 15.645 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.834 -3.679 14.745 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.440 -4.662 16.411 1.00 25.00 C ATOM 0 H LEU A 89 -2.208 -7.270 15.891 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.990 -7.317 16.405 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.253 -6.212 14.192 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.000 -6.105 14.106 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.327 -4.993 16.383 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.808 -2.772 15.348 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.871 -3.815 14.253 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.617 -3.592 13.992 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.371 -3.745 16.997 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.263 -4.578 15.702 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.619 -5.506 17.077 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.951 -9.245 13.943 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.404 -10.357 13.101 1.00 25.00 C ATOM 1524 C ILE A 90 -4.587 -11.616 13.955 1.00 25.00 C ATOM 1525 O ILE A 90 -5.566 -12.342 13.807 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.404 -10.711 11.953 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.078 -9.486 11.076 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -4.024 -11.809 11.055 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.810 -9.682 10.192 1.00 25.00 C ATOM 0 H ILE A 90 -2.954 -9.037 13.884 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.342 -10.029 12.652 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.480 -11.059 12.415 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.931 -9.271 10.433 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.935 -8.616 11.717 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.329 -12.058 10.253 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.223 -12.699 11.653 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.957 -11.444 10.626 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.637 -8.783 9.600 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.946 -9.868 10.831 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.958 -10.532 9.526 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.636 -11.877 14.842 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.644 -13.097 15.660 1.00 25.00 C ATOM 1543 C ASP A 91 -4.887 -13.172 16.538 1.00 25.00 C ATOM 1544 O ASP A 91 -5.408 -14.250 16.805 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.393 -13.138 16.540 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.212 -14.467 17.234 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.693 -15.409 16.595 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.528 -14.556 18.441 1.00 25.00 O ATOM 0 H ASP A 91 -2.843 -11.261 15.019 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.652 -13.953 14.985 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.516 -12.930 15.927 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.454 -12.347 17.288 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.387 -12.017 16.957 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.604 -11.953 17.763 1.00 25.00 C ATOM 1555 C LYS A 92 -7.710 -11.203 17.031 1.00 25.00 C ATOM 1556 O LYS A 92 -8.553 -10.558 17.656 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.297 -11.315 19.126 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.307 -12.121 20.005 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.989 -13.239 20.837 1.00 25.00 C ATOM 1560 CE LYS A 92 -6.188 -14.569 20.082 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.918 -15.273 19.712 1.00 25.00 N ATOM 0 H LYS A 92 -4.969 -11.109 16.753 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.964 -12.968 17.933 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.889 -10.318 18.962 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.231 -11.191 19.674 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.546 -12.568 19.365 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.794 -11.437 20.681 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.390 -13.428 21.728 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.961 -12.880 21.177 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -6.791 -15.235 20.699 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.758 -14.374 19.173 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -5.143 -16.146 19.194 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -4.340 -14.653 19.110 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.388 -15.509 20.575 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.750 -11.334 15.707 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.825 -10.715 14.909 1.00 25.00 C ATOM 1577 C LYS A 93 -10.168 -11.347 15.269 1.00 25.00 C ATOM 1578 O LYS A 93 -11.216 -10.742 15.108 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.557 -10.845 13.400 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.663 -12.263 12.833 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.117 -12.298 11.409 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.193 -13.692 10.793 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.616 -14.089 10.508 1.00 25.00 N ATOM 0 H LYS A 93 -7.063 -11.855 15.162 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.852 -9.651 15.146 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.261 -10.206 12.867 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.558 -10.463 13.192 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.106 -12.957 13.462 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.703 -12.590 12.841 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.679 -11.599 10.790 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.081 -11.960 11.411 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.615 -13.715 9.869 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.740 -14.416 11.470 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.656 -14.617 9.613 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.970 -14.689 11.280 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.206 -13.236 10.433 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.102 -12.558 15.799 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.276 -13.323 16.222 1.00 25.00 C ATOM 1599 C GLU A 94 -12.094 -12.633 17.317 1.00 25.00 C ATOM 1600 O GLU A 94 -13.314 -12.716 17.324 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.815 -14.697 16.733 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.522 -14.643 17.567 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.188 -15.968 18.223 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.156 -16.996 17.522 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.892 -15.960 19.436 1.00 25.00 O ATOM 0 H GLU A 94 -9.221 -13.049 15.952 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.927 -13.414 15.352 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.609 -15.136 17.337 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.660 -15.359 15.881 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.694 -14.342 16.925 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.624 -13.878 18.336 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.422 -11.943 18.230 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.098 -11.271 19.346 1.00 25.00 C ATOM 1614 C VAL A 95 -12.076 -9.766 19.122 1.00 25.00 C ATOM 1615 O VAL A 95 -12.494 -8.983 19.967 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.443 -11.636 20.713 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.607 -13.139 20.995 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.949 -11.270 20.734 1.00 25.00 C ATOM 0 H VAL A 95 -10.408 -11.831 18.224 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.132 -11.614 19.382 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.949 -11.060 21.488 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.146 -13.382 21.952 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.667 -13.389 21.029 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.124 -13.712 20.204 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.522 -11.537 21.701 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.430 -11.815 19.945 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.835 -10.198 20.571 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.613 -9.370 17.948 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.583 -7.966 17.555 1.00 25.00 C ATOM 1630 C ASN A 96 -12.317 -7.805 16.229 1.00 25.00 C ATOM 1631 O ASN A 96 -11.690 -7.625 15.183 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.140 -7.476 17.417 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.526 -7.128 18.733 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.791 -6.066 19.276 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.690 -7.987 19.243 1.00 25.00 N ATOM 0 H ASN A 96 -11.248 -10.008 17.241 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.074 -7.369 18.323 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.542 -8.249 16.934 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.117 -6.602 16.767 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.228 -7.784 20.129 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.498 -8.862 18.756 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.663 -7.802 16.253 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.358 -7.633 14.971 1.00 25.00 C ATOM 1644 C PRO A 97 -14.126 -6.255 14.352 1.00 25.00 C ATOM 1645 O PRO A 97 -14.306 -6.061 13.153 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.827 -7.845 15.346 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.906 -7.431 16.772 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.621 -7.941 17.368 1.00 25.00 C ATOM 0 HA PRO A 97 -14.001 -8.325 14.209 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.488 -7.245 14.720 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.124 -8.886 15.217 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.990 -6.349 16.870 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.775 -7.864 17.266 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.318 -7.356 18.236 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.711 -8.976 17.697 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.659 -5.318 15.168 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.348 -3.976 14.709 1.00 25.00 C ATOM 1658 C GLN A 98 -12.201 -4.041 13.712 1.00 25.00 C ATOM 1659 O GLN A 98 -12.254 -3.411 12.670 1.00 25.00 O ATOM 1660 CB GLN A 98 -13.004 -3.062 15.907 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.908 -3.590 16.869 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.907 -2.869 18.204 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.266 -1.708 18.293 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -11.490 -3.550 19.241 1.00 25.00 N ATOM 0 H GLN A 98 -13.487 -5.469 16.162 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.218 -3.547 14.212 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.685 -2.094 15.521 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.914 -2.892 16.482 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.060 -4.656 17.036 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -10.931 -3.477 16.398 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -11.197 -4.521 19.129 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -11.458 -3.110 20.161 1.00 25.00 H new ATOM 1673 N VAL A 99 -11.170 -4.815 14.021 1.00 25.00 N ATOM 1674 CA VAL A 99 -10.039 -4.936 13.117 1.00 25.00 C ATOM 1675 C VAL A 99 -10.281 -5.995 12.042 1.00 25.00 C ATOM 1676 O VAL A 99 -9.708 -5.927 10.967 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.702 -5.165 13.875 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.489 -6.638 14.227 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.540 -4.638 13.041 1.00 25.00 C ATOM 0 H VAL A 99 -11.094 -5.361 14.879 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.943 -3.980 12.603 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.750 -4.616 14.815 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.543 -6.753 14.756 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.304 -6.982 14.864 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.468 -7.231 13.313 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.605 -4.801 13.576 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.508 -5.165 12.087 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.675 -3.571 12.862 1.00 25.00 H new ATOM 1689 N MET A 100 -11.138 -6.968 12.324 1.00 25.00 N ATOM 1690 CA MET A 100 -11.430 -8.036 11.363 1.00 25.00 C ATOM 1691 C MET A 100 -11.961 -7.450 10.055 1.00 25.00 C ATOM 1692 O MET A 100 -11.612 -7.909 8.975 1.00 25.00 O ATOM 1693 CB MET A 100 -12.440 -9.022 11.965 1.00 25.00 C ATOM 1694 CG MET A 100 -12.930 -10.110 11.010 1.00 25.00 C ATOM 1695 SD MET A 100 -11.600 -11.056 10.234 1.00 25.00 S ATOM 1696 CE MET A 100 -12.171 -11.021 8.488 1.00 25.00 C ATOM 0 H MET A 100 -11.644 -7.044 13.206 1.00 25.00 H new ATOM 0 HA MET A 100 -10.507 -8.573 11.143 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.985 -9.500 12.833 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.302 -8.461 12.325 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.578 -10.795 11.557 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.537 -9.649 10.231 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.312 -11.109 7.823 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.854 -11.852 8.312 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.686 -10.081 8.293 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.744 -6.387 10.133 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.233 -5.757 8.915 1.00 25.00 C ATOM 1708 C ALA A 101 -12.070 -5.211 8.064 1.00 25.00 C ATOM 1709 O ALA A 101 -12.120 -5.256 6.841 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.212 -4.633 9.266 1.00 25.00 C ATOM 0 H ALA A 101 -13.049 -5.950 11.002 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.752 -6.511 8.324 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.574 -4.166 8.350 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -15.055 -5.045 9.821 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.705 -3.887 9.878 1.00 25.00 H new ATOM 1716 N ALA A 102 -11.018 -4.721 8.712 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.857 -4.205 7.997 1.00 25.00 C ATOM 1718 C ALA A 102 -9.055 -5.346 7.392 1.00 25.00 C ATOM 1719 O ALA A 102 -8.465 -5.175 6.349 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.970 -3.392 8.923 1.00 25.00 C ATOM 0 H ALA A 102 -10.946 -4.671 9.728 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.216 -3.557 7.197 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.110 -3.017 8.367 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.537 -2.552 9.325 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.625 -4.022 9.743 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.039 -6.504 8.036 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.326 -7.673 7.504 1.00 25.00 C ATOM 1728 C VAL A 103 -8.904 -7.986 6.130 1.00 25.00 C ATOM 1729 O VAL A 103 -8.168 -8.055 5.154 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.490 -8.913 8.456 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.893 -10.181 7.855 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.836 -8.628 9.817 1.00 25.00 C ATOM 0 H VAL A 103 -9.509 -6.667 8.927 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.261 -7.455 7.432 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.559 -9.079 8.588 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.030 -11.011 8.548 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.393 -10.408 6.914 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.829 -10.031 7.673 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.957 -9.495 10.467 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.774 -8.426 9.675 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.313 -7.761 10.275 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.224 -8.101 6.049 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.885 -8.425 4.784 1.00 25.00 C ATOM 1744 C ALA A 104 -10.706 -7.306 3.752 1.00 25.00 C ATOM 1745 O ALA A 104 -10.484 -7.557 2.573 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.375 -8.687 5.034 1.00 25.00 C ATOM 0 H ALA A 104 -10.858 -7.976 6.838 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.421 -9.323 4.377 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.865 -8.928 4.091 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.487 -9.523 5.725 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.834 -7.797 5.464 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.796 -6.063 4.201 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.616 -4.930 3.300 1.00 25.00 C ATOM 1754 C GLN A 105 -9.197 -4.903 2.740 1.00 25.00 C ATOM 1755 O GLN A 105 -9.004 -4.643 1.562 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.908 -3.617 4.029 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.396 -3.349 4.210 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.667 -2.153 5.097 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.912 -1.195 5.121 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.752 -2.201 5.825 1.00 25.00 N ATOM 0 H GLN A 105 -10.990 -5.813 5.171 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.317 -5.043 2.473 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.428 -3.638 5.007 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.462 -2.793 3.472 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.853 -3.184 3.234 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.871 -4.231 4.640 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.361 -3.018 5.780 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.990 -1.421 6.438 1.00 25.00 H new ATOM 1769 N THR A 106 -8.209 -5.182 3.579 1.00 25.00 N ATOM 1770 CA THR A 106 -6.813 -5.155 3.148 1.00 25.00 C ATOM 1771 C THR A 106 -6.608 -6.194 2.060 1.00 25.00 C ATOM 1772 O THR A 106 -5.959 -5.913 1.066 1.00 25.00 O ATOM 1773 CB THR A 106 -5.823 -5.455 4.310 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.101 -4.609 5.423 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.391 -5.189 3.904 1.00 25.00 C ATOM 0 H THR A 106 -8.345 -5.429 4.559 1.00 25.00 H new ATOM 0 HA THR A 106 -6.606 -4.149 2.783 1.00 25.00 H new ATOM 0 HB THR A 106 -5.949 -6.507 4.566 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.867 -4.964 5.921 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.729 -5.410 4.741 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.129 -5.823 3.057 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.282 -4.142 3.621 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.185 -7.377 2.233 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.037 -8.450 1.248 1.00 25.00 C ATOM 1785 C GLU A 107 -7.448 -8.018 -0.151 1.00 25.00 C ATOM 1786 O GLU A 107 -6.691 -8.197 -1.096 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.845 -9.690 1.664 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.244 -10.367 2.865 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.968 -11.613 3.322 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -9.145 -11.537 3.732 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.286 -12.663 3.400 1.00 25.00 O ATOM 0 H GLU A 107 -7.758 -7.620 3.041 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.976 -8.699 1.220 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.871 -9.398 1.886 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.887 -10.393 0.832 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.210 -10.628 2.638 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.219 -9.656 3.690 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.623 -7.430 -0.300 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.080 -7.052 -1.637 1.00 25.00 C ATOM 1800 C GLU A 108 -8.413 -5.785 -2.169 1.00 25.00 C ATOM 1801 O GLU A 108 -8.176 -5.660 -3.370 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.602 -6.924 -1.676 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.316 -8.235 -1.323 1.00 25.00 C ATOM 1804 CD GLU A 108 -10.747 -9.440 -2.083 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -10.538 -9.350 -3.316 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -10.427 -10.456 -1.432 1.00 25.00 O ATOM 0 H GLU A 108 -9.265 -7.207 0.460 1.00 25.00 H new ATOM 0 HA GLU A 108 -8.775 -7.859 -2.303 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.915 -6.146 -0.980 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -10.910 -6.604 -2.671 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.231 -8.413 -0.251 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.378 -8.138 -1.547 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.047 -4.869 -1.286 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.326 -3.665 -1.709 1.00 25.00 C ATOM 1815 C ILE A 109 -5.955 -4.074 -2.253 1.00 25.00 C ATOM 1816 O ILE A 109 -5.498 -3.551 -3.264 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.180 -2.654 -0.533 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.554 -2.033 -0.211 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.161 -1.540 -0.877 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.624 -1.367 1.168 1.00 25.00 C ATOM 0 H ILE A 109 -8.231 -4.928 -0.284 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.893 -3.164 -2.493 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.809 -3.191 0.340 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.796 -1.293 -0.974 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.316 -2.810 -0.268 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.080 -0.849 -0.038 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.187 -1.987 -1.075 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.498 -0.999 -1.761 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.621 -0.953 1.322 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.415 -2.107 1.940 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.886 -0.566 1.223 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.327 -5.059 -1.627 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.018 -5.542 -2.072 1.00 25.00 C ATOM 1834 C LEU A 110 -4.019 -6.108 -3.487 1.00 25.00 C ATOM 1835 O LEU A 110 -2.985 -6.106 -4.141 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.513 -6.619 -1.111 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.419 -6.175 -0.128 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.754 -4.873 0.614 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.166 -7.299 0.877 1.00 25.00 C ATOM 0 H LEU A 110 -5.699 -5.542 -0.809 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.360 -4.673 -2.076 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.360 -6.994 -0.537 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.131 -7.454 -1.698 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.524 -5.969 -0.714 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.938 -4.620 1.291 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.890 -4.068 -0.108 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.672 -5.006 1.186 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.390 -6.992 1.579 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.085 -7.513 1.423 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.842 -8.195 0.347 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.170 -6.556 -3.972 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.269 -7.097 -5.334 1.00 25.00 C ATOM 1853 C LYS A 111 -5.143 -5.969 -6.355 1.00 25.00 C ATOM 1854 O LYS A 111 -4.623 -6.158 -7.446 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.623 -7.794 -5.549 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.063 -8.737 -4.428 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.242 -10.019 -4.321 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.638 -10.800 -3.057 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.119 -11.076 -2.985 1.00 25.00 N ATOM 0 H LYS A 111 -6.047 -6.558 -3.451 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.463 -7.819 -5.465 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.389 -7.029 -5.679 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -6.577 -8.360 -6.479 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.006 -8.204 -3.479 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.109 -9.002 -4.583 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -6.403 -10.637 -5.204 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.180 -9.777 -4.290 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.095 -11.745 -3.033 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.334 -10.235 -2.176 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.533 -10.544 -2.193 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.571 -10.781 -3.874 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.276 -12.094 -2.838 1.00 25.00 H new