USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 98 GLN : amide:sc=-0.00993 K(o=-0.0099,f=-0.62) USER MOD Set 2.1: A 42 CYS SG : rot -27:sc= -0.804 USER MOD Set 2.2: A 62 CYS SG : rot 137:sc= 0.215 USER MOD Set 3.1: A 14 GLN : amide:sc= 0.318 K(o=0.51,f=-0.2) USER MOD Set 3.2: A 17 GLN : amide:sc= 0.188 X(o=0.51,f=0.16) USER MOD Single : A 3 GLN : amide:sc= 0.0931 X(o=0.093,f=0) USER MOD Single : A 6 SER OG : rot 71:sc= 0.342 USER MOD Single : A 7 GLN : amide:sc= 0.595 K(o=0.6,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.3!) USER MOD Single : A 11 TYR OH : rot 120:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0.853 (180deg=0.676) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0682) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0.8 (180deg=0.798) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= 0.499 (180deg=-0.265) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 1.03 (180deg=0.763) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.17) USER MOD Single : A 41 THR OG1 : rot 85:sc= 0.885 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 50 THR OG1 : rot 69:sc= 0.417 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.955 USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.24) USER MOD Single : A 78 THR OG1 : rot -99:sc= 0.0223 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 121:sc= 1.26 USER MOD Single : A 84 ASN : amide:sc= 0.509 K(o=0.51,f=-0.45) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= -0.0158 (180deg=-0.162) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 1.91 (180deg=1.87) USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= 0.522 (180deg=0.0848) USER MOD Single : A 96 ASN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.355 K(o=-0.36,f=-3.1) USER MOD Single : A 106 THR OG1 : rot 77:sc= 0.73 USER MOD Single : A 111 LYS NZ :NH3+ -141:sc= 1.09 (180deg=0.236) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.032 1.261 2.147 1.00 25.00 N ATOM 44 CA GLY A 2 0.482 2.094 3.212 1.00 25.00 C ATOM 45 C GLY A 2 -0.014 3.441 2.726 1.00 25.00 C ATOM 46 O GLY A 2 -1.021 3.959 3.212 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.341 1.563 3.690 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.246 2.249 3.973 1.00 25.00 H new ATOM 50 N GLN A 3 0.668 4.002 1.744 1.00 25.00 N ATOM 51 CA GLN A 3 0.256 5.277 1.163 1.00 25.00 C ATOM 52 C GLN A 3 -1.095 5.155 0.436 1.00 25.00 C ATOM 53 O GLN A 3 -1.939 6.037 0.549 1.00 25.00 O ATOM 54 CB GLN A 3 1.360 5.804 0.232 1.00 25.00 C ATOM 55 CG GLN A 3 1.793 4.839 -0.879 1.00 25.00 C ATOM 56 CD GLN A 3 3.163 5.176 -1.417 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.395 6.257 -1.931 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.084 4.260 -1.277 1.00 25.00 N ATOM 0 H GLN A 3 1.509 3.600 1.329 1.00 25.00 H new ATOM 0 HA GLN A 3 0.111 5.998 1.968 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.014 6.730 -0.227 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.233 6.054 0.835 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.795 3.819 -0.493 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.066 4.871 -1.691 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.853 3.367 -0.842 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.034 4.438 -1.603 1.00 25.00 H new ATOM 67 N GLU A 4 -1.327 4.040 -0.243 1.00 25.00 N ATOM 68 CA GLU A 4 -2.606 3.802 -0.913 1.00 25.00 C ATOM 69 C GLU A 4 -3.658 3.445 0.129 1.00 25.00 C ATOM 70 O GLU A 4 -4.805 3.852 0.032 1.00 25.00 O ATOM 71 CB GLU A 4 -2.456 2.675 -1.946 1.00 25.00 C ATOM 72 CG GLU A 4 -3.747 1.911 -2.291 1.00 25.00 C ATOM 73 CD GLU A 4 -4.852 2.795 -2.886 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.576 3.932 -3.321 1.00 25.00 O ATOM 75 OE2 GLU A 4 -6.018 2.338 -2.896 1.00 25.00 O ATOM 0 H GLU A 4 -0.650 3.285 -0.347 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.921 4.704 -1.439 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.051 3.100 -2.864 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.721 1.961 -1.574 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.510 1.117 -2.999 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.126 1.431 -1.389 1.00 25.00 H new ATOM 82 N LEU A 5 -3.261 2.723 1.162 1.00 25.00 N ATOM 83 CA LEU A 5 -4.194 2.373 2.226 1.00 25.00 C ATOM 84 C LEU A 5 -4.722 3.639 2.907 1.00 25.00 C ATOM 85 O LEU A 5 -5.913 3.740 3.164 1.00 25.00 O ATOM 86 CB LEU A 5 -3.537 1.428 3.232 1.00 25.00 C ATOM 87 CG LEU A 5 -3.248 0.004 2.711 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.495 -0.792 3.769 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.525 -0.745 2.330 1.00 25.00 C ATOM 0 H LEU A 5 -2.313 2.370 1.289 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.043 1.848 1.789 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.599 1.873 3.564 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.181 1.352 4.108 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.641 0.107 1.812 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.294 -1.796 3.395 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.552 -0.294 3.996 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.099 -0.856 4.674 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.269 -1.741 1.970 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.171 -0.830 3.204 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.047 -0.198 1.545 1.00 25.00 H new ATOM 101 N SER A 6 -3.863 4.633 3.109 1.00 25.00 N ATOM 102 CA SER A 6 -4.297 5.953 3.589 1.00 25.00 C ATOM 103 C SER A 6 -5.254 6.669 2.627 1.00 25.00 C ATOM 104 O SER A 6 -6.109 7.432 3.055 1.00 25.00 O ATOM 105 CB SER A 6 -3.087 6.870 3.791 1.00 25.00 C ATOM 106 OG SER A 6 -2.116 6.282 4.635 1.00 25.00 O ATOM 0 H SER A 6 -2.859 4.555 2.949 1.00 25.00 H new ATOM 0 HA SER A 6 -4.823 5.762 4.525 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.638 7.097 2.824 1.00 25.00 H new ATOM 0 HB3 SER A 6 -3.416 7.816 4.220 1.00 25.00 H new ATOM 0 HG SER A 6 -1.683 5.538 4.167 1.00 25.00 H new ATOM 112 N GLN A 7 -5.090 6.447 1.332 1.00 25.00 N ATOM 113 CA GLN A 7 -5.943 7.078 0.321 1.00 25.00 C ATOM 114 C GLN A 7 -7.308 6.379 0.267 1.00 25.00 C ATOM 115 O GLN A 7 -8.326 6.971 -0.106 1.00 25.00 O ATOM 116 CB GLN A 7 -5.245 6.992 -1.047 1.00 25.00 C ATOM 117 CG GLN A 7 -5.935 7.773 -2.159 1.00 25.00 C ATOM 118 CD GLN A 7 -5.081 7.889 -3.409 1.00 25.00 C ATOM 119 OE1 GLN A 7 -4.850 8.982 -3.901 1.00 25.00 O ATOM 120 NE2 GLN A 7 -4.607 6.782 -3.918 1.00 25.00 N ATOM 0 H GLN A 7 -4.372 5.832 0.949 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.105 8.124 0.582 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.224 7.358 -0.943 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.180 5.945 -1.342 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.876 7.284 -2.411 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -6.181 8.772 -1.798 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.821 5.886 -3.479 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -4.023 6.814 -4.754 1.00 25.00 H new ATOM 129 N HIS A 8 -7.328 5.110 0.643 1.00 25.00 N ATOM 130 CA HIS A 8 -8.543 4.299 0.582 1.00 25.00 C ATOM 131 C HIS A 8 -9.411 4.548 1.819 1.00 25.00 C ATOM 132 O HIS A 8 -9.411 3.760 2.756 1.00 25.00 O ATOM 133 CB HIS A 8 -8.161 2.816 0.444 1.00 25.00 C ATOM 134 CG HIS A 8 -8.957 2.083 -0.589 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.513 1.888 -1.898 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.168 1.465 -0.542 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.427 1.197 -2.564 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.429 0.931 -1.769 1.00 25.00 N ATOM 0 H HIS A 8 -6.511 4.612 0.997 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.132 4.583 -0.290 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.103 2.745 0.193 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.293 2.325 1.408 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -7.629 2.223 -2.280 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.814 1.407 0.322 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -9.355 0.901 -3.600 1.00 25.00 H new ATOM 146 N GLU A 9 -10.157 5.644 1.821 1.00 25.00 N ATOM 147 CA GLU A 9 -10.954 6.042 2.994 1.00 25.00 C ATOM 148 C GLU A 9 -11.870 4.950 3.556 1.00 25.00 C ATOM 149 O GLU A 9 -12.047 4.871 4.752 1.00 25.00 O ATOM 150 CB GLU A 9 -11.783 7.291 2.690 1.00 25.00 C ATOM 151 CG GLU A 9 -11.416 8.503 3.564 1.00 25.00 C ATOM 152 CD GLU A 9 -11.684 8.288 5.063 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.820 7.935 5.438 1.00 25.00 O ATOM 154 OE2 GLU A 9 -10.763 8.529 5.880 1.00 25.00 O ATOM 0 H GLU A 9 -10.233 6.280 1.027 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.215 6.247 3.769 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.652 7.557 1.641 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.839 7.059 2.830 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.361 8.736 3.422 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.982 9.370 3.223 1.00 25.00 H new ATOM 161 N ARG A 10 -12.391 4.059 2.719 1.00 25.00 N ATOM 162 CA ARG A 10 -13.225 2.951 3.228 1.00 25.00 C ATOM 163 C ARG A 10 -12.459 2.005 4.153 1.00 25.00 C ATOM 164 O ARG A 10 -13.036 1.392 5.032 1.00 25.00 O ATOM 165 CB ARG A 10 -13.813 2.125 2.086 1.00 25.00 C ATOM 166 CG ARG A 10 -14.968 2.806 1.357 1.00 25.00 C ATOM 167 CD ARG A 10 -15.756 1.784 0.537 1.00 25.00 C ATOM 168 NE ARG A 10 -16.478 0.845 1.419 1.00 25.00 N ATOM 169 CZ ARG A 10 -16.792 -0.412 1.119 1.00 25.00 C ATOM 170 NH1 ARG A 10 -16.493 -0.960 -0.034 1.00 25.00 N ATOM 171 NH2 ARG A 10 -17.416 -1.135 2.006 1.00 25.00 N ATOM 0 H ARG A 10 -12.261 4.071 1.707 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.021 3.430 3.798 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.024 1.904 1.368 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.160 1.171 2.483 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.627 3.290 2.078 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.583 3.588 0.703 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -16.465 2.300 -0.110 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.077 1.231 -0.112 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.760 1.190 2.337 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -16.000 -0.418 -0.744 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -16.753 -1.928 -0.221 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -17.656 -0.735 2.913 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -17.665 -2.101 1.793 1.00 25.00 H new ATOM 185 N TYR A 11 -11.158 1.886 3.951 1.00 25.00 N ATOM 186 CA TYR A 11 -10.325 1.052 4.812 1.00 25.00 C ATOM 187 C TYR A 11 -9.861 1.883 5.994 1.00 25.00 C ATOM 188 O TYR A 11 -9.817 1.408 7.128 1.00 25.00 O ATOM 189 CB TYR A 11 -9.129 0.532 4.033 1.00 25.00 C ATOM 190 CG TYR A 11 -8.026 0.005 4.909 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.174 -1.205 5.612 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.821 0.716 5.047 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.130 -1.697 6.427 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.778 0.218 5.860 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.946 -0.983 6.542 1.00 25.00 C ATOM 196 OH TYR A 11 -4.931 -1.453 7.331 1.00 25.00 O ATOM 0 H TYR A 11 -10.652 2.355 3.199 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.900 0.197 5.168 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.459 -0.261 3.362 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.735 1.334 3.409 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.095 -1.763 5.528 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.691 1.653 4.526 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.254 -2.628 6.960 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.853 0.768 5.952 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.131 -1.597 6.784 1.00 25.00 H new ATOM 206 N VAL A 12 -9.581 3.152 5.736 1.00 25.00 N ATOM 207 CA VAL A 12 -9.222 4.094 6.794 1.00 25.00 C ATOM 208 C VAL A 12 -10.374 4.159 7.800 1.00 25.00 C ATOM 209 O VAL A 12 -10.141 4.280 8.984 1.00 25.00 O ATOM 210 CB VAL A 12 -8.910 5.503 6.208 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.595 6.512 7.300 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.723 5.425 5.261 1.00 25.00 C ATOM 0 H VAL A 12 -9.595 3.557 4.800 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.317 3.751 7.296 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.801 5.833 5.674 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.383 7.482 6.849 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.450 6.602 7.970 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.725 6.177 7.865 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.514 6.416 4.857 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.849 5.062 5.802 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.954 4.742 4.444 1.00 25.00 H new ATOM 222 N GLU A 13 -11.603 3.997 7.336 1.00 25.00 N ATOM 223 CA GLU A 13 -12.788 3.960 8.199 1.00 25.00 C ATOM 224 C GLU A 13 -12.626 2.956 9.346 1.00 25.00 C ATOM 225 O GLU A 13 -12.815 3.301 10.519 1.00 25.00 O ATOM 226 CB GLU A 13 -14.004 3.603 7.340 1.00 25.00 C ATOM 227 CG GLU A 13 -15.344 3.806 8.010 1.00 25.00 C ATOM 228 CD GLU A 13 -16.507 3.560 7.043 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.292 2.943 5.968 1.00 25.00 O ATOM 230 OE2 GLU A 13 -17.629 4.010 7.350 1.00 25.00 O ATOM 0 H GLU A 13 -11.815 3.886 6.344 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.924 4.941 8.655 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.975 4.203 6.430 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -13.921 2.559 7.037 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -15.430 3.131 8.862 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.405 4.822 8.401 1.00 25.00 H new ATOM 237 N GLN A 14 -12.208 1.741 9.022 1.00 25.00 N ATOM 238 CA GLN A 14 -11.967 0.719 10.039 1.00 25.00 C ATOM 239 C GLN A 14 -10.626 0.930 10.729 1.00 25.00 C ATOM 240 O GLN A 14 -10.493 0.701 11.926 1.00 25.00 O ATOM 241 CB GLN A 14 -11.995 -0.675 9.412 1.00 25.00 C ATOM 242 CG GLN A 14 -13.372 -1.086 8.894 1.00 25.00 C ATOM 243 CD GLN A 14 -14.433 -1.048 9.975 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.416 -0.340 9.865 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.227 -1.789 11.031 1.00 25.00 N ATOM 0 H GLN A 14 -12.028 1.436 8.066 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.760 0.803 10.782 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.282 -0.708 8.588 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.662 -1.403 10.151 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.663 -0.422 8.080 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.315 -2.093 8.480 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.392 -2.371 11.090 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.902 -1.785 11.796 1.00 25.00 H new ATOM 254 N LEU A 15 -9.626 1.379 9.992 1.00 25.00 N ATOM 255 CA LEU A 15 -8.300 1.580 10.567 1.00 25.00 C ATOM 256 C LEU A 15 -8.279 2.724 11.600 1.00 25.00 C ATOM 257 O LEU A 15 -7.527 2.676 12.569 1.00 25.00 O ATOM 258 CB LEU A 15 -7.281 1.825 9.450 1.00 25.00 C ATOM 259 CG LEU A 15 -5.811 1.767 9.889 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.406 0.385 10.427 1.00 25.00 C ATOM 261 CD2 LEU A 15 -4.910 2.130 8.745 1.00 25.00 C ATOM 0 H LEU A 15 -9.701 1.611 9.002 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.027 0.672 11.105 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.440 1.085 8.665 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.475 2.803 9.010 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.702 2.487 10.700 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.357 0.403 10.722 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -6.022 0.136 11.291 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.552 -0.365 9.650 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -3.871 2.084 9.072 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.064 1.429 7.924 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -5.140 3.140 8.407 1.00 25.00 H new ATOM 273 N LYS A 16 -9.159 3.708 11.444 1.00 25.00 N ATOM 274 CA LYS A 16 -9.307 4.791 12.429 1.00 25.00 C ATOM 275 C LYS A 16 -9.786 4.200 13.742 1.00 25.00 C ATOM 276 O LYS A 16 -9.317 4.586 14.813 1.00 25.00 O ATOM 277 CB LYS A 16 -10.310 5.857 11.937 1.00 25.00 C ATOM 278 CG LYS A 16 -9.703 6.860 10.937 1.00 25.00 C ATOM 279 CD LYS A 16 -10.727 7.874 10.347 1.00 25.00 C ATOM 280 CE LYS A 16 -11.757 7.212 9.414 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.251 8.116 8.300 1.00 25.00 N ATOM 0 H LYS A 16 -9.786 3.784 10.643 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.341 5.277 12.566 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.158 5.357 11.468 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.698 6.403 12.797 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -8.906 7.413 11.434 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.244 6.306 10.118 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -11.251 8.370 11.164 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -10.190 8.646 9.797 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.312 6.320 8.974 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -12.611 6.883 10.007 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.078 7.683 7.843 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -12.518 9.040 8.695 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.495 8.246 7.597 1.00 25.00 H new ATOM 295 N GLN A 17 -10.685 3.232 13.660 1.00 25.00 N ATOM 296 CA GLN A 17 -11.173 2.548 14.852 1.00 25.00 C ATOM 297 C GLN A 17 -10.041 1.703 15.431 1.00 25.00 C ATOM 298 O GLN A 17 -9.813 1.701 16.635 1.00 25.00 O ATOM 299 CB GLN A 17 -12.364 1.640 14.512 1.00 25.00 C ATOM 300 CG GLN A 17 -13.552 2.355 13.880 1.00 25.00 C ATOM 301 CD GLN A 17 -14.531 1.377 13.263 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.887 0.373 13.864 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.942 1.651 12.056 1.00 25.00 N ATOM 0 H GLN A 17 -11.092 2.901 12.785 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.504 3.291 15.577 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.025 0.858 13.832 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.698 1.146 15.424 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.062 2.952 14.636 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.196 3.045 13.115 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.622 2.499 11.588 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.584 1.017 11.580 1.00 25.00 H new ATOM 312 N ALA A 18 -9.319 1.005 14.566 1.00 25.00 N ATOM 313 CA ALA A 18 -8.249 0.113 14.998 1.00 25.00 C ATOM 314 C ALA A 18 -7.079 0.839 15.704 1.00 25.00 C ATOM 315 O ALA A 18 -6.631 0.391 16.758 1.00 25.00 O ATOM 316 CB ALA A 18 -7.737 -0.691 13.806 1.00 25.00 C ATOM 0 H ALA A 18 -9.455 1.039 13.556 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.680 -0.554 15.745 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.938 -1.356 14.132 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.552 -1.281 13.388 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.355 -0.010 13.045 1.00 25.00 H new ATOM 322 N LEU A 19 -6.599 1.958 15.162 1.00 25.00 N ATOM 323 CA LEU A 19 -5.512 2.711 15.821 1.00 25.00 C ATOM 324 C LEU A 19 -6.019 3.170 17.192 1.00 25.00 C ATOM 325 O LEU A 19 -5.303 3.104 18.196 1.00 25.00 O ATOM 326 CB LEU A 19 -5.063 3.952 15.005 1.00 25.00 C ATOM 327 CG LEU A 19 -3.798 3.844 14.110 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.122 3.274 12.749 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.127 5.220 13.896 1.00 25.00 C ATOM 0 H LEU A 19 -6.932 2.363 14.287 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.646 2.054 15.907 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.895 4.245 14.365 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.900 4.768 15.709 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.117 3.178 14.640 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.211 3.215 12.153 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.546 2.277 12.864 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.843 3.919 12.247 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.246 5.101 13.265 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.831 5.897 13.412 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.830 5.634 14.860 1.00 25.00 H new ATOM 341 N LYS A 20 -7.274 3.605 17.236 1.00 25.00 N ATOM 342 CA LYS A 20 -7.881 4.083 18.478 1.00 25.00 C ATOM 343 C LYS A 20 -8.048 2.969 19.513 1.00 25.00 C ATOM 344 O LYS A 20 -7.773 3.182 20.688 1.00 25.00 O ATOM 345 CB LYS A 20 -9.241 4.724 18.170 1.00 25.00 C ATOM 346 CG LYS A 20 -9.918 5.374 19.369 1.00 25.00 C ATOM 347 CD LYS A 20 -11.263 5.972 18.962 1.00 25.00 C ATOM 348 CE LYS A 20 -11.992 6.591 20.157 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.417 5.548 21.159 1.00 25.00 N ATOM 0 H LYS A 20 -7.893 3.637 16.426 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.208 4.823 18.911 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.106 5.476 17.393 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.905 3.961 17.763 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -10.065 4.635 20.157 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.276 6.153 19.779 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.107 6.733 18.197 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.886 5.196 18.517 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.340 7.317 20.643 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -12.869 7.135 19.805 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -13.036 5.984 21.872 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.932 4.788 20.671 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.576 5.152 21.626 1.00 25.00 H new ATOM 363 N THR A 21 -8.497 1.795 19.094 1.00 25.00 N ATOM 364 CA THR A 21 -8.740 0.694 20.033 1.00 25.00 C ATOM 365 C THR A 21 -7.432 0.071 20.510 1.00 25.00 C ATOM 366 O THR A 21 -7.369 -0.498 21.595 1.00 25.00 O ATOM 367 CB THR A 21 -9.685 -0.395 19.431 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.411 -1.025 20.489 1.00 25.00 O ATOM 369 CG2 THR A 21 -8.932 -1.482 18.663 1.00 25.00 C ATOM 0 H THR A 21 -8.701 1.575 18.119 1.00 25.00 H new ATOM 0 HA THR A 21 -9.247 1.124 20.897 1.00 25.00 H new ATOM 0 HB THR A 21 -10.347 0.115 18.731 1.00 25.00 H new ATOM 0 HG1 THR A 21 -11.006 -1.708 20.116 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.643 -2.208 18.269 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.381 -1.030 17.838 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.234 -1.984 19.333 1.00 25.00 H new ATOM 377 N ARG A 22 -6.368 0.227 19.728 1.00 25.00 N ATOM 378 CA ARG A 22 -5.045 -0.242 20.140 1.00 25.00 C ATOM 379 C ARG A 22 -4.535 0.657 21.262 1.00 25.00 C ATOM 380 O ARG A 22 -3.715 0.252 22.077 1.00 25.00 O ATOM 381 CB ARG A 22 -4.087 -0.244 18.935 1.00 25.00 C ATOM 382 CG ARG A 22 -2.681 -0.839 19.187 1.00 25.00 C ATOM 383 CD ARG A 22 -2.649 -2.380 19.172 1.00 25.00 C ATOM 384 NE ARG A 22 -3.341 -2.982 20.327 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.813 -3.176 21.532 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.579 -2.855 21.824 1.00 25.00 N ATOM 387 NH2 ARG A 22 -3.552 -3.704 22.467 1.00 25.00 N ATOM 0 H ARG A 22 -6.393 0.672 18.810 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.104 -1.265 20.510 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.556 -0.802 18.124 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.969 0.783 18.589 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.995 -0.463 18.428 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.314 -0.486 20.151 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.110 -2.739 18.252 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -1.612 -2.716 19.161 1.00 25.00 H new ATOM 0 HE ARG A 22 -4.308 -3.275 20.190 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -0.979 -2.437 21.113 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.217 -3.023 22.763 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -4.519 -3.961 22.269 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -3.163 -3.860 23.397 1.00 25.00 H new ATOM 401 N GLY A 23 -5.048 1.880 21.307 1.00 25.00 N ATOM 402 CA GLY A 23 -4.674 2.822 22.351 1.00 25.00 C ATOM 403 C GLY A 23 -3.309 3.417 22.093 1.00 25.00 C ATOM 404 O GLY A 23 -2.711 4.049 22.967 1.00 25.00 O ATOM 0 H GLY A 23 -5.723 2.241 20.633 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.415 3.619 22.407 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.676 2.317 23.317 1.00 25.00 H new ATOM 408 N VAL A 24 -2.805 3.194 20.891 1.00 25.00 N ATOM 409 CA VAL A 24 -1.484 3.660 20.495 1.00 25.00 C ATOM 410 C VAL A 24 -1.604 5.110 20.015 1.00 25.00 C ATOM 411 O VAL A 24 -2.630 5.507 19.468 1.00 25.00 O ATOM 412 CB VAL A 24 -0.890 2.711 19.396 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.705 2.772 18.087 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.576 3.027 19.133 1.00 25.00 C ATOM 0 H VAL A 24 -3.300 2.684 20.160 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.794 3.636 21.338 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.957 1.693 19.779 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.262 2.101 17.351 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.733 2.467 18.284 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.697 3.791 17.700 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.962 2.354 18.367 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.670 4.058 18.791 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.147 2.896 20.052 1.00 25.00 H new ATOM 424 N LYS A 25 -0.580 5.916 20.263 1.00 25.00 N ATOM 425 CA LYS A 25 -0.589 7.323 19.851 1.00 25.00 C ATOM 426 C LYS A 25 0.505 7.538 18.820 1.00 25.00 C ATOM 427 O LYS A 25 1.607 7.958 19.146 1.00 25.00 O ATOM 428 CB LYS A 25 -0.387 8.256 21.059 1.00 25.00 C ATOM 429 CG LYS A 25 -1.594 8.334 22.013 1.00 25.00 C ATOM 430 CD LYS A 25 -1.539 7.273 23.116 1.00 25.00 C ATOM 431 CE LYS A 25 -2.807 7.289 23.960 1.00 25.00 C ATOM 432 NZ LYS A 25 -2.796 6.158 24.951 1.00 25.00 N ATOM 0 H LYS A 25 0.269 5.625 20.747 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.558 7.563 19.414 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.484 7.919 21.621 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.162 9.258 20.695 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -1.631 9.324 22.467 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.514 8.212 21.441 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.409 6.287 22.670 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.673 7.452 23.753 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -2.888 8.240 24.486 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -3.681 7.206 23.314 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -3.652 6.204 25.540 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -2.775 5.251 24.442 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -1.954 6.235 25.557 1.00 25.00 H new ATOM 446 N VAL A 26 0.177 7.247 17.574 1.00 25.00 N ATOM 447 CA VAL A 26 1.093 7.410 16.444 1.00 25.00 C ATOM 448 C VAL A 26 0.252 8.082 15.367 1.00 25.00 C ATOM 449 O VAL A 26 -0.906 7.719 15.175 1.00 25.00 O ATOM 450 CB VAL A 26 1.646 6.021 15.957 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.384 6.142 14.626 1.00 25.00 C ATOM 452 CG2 VAL A 26 2.610 5.433 17.001 1.00 25.00 C ATOM 0 H VAL A 26 -0.740 6.887 17.309 1.00 25.00 H new ATOM 0 HA VAL A 26 1.972 7.999 16.705 1.00 25.00 H new ATOM 0 HB VAL A 26 0.787 5.364 15.825 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.751 5.161 14.323 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.703 6.525 13.866 1.00 25.00 H new ATOM 0 HG13 VAL A 26 3.225 6.826 14.737 1.00 25.00 H new ATOM 0 HG21 VAL A 26 2.984 4.472 16.650 1.00 25.00 H new ATOM 0 HG22 VAL A 26 3.446 6.116 17.149 1.00 25.00 H new ATOM 0 HG23 VAL A 26 2.083 5.294 17.945 1.00 25.00 H new ATOM 462 N LYS A 27 0.800 9.096 14.710 1.00 25.00 N ATOM 463 CA LYS A 27 0.054 9.816 13.672 1.00 25.00 C ATOM 464 C LYS A 27 -0.223 8.858 12.518 1.00 25.00 C ATOM 465 O LYS A 27 0.574 7.975 12.232 1.00 25.00 O ATOM 466 CB LYS A 27 0.816 11.069 13.205 1.00 25.00 C ATOM 467 CG LYS A 27 2.142 10.793 12.512 1.00 25.00 C ATOM 468 CD LYS A 27 3.045 12.033 12.449 1.00 25.00 C ATOM 469 CE LYS A 27 4.276 11.916 13.382 1.00 25.00 C ATOM 470 NZ LYS A 27 5.401 11.059 12.826 1.00 25.00 N ATOM 0 H LYS A 27 1.747 9.440 14.870 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.894 10.168 14.079 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.177 11.632 12.524 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.001 11.707 14.069 1.00 25.00 H new ATOM 0 HG2 LYS A 27 2.664 9.995 13.039 1.00 25.00 H new ATOM 0 HG3 LYS A 27 1.951 10.435 11.500 1.00 25.00 H new ATOM 0 HD2 LYS A 27 3.383 12.181 11.423 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.466 12.915 12.724 1.00 25.00 H new ATOM 0 HE2 LYS A 27 4.661 12.916 13.583 1.00 25.00 H new ATOM 0 HE3 LYS A 27 3.956 11.500 14.337 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 6.292 11.304 13.303 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 5.185 10.055 12.989 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 5.497 11.231 11.805 1.00 25.00 H new ATOM 484 N PHE A 28 -1.362 9.026 11.869 1.00 25.00 N ATOM 485 CA PHE A 28 -1.806 8.087 10.840 1.00 25.00 C ATOM 486 C PHE A 28 -0.794 7.848 9.720 1.00 25.00 C ATOM 487 O PHE A 28 -0.555 6.714 9.331 1.00 25.00 O ATOM 488 CB PHE A 28 -3.122 8.586 10.243 1.00 25.00 C ATOM 489 CG PHE A 28 -4.180 7.532 10.172 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.955 7.233 11.307 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.412 6.827 8.979 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.946 6.230 11.259 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.403 5.824 8.919 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.174 5.528 10.063 1.00 25.00 C ATOM 0 H PHE A 28 -2.001 9.804 12.033 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.930 7.125 11.337 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.490 9.420 10.840 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.935 8.970 9.240 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.790 7.777 12.225 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -3.827 7.055 8.100 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.528 6.002 12.140 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -5.571 5.284 7.999 1.00 25.00 H new ATOM 0 HZ PHE A 28 -6.937 4.765 10.020 1.00 25.00 H new ATOM 504 N ALA A 29 -0.178 8.915 9.227 1.00 25.00 N ATOM 505 CA ALA A 29 0.766 8.804 8.114 1.00 25.00 C ATOM 506 C ALA A 29 2.009 8.003 8.508 1.00 25.00 C ATOM 507 O ALA A 29 2.642 7.372 7.678 1.00 25.00 O ATOM 508 CB ALA A 29 1.167 10.208 7.640 1.00 25.00 C ATOM 0 H ALA A 29 -0.312 9.864 9.576 1.00 25.00 H new ATOM 0 HA ALA A 29 0.275 8.269 7.301 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.870 10.125 6.811 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.279 10.748 7.310 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.637 10.749 8.461 1.00 25.00 H new ATOM 514 N ASP A 30 2.351 8.051 9.784 1.00 25.00 N ATOM 515 CA ASP A 30 3.524 7.355 10.303 1.00 25.00 C ATOM 516 C ASP A 30 3.200 5.882 10.468 1.00 25.00 C ATOM 517 O ASP A 30 3.994 5.026 10.114 1.00 25.00 O ATOM 518 CB ASP A 30 3.897 7.977 11.640 1.00 25.00 C ATOM 519 CG ASP A 30 5.194 7.469 12.200 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.287 6.291 12.570 1.00 25.00 O ATOM 521 OD2 ASP A 30 6.063 8.334 12.443 1.00 25.00 O ATOM 0 H ASP A 30 1.828 8.570 10.490 1.00 25.00 H new ATOM 0 HA ASP A 30 4.364 7.448 9.615 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.961 9.059 11.522 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.100 7.781 12.357 1.00 25.00 H new ATOM 526 N LEU A 31 1.996 5.589 10.942 1.00 25.00 N ATOM 527 CA LEU A 31 1.586 4.196 11.113 1.00 25.00 C ATOM 528 C LEU A 31 1.618 3.490 9.763 1.00 25.00 C ATOM 529 O LEU A 31 2.302 2.481 9.581 1.00 25.00 O ATOM 530 CB LEU A 31 0.178 4.121 11.727 1.00 25.00 C ATOM 531 CG LEU A 31 -0.377 2.729 12.101 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.130 2.104 10.935 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.698 1.763 12.565 1.00 25.00 C ATOM 0 H LEU A 31 1.296 6.280 11.211 1.00 25.00 H new ATOM 0 HA LEU A 31 2.278 3.699 11.793 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.173 4.735 12.627 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.518 4.580 11.024 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.057 2.902 12.935 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.509 1.125 11.229 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.965 2.747 10.655 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.457 1.992 10.085 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.243 0.804 12.813 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.429 1.623 11.769 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.194 2.167 13.447 1.00 25.00 H new ATOM 545 N LEU A 32 0.906 4.046 8.800 1.00 25.00 N ATOM 546 CA LEU A 32 0.913 3.477 7.443 1.00 25.00 C ATOM 547 C LEU A 32 2.274 3.510 6.756 1.00 25.00 C ATOM 548 O LEU A 32 2.517 2.741 5.840 1.00 25.00 O ATOM 549 CB LEU A 32 -0.086 4.185 6.528 1.00 25.00 C ATOM 550 CG LEU A 32 -1.559 3.765 6.610 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.775 2.256 6.589 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.173 4.360 7.816 1.00 25.00 C ATOM 0 H LEU A 32 0.323 4.875 8.916 1.00 25.00 H new ATOM 0 HA LEU A 32 0.633 2.435 7.595 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.031 5.253 6.737 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.245 4.044 5.499 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.044 4.142 5.710 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.842 2.040 6.650 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.374 1.844 5.663 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.264 1.803 7.439 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.220 4.063 7.876 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.645 4.010 8.703 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.107 5.447 7.759 1.00 25.00 H new ATOM 564 N LYS A 33 3.191 4.348 7.198 1.00 25.00 N ATOM 565 CA LYS A 33 4.530 4.329 6.594 1.00 25.00 C ATOM 566 C LYS A 33 5.222 2.996 6.889 1.00 25.00 C ATOM 567 O LYS A 33 5.939 2.460 6.056 1.00 25.00 O ATOM 568 CB LYS A 33 5.382 5.512 7.071 1.00 25.00 C ATOM 569 CG LYS A 33 6.798 5.581 6.460 1.00 25.00 C ATOM 570 CD LYS A 33 6.847 5.407 4.903 1.00 25.00 C ATOM 571 CE LYS A 33 6.007 6.439 4.131 1.00 25.00 C ATOM 572 NZ LYS A 33 5.831 6.019 2.689 1.00 25.00 N ATOM 0 H LYS A 33 3.054 5.030 7.944 1.00 25.00 H new ATOM 0 HA LYS A 33 4.417 4.431 5.515 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.856 6.438 6.837 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.472 5.462 8.156 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.245 6.541 6.719 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.415 4.808 6.918 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.883 5.477 4.572 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.498 4.406 4.648 1.00 25.00 H new ATOM 0 HE2 LYS A 33 5.031 6.547 4.604 1.00 25.00 H new ATOM 0 HE3 LYS A 33 6.492 7.414 4.174 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 5.556 6.844 2.118 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 6.726 5.631 2.329 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 5.089 5.293 2.627 1.00 25.00 H new ATOM 586 N PHE A 34 4.941 2.406 8.032 1.00 25.00 N ATOM 587 CA PHE A 34 5.476 1.083 8.327 1.00 25.00 C ATOM 588 C PHE A 34 4.749 0.005 7.519 1.00 25.00 C ATOM 589 O PHE A 34 5.313 -1.041 7.227 1.00 25.00 O ATOM 590 CB PHE A 34 5.454 0.826 9.825 1.00 25.00 C ATOM 591 CG PHE A 34 6.594 1.498 10.543 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.570 2.886 10.788 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.724 0.757 10.940 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.647 3.528 11.436 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.814 1.391 11.584 1.00 25.00 C ATOM 596 CZ PHE A 34 8.772 2.781 11.834 1.00 25.00 C ATOM 0 H PHE A 34 4.356 2.809 8.764 1.00 25.00 H new ATOM 0 HA PHE A 34 6.520 1.041 8.016 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.510 1.181 10.237 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.497 -0.248 10.007 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.715 3.467 10.475 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.759 -0.306 10.751 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.608 4.590 11.626 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.676 0.813 11.884 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.599 3.268 12.328 1.00 25.00 H new ATOM 606 N PHE A 35 3.523 0.279 7.096 1.00 25.00 N ATOM 607 CA PHE A 35 2.801 -0.646 6.212 1.00 25.00 C ATOM 608 C PHE A 35 3.457 -0.591 4.815 1.00 25.00 C ATOM 609 O PHE A 35 3.512 -1.591 4.115 1.00 25.00 O ATOM 610 CB PHE A 35 1.305 -0.289 6.103 1.00 25.00 C ATOM 611 CG PHE A 35 0.472 -0.619 7.340 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.965 -0.459 8.659 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.848 -1.076 7.175 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.154 -0.765 9.772 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.663 -1.380 8.292 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.161 -1.223 9.586 1.00 25.00 C ATOM 0 H PHE A 35 3.006 1.123 7.343 1.00 25.00 H new ATOM 0 HA PHE A 35 2.862 -1.651 6.631 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.215 0.778 5.897 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.882 -0.816 5.247 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.972 -0.099 8.814 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.247 -1.197 6.179 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.546 -0.647 10.771 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.673 -1.733 8.144 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.781 -1.453 10.440 1.00 25.00 H new ATOM 626 N ASP A 36 4.008 0.559 4.433 1.00 25.00 N ATOM 627 CA ASP A 36 4.759 0.669 3.165 1.00 25.00 C ATOM 628 C ASP A 36 6.075 -0.103 3.270 1.00 25.00 C ATOM 629 O ASP A 36 6.554 -0.667 2.292 1.00 25.00 O ATOM 630 CB ASP A 36 5.112 2.129 2.833 1.00 25.00 C ATOM 631 CG ASP A 36 4.050 2.830 2.016 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.515 2.240 1.058 1.00 25.00 O ATOM 633 OD2 ASP A 36 3.800 4.022 2.292 1.00 25.00 O ATOM 0 H ASP A 36 3.955 1.424 4.970 1.00 25.00 H new ATOM 0 HA ASP A 36 4.119 0.262 2.383 1.00 25.00 H new ATOM 0 HB2 ASP A 36 5.268 2.678 3.762 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.055 2.152 2.287 1.00 25.00 H new ATOM 638 N PHE A 37 6.655 -0.131 4.463 1.00 25.00 N ATOM 639 CA PHE A 37 7.924 -0.826 4.691 1.00 25.00 C ATOM 640 C PHE A 37 7.765 -2.331 4.462 1.00 25.00 C ATOM 641 O PHE A 37 8.674 -2.996 3.953 1.00 25.00 O ATOM 642 CB PHE A 37 8.418 -0.540 6.115 1.00 25.00 C ATOM 643 CG PHE A 37 9.823 -1.005 6.375 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.916 -0.338 5.790 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.067 -2.099 7.226 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.243 -0.764 6.042 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.390 -2.535 7.485 1.00 25.00 C ATOM 648 CZ PHE A 37 12.479 -1.859 6.894 1.00 25.00 C ATOM 0 H PHE A 37 6.269 0.320 5.293 1.00 25.00 H new ATOM 0 HA PHE A 37 8.664 -0.458 3.980 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.360 0.532 6.301 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.748 -1.023 6.826 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.741 0.508 5.142 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.236 -2.612 7.687 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.073 -0.249 5.581 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.565 -3.382 8.132 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.490 -2.181 7.095 1.00 25.00 H new ATOM 658 N VAL A 38 6.576 -2.849 4.750 1.00 25.00 N ATOM 659 CA VAL A 38 6.257 -4.246 4.444 1.00 25.00 C ATOM 660 C VAL A 38 6.336 -4.448 2.967 1.00 25.00 C ATOM 661 O VAL A 38 6.906 -5.416 2.492 1.00 25.00 O ATOM 662 CB VAL A 38 4.793 -4.616 4.811 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.439 -6.064 4.380 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.570 -4.438 6.250 1.00 25.00 C ATOM 0 H VAL A 38 5.818 -2.329 5.193 1.00 25.00 H new ATOM 0 HA VAL A 38 6.960 -4.853 5.014 1.00 25.00 H new ATOM 0 HB VAL A 38 4.134 -3.943 4.263 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.407 -6.283 4.655 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.556 -6.161 3.301 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.105 -6.766 4.882 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.541 -4.701 6.494 1.00 25.00 H new ATOM 0 HG22 VAL A 38 5.250 -5.083 6.806 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.753 -3.398 6.521 1.00 25.00 H new ATOM 674 N LYS A 39 5.689 -3.554 2.238 1.00 25.00 N ATOM 675 CA LYS A 39 5.514 -3.753 0.819 1.00 25.00 C ATOM 676 C LYS A 39 6.864 -3.813 0.119 1.00 25.00 C ATOM 677 O LYS A 39 7.060 -4.600 -0.795 1.00 25.00 O ATOM 678 CB LYS A 39 4.637 -2.633 0.228 1.00 25.00 C ATOM 679 CG LYS A 39 4.540 -2.618 -1.310 1.00 25.00 C ATOM 680 CD LYS A 39 5.562 -1.644 -1.939 1.00 25.00 C ATOM 681 CE LYS A 39 6.288 -2.284 -3.123 1.00 25.00 C ATOM 682 NZ LYS A 39 7.385 -1.396 -3.642 1.00 25.00 N ATOM 0 H LYS A 39 5.282 -2.694 2.605 1.00 25.00 H new ATOM 0 HA LYS A 39 5.008 -4.705 0.658 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.632 -2.726 0.639 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.030 -1.672 0.561 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.711 -3.623 -1.695 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.532 -2.330 -1.608 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.050 -0.741 -2.270 1.00 25.00 H new ATOM 0 HD3 LYS A 39 6.289 -1.341 -1.186 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.708 -3.243 -2.819 1.00 25.00 H new ATOM 0 HE3 LYS A 39 5.575 -2.488 -3.922 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.743 -1.776 -4.541 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 7.012 -0.437 -3.796 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 8.159 -1.359 -2.949 1.00 25.00 H new ATOM 696 N ASP A 40 7.781 -2.953 0.529 1.00 25.00 N ATOM 697 CA ASP A 40 9.081 -2.877 -0.131 1.00 25.00 C ATOM 698 C ASP A 40 9.977 -4.069 0.193 1.00 25.00 C ATOM 699 O ASP A 40 10.546 -4.682 -0.704 1.00 25.00 O ATOM 700 CB ASP A 40 9.788 -1.573 0.242 1.00 25.00 C ATOM 701 CG ASP A 40 10.290 -0.820 -0.979 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.540 -0.757 -1.987 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.400 -0.263 -0.930 1.00 25.00 O ATOM 0 H ASP A 40 7.656 -2.304 1.306 1.00 25.00 H new ATOM 0 HA ASP A 40 8.893 -2.900 -1.204 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.102 -0.937 0.801 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.628 -1.793 0.901 1.00 25.00 H new ATOM 708 N THR A 41 10.079 -4.416 1.470 1.00 25.00 N ATOM 709 CA THR A 41 10.932 -5.536 1.888 1.00 25.00 C ATOM 710 C THR A 41 10.323 -6.878 1.470 1.00 25.00 C ATOM 711 O THR A 41 11.027 -7.849 1.207 1.00 25.00 O ATOM 712 CB THR A 41 11.133 -5.538 3.423 1.00 25.00 C ATOM 713 OG1 THR A 41 11.260 -4.191 3.889 1.00 25.00 O ATOM 714 CG2 THR A 41 12.400 -6.291 3.812 1.00 25.00 C ATOM 0 H THR A 41 9.589 -3.947 2.232 1.00 25.00 H new ATOM 0 HA THR A 41 11.895 -5.406 1.395 1.00 25.00 H new ATOM 0 HB THR A 41 10.269 -6.028 3.872 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.369 -3.810 4.035 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.514 -6.275 4.896 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.329 -7.323 3.469 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.264 -5.813 3.349 1.00 25.00 H new ATOM 722 N CYS A 42 9.001 -6.918 1.402 1.00 25.00 N ATOM 723 CA CYS A 42 8.268 -8.112 0.996 1.00 25.00 C ATOM 724 C CYS A 42 7.346 -7.791 -0.176 1.00 25.00 C ATOM 725 O CYS A 42 6.140 -7.627 0.009 1.00 25.00 O ATOM 726 CB CYS A 42 7.430 -8.629 2.164 1.00 25.00 C ATOM 727 SG CYS A 42 8.425 -9.121 3.558 1.00 25.00 S ATOM 0 H CYS A 42 8.403 -6.123 1.627 1.00 25.00 H new ATOM 0 HA CYS A 42 8.986 -8.874 0.693 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.732 -7.853 2.477 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.834 -9.478 1.830 1.00 25.00 H new ATOM 0 HG CYS A 42 9.606 -9.475 3.145 1.00 25.00 H new ATOM 733 N PRO A 43 7.889 -7.738 -1.406 1.00 25.00 N ATOM 734 CA PRO A 43 7.031 -7.413 -2.555 1.00 25.00 C ATOM 735 C PRO A 43 6.070 -8.547 -2.876 1.00 25.00 C ATOM 736 O PRO A 43 5.048 -8.361 -3.526 1.00 25.00 O ATOM 737 CB PRO A 43 8.043 -7.185 -3.679 1.00 25.00 C ATOM 738 CG PRO A 43 9.187 -8.072 -3.325 1.00 25.00 C ATOM 739 CD PRO A 43 9.282 -7.993 -1.820 1.00 25.00 C ATOM 0 HA PRO A 43 6.385 -6.552 -2.382 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.624 -7.444 -4.651 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.350 -6.141 -3.733 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.012 -9.095 -3.658 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.110 -7.736 -3.798 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.666 -8.919 -1.392 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.950 -7.193 -1.500 1.00 25.00 H new ATOM 747 N TRP A 44 6.387 -9.723 -2.359 1.00 25.00 N ATOM 748 CA TRP A 44 5.535 -10.886 -2.499 1.00 25.00 C ATOM 749 C TRP A 44 4.363 -10.855 -1.515 1.00 25.00 C ATOM 750 O TRP A 44 3.401 -11.563 -1.708 1.00 25.00 O ATOM 751 CB TRP A 44 6.364 -12.146 -2.285 1.00 25.00 C ATOM 752 CG TRP A 44 7.425 -11.952 -1.256 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.251 -11.771 0.066 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.850 -11.890 -1.466 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.438 -11.612 0.720 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.452 -11.671 -0.193 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.678 -11.980 -2.603 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.844 -11.543 -0.028 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.083 -11.856 -2.442 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.648 -11.635 -1.150 1.00 25.00 C ATOM 0 H TRP A 44 7.243 -9.895 -1.831 1.00 25.00 H new ATOM 0 HA TRP A 44 5.116 -10.881 -3.505 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.709 -12.963 -1.980 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.824 -12.441 -3.228 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.287 -11.754 0.552 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.549 -11.472 1.724 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.250 -12.141 -3.582 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.273 -11.377 0.949 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.730 -11.929 -3.304 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.719 -11.538 -1.047 1.00 25.00 H new ATOM 771 N PHE A 45 4.406 -10.033 -0.474 1.00 25.00 N ATOM 772 CA PHE A 45 3.280 -10.004 0.469 1.00 25.00 C ATOM 773 C PHE A 45 1.999 -9.431 -0.168 1.00 25.00 C ATOM 774 O PHE A 45 0.952 -10.082 -0.117 1.00 25.00 O ATOM 775 CB PHE A 45 3.627 -9.252 1.756 1.00 25.00 C ATOM 776 CG PHE A 45 2.535 -9.309 2.791 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.429 -10.415 3.658 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.588 -8.273 2.889 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.394 -10.480 4.626 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.545 -8.331 3.847 1.00 25.00 C ATOM 781 CZ PHE A 45 0.452 -9.435 4.718 1.00 25.00 C ATOM 0 H PHE A 45 5.174 -9.397 -0.260 1.00 25.00 H new ATOM 0 HA PHE A 45 3.080 -11.043 0.733 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.541 -9.670 2.178 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.836 -8.210 1.515 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.143 -11.222 3.585 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.657 -7.423 2.226 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.328 -11.328 5.291 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.177 -7.530 3.909 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.338 -9.480 5.453 1.00 25.00 H new ATOM 791 N PRO A 46 2.062 -8.245 -0.824 1.00 25.00 N ATOM 792 CA PRO A 46 0.799 -7.878 -1.476 1.00 25.00 C ATOM 793 C PRO A 46 0.456 -8.783 -2.664 1.00 25.00 C ATOM 794 O PRO A 46 -0.702 -8.913 -3.030 1.00 25.00 O ATOM 795 CB PRO A 46 1.051 -6.434 -1.922 1.00 25.00 C ATOM 796 CG PRO A 46 2.501 -6.374 -2.158 1.00 25.00 C ATOM 797 CD PRO A 46 3.090 -7.206 -1.052 1.00 25.00 C ATOM 0 HA PRO A 46 -0.057 -7.987 -0.811 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.491 -6.193 -2.825 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.743 -5.722 -1.157 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.762 -6.773 -3.138 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.868 -5.348 -2.123 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.046 -7.642 -1.342 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.269 -6.614 -0.155 1.00 25.00 H new ATOM 805 N GLN A 47 1.464 -9.441 -3.228 1.00 25.00 N ATOM 806 CA GLN A 47 1.268 -10.385 -4.329 1.00 25.00 C ATOM 807 C GLN A 47 0.511 -11.638 -3.864 1.00 25.00 C ATOM 808 O GLN A 47 -0.312 -12.180 -4.597 1.00 25.00 O ATOM 809 CB GLN A 47 2.637 -10.781 -4.882 1.00 25.00 C ATOM 810 CG GLN A 47 2.589 -11.533 -6.182 1.00 25.00 C ATOM 811 CD GLN A 47 3.969 -11.842 -6.712 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.918 -12.013 -5.960 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.089 -11.910 -8.007 1.00 25.00 N ATOM 0 H GLN A 47 2.436 -9.337 -2.938 1.00 25.00 H new ATOM 0 HA GLN A 47 0.669 -9.905 -5.103 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.234 -9.879 -5.020 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.151 -11.393 -4.141 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.039 -12.463 -6.042 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.041 -10.946 -6.919 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.275 -11.762 -8.603 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.997 -12.112 -8.425 1.00 25.00 H new ATOM 822 N GLU A 48 0.778 -12.076 -2.639 1.00 25.00 N ATOM 823 CA GLU A 48 0.079 -13.217 -2.041 1.00 25.00 C ATOM 824 C GLU A 48 -1.394 -12.856 -1.841 1.00 25.00 C ATOM 825 O GLU A 48 -2.265 -13.726 -1.866 1.00 25.00 O ATOM 826 CB GLU A 48 0.714 -13.588 -0.686 1.00 25.00 C ATOM 827 CG GLU A 48 2.035 -14.370 -0.800 1.00 25.00 C ATOM 828 CD GLU A 48 2.737 -14.561 0.553 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.130 -15.179 1.458 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.917 -14.159 0.700 1.00 25.00 O ATOM 0 H GLU A 48 1.481 -11.655 -2.031 1.00 25.00 H new ATOM 0 HA GLU A 48 0.161 -14.075 -2.708 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.894 -12.674 -0.120 1.00 25.00 H new ATOM 0 HB3 GLU A 48 0.001 -14.182 -0.114 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.836 -15.347 -1.241 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.705 -13.844 -1.480 1.00 25.00 H new ATOM 837 N GLY A 49 -1.658 -11.566 -1.652 1.00 25.00 N ATOM 838 CA GLY A 49 -3.021 -11.053 -1.561 1.00 25.00 C ATOM 839 C GLY A 49 -3.848 -11.622 -0.427 1.00 25.00 C ATOM 840 O GLY A 49 -5.068 -11.526 -0.439 1.00 25.00 O ATOM 0 H GLY A 49 -0.937 -10.851 -1.558 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.978 -9.969 -1.450 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.533 -11.257 -2.501 1.00 25.00 H new ATOM 844 N THR A 50 -3.192 -12.256 0.530 1.00 25.00 N ATOM 845 CA THR A 50 -3.876 -12.938 1.619 1.00 25.00 C ATOM 846 C THR A 50 -3.188 -12.541 2.912 1.00 25.00 C ATOM 847 O THR A 50 -1.959 -12.469 2.965 1.00 25.00 O ATOM 848 CB THR A 50 -3.806 -14.464 1.428 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.266 -14.808 0.120 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.668 -15.199 2.449 1.00 25.00 C ATOM 0 H THR A 50 -2.175 -12.313 0.576 1.00 25.00 H new ATOM 0 HA THR A 50 -4.928 -12.654 1.641 1.00 25.00 H new ATOM 0 HB THR A 50 -2.767 -14.763 1.564 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.620 -14.495 -0.547 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.593 -16.274 2.282 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.322 -14.963 3.455 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.707 -14.887 2.340 1.00 25.00 H new ATOM 858 N ILE A 51 -3.969 -12.230 3.932 1.00 25.00 N ATOM 859 CA ILE A 51 -3.443 -11.676 5.172 1.00 25.00 C ATOM 860 C ILE A 51 -3.864 -12.542 6.352 1.00 25.00 C ATOM 861 O ILE A 51 -4.990 -12.500 6.837 1.00 25.00 O ATOM 862 CB ILE A 51 -3.914 -10.205 5.327 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.386 -9.383 4.134 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.421 -9.578 6.661 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.906 -8.003 4.067 1.00 25.00 C ATOM 0 H ILE A 51 -4.982 -12.353 3.927 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.353 -11.674 5.145 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.004 -10.192 5.344 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.298 -9.346 4.187 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.643 -9.900 3.210 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.772 -8.548 6.731 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.813 -10.153 7.500 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.331 -9.593 6.689 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.484 -7.497 3.199 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.992 -8.027 3.980 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.626 -7.464 4.972 1.00 25.00 H new ATOM 877 N ASP A 52 -2.912 -13.332 6.814 1.00 25.00 N ATOM 878 CA ASP A 52 -3.090 -14.186 7.978 1.00 25.00 C ATOM 879 C ASP A 52 -1.790 -14.119 8.743 1.00 25.00 C ATOM 880 O ASP A 52 -0.769 -13.725 8.187 1.00 25.00 O ATOM 881 CB ASP A 52 -3.364 -15.635 7.580 1.00 25.00 C ATOM 882 CG ASP A 52 -3.416 -16.553 8.782 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.166 -16.250 9.729 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.515 -17.411 8.887 1.00 25.00 O ATOM 0 H ASP A 52 -1.987 -13.401 6.390 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.944 -13.849 8.566 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.310 -15.690 7.041 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.587 -15.976 6.896 1.00 25.00 H new ATOM 889 N ILE A 53 -1.811 -14.523 9.999 1.00 25.00 N ATOM 890 CA ILE A 53 -0.633 -14.488 10.848 1.00 25.00 C ATOM 891 C ILE A 53 0.488 -15.383 10.304 1.00 25.00 C ATOM 892 O ILE A 53 1.662 -15.083 10.485 1.00 25.00 O ATOM 893 CB ILE A 53 -1.045 -14.863 12.294 1.00 25.00 C ATOM 894 CG1 ILE A 53 0.066 -14.520 13.310 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.456 -16.344 12.402 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.363 -13.025 13.461 1.00 25.00 C ATOM 0 H ILE A 53 -2.645 -14.885 10.461 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.222 -13.479 10.855 1.00 25.00 H new ATOM 0 HB ILE A 53 -1.918 -14.259 12.543 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.217 -14.920 14.284 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.982 -15.029 13.010 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.738 -16.569 13.430 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.303 -16.536 11.743 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.618 -16.976 12.109 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.156 -12.884 14.195 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.681 -12.618 12.501 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.536 -12.507 13.794 1.00 25.00 H new ATOM 908 N LYS A 54 0.141 -16.432 9.568 1.00 25.00 N ATOM 909 CA LYS A 54 1.156 -17.276 8.912 1.00 25.00 C ATOM 910 C LYS A 54 1.952 -16.469 7.894 1.00 25.00 C ATOM 911 O LYS A 54 3.164 -16.604 7.796 1.00 25.00 O ATOM 912 CB LYS A 54 0.497 -18.446 8.172 1.00 25.00 C ATOM 913 CG LYS A 54 0.032 -19.595 9.062 1.00 25.00 C ATOM 914 CD LYS A 54 1.190 -20.529 9.412 1.00 25.00 C ATOM 915 CE LYS A 54 0.679 -21.791 10.103 1.00 25.00 C ATOM 916 NZ LYS A 54 1.797 -22.768 10.363 1.00 25.00 N ATOM 0 H LYS A 54 -0.823 -16.724 9.406 1.00 25.00 H new ATOM 0 HA LYS A 54 1.816 -17.652 9.694 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.361 -18.067 7.616 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.204 -18.837 7.440 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.405 -19.195 9.977 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.751 -20.158 8.554 1.00 25.00 H new ATOM 0 HD2 LYS A 54 1.732 -20.799 8.506 1.00 25.00 H new ATOM 0 HD3 LYS A 54 1.895 -20.013 10.063 1.00 25.00 H new ATOM 0 HE2 LYS A 54 0.201 -21.523 11.046 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -0.082 -22.264 9.483 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 1.416 -23.614 10.833 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 2.236 -23.041 9.461 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 2.511 -22.324 10.975 1.00 25.00 H new ATOM 930 N ARG A 55 1.261 -15.644 7.123 1.00 25.00 N ATOM 931 CA ARG A 55 1.910 -14.858 6.072 1.00 25.00 C ATOM 932 C ARG A 55 2.520 -13.596 6.657 1.00 25.00 C ATOM 933 O ARG A 55 3.545 -13.128 6.203 1.00 25.00 O ATOM 934 CB ARG A 55 0.904 -14.521 4.972 1.00 25.00 C ATOM 935 CG ARG A 55 0.329 -15.772 4.300 1.00 25.00 C ATOM 936 CD ARG A 55 -0.694 -15.395 3.260 1.00 25.00 C ATOM 937 NE ARG A 55 -1.406 -16.560 2.701 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.067 -17.220 1.598 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.002 -16.939 0.902 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.834 -18.189 1.182 1.00 25.00 N ATOM 0 H ARG A 55 0.254 -15.498 7.200 1.00 25.00 H new ATOM 0 HA ARG A 55 2.714 -15.449 5.632 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.090 -13.934 5.396 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.388 -13.898 4.220 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.133 -16.344 3.836 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.129 -16.416 5.051 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.419 -14.712 3.703 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.200 -14.856 2.451 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.230 -16.888 3.205 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.620 -16.183 1.199 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.219 -17.475 0.062 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.678 -18.430 1.701 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.589 -18.706 0.338 1.00 25.00 H new ATOM 954 N TRP A 56 1.925 -13.093 7.724 1.00 25.00 N ATOM 955 CA TRP A 56 2.480 -11.945 8.428 1.00 25.00 C ATOM 956 C TRP A 56 3.820 -12.312 9.061 1.00 25.00 C ATOM 957 O TRP A 56 4.732 -11.499 9.115 1.00 25.00 O ATOM 958 CB TRP A 56 1.500 -11.459 9.494 1.00 25.00 C ATOM 959 CG TRP A 56 1.889 -10.143 10.075 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.176 -9.867 11.368 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.053 -8.894 9.374 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.506 -8.556 11.543 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.456 -7.924 10.335 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.912 -8.497 8.028 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.730 -6.590 9.990 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.185 -7.155 7.678 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.587 -6.213 8.671 1.00 25.00 C ATOM 0 H TRP A 56 1.060 -13.458 8.123 1.00 25.00 H new ATOM 0 HA TRP A 56 2.645 -11.138 7.714 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.505 -11.379 9.057 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.440 -12.200 10.291 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.147 -10.596 12.164 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.750 -8.119 12.432 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.600 -9.207 7.276 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.045 -5.878 10.739 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.088 -6.840 6.650 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.782 -5.190 8.386 1.00 25.00 H new ATOM 978 N ARG A 57 3.962 -13.562 9.486 1.00 25.00 N ATOM 979 CA ARG A 57 5.237 -14.043 10.022 1.00 25.00 C ATOM 980 C ARG A 57 6.332 -13.995 8.973 1.00 25.00 C ATOM 981 O ARG A 57 7.409 -13.526 9.267 1.00 25.00 O ATOM 982 CB ARG A 57 5.086 -15.446 10.602 1.00 25.00 C ATOM 983 CG ARG A 57 4.640 -15.406 12.057 1.00 25.00 C ATOM 984 CD ARG A 57 3.913 -16.671 12.467 1.00 25.00 C ATOM 985 NE ARG A 57 3.647 -16.675 13.918 1.00 25.00 N ATOM 986 CZ ARG A 57 2.548 -17.141 14.503 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.564 -17.677 13.826 1.00 25.00 N ATOM 988 NH2 ARG A 57 2.436 -17.061 15.800 1.00 25.00 N ATOM 0 H ARG A 57 3.218 -14.259 9.472 1.00 25.00 H new ATOM 0 HA ARG A 57 5.533 -13.375 10.831 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.360 -16.007 10.014 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.036 -15.976 10.526 1.00 25.00 H new ATOM 0 HG2 ARG A 57 5.510 -15.265 12.698 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.987 -14.547 12.212 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.973 -16.749 11.920 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.511 -17.542 12.200 1.00 25.00 H new ATOM 0 HE ARG A 57 4.369 -16.287 14.525 1.00 25.00 H new ATOM 0 HH11 ARG A 57 1.624 -17.749 12.810 1.00 25.00 H new ATOM 0 HH12 ARG A 57 0.738 -18.023 14.314 1.00 25.00 H new ATOM 0 HH21 ARG A 57 3.186 -16.645 16.352 1.00 25.00 H new ATOM 0 HH22 ARG A 57 1.598 -17.414 16.262 1.00 25.00 H new ATOM 1002 N ARG A 58 6.017 -14.349 7.731 1.00 25.00 N ATOM 1003 CA ARG A 58 6.994 -14.247 6.631 1.00 25.00 C ATOM 1004 C ARG A 58 7.548 -12.830 6.490 1.00 25.00 C ATOM 1005 O ARG A 58 8.698 -12.654 6.128 1.00 25.00 O ATOM 1006 CB ARG A 58 6.366 -14.676 5.295 1.00 25.00 C ATOM 1007 CG ARG A 58 6.164 -16.178 5.161 1.00 25.00 C ATOM 1008 CD ARG A 58 5.180 -16.553 4.027 1.00 25.00 C ATOM 1009 NE ARG A 58 5.424 -15.866 2.741 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.412 -16.121 1.891 1.00 25.00 C ATOM 1011 NH1 ARG A 58 7.341 -17.018 2.127 1.00 25.00 N ATOM 1012 NH2 ARG A 58 6.459 -15.453 0.777 1.00 25.00 N ATOM 0 H ARG A 58 5.103 -14.707 7.453 1.00 25.00 H new ATOM 0 HA ARG A 58 7.815 -14.919 6.881 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.403 -14.179 5.182 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.001 -14.331 4.479 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.126 -16.654 4.973 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.791 -16.575 6.105 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.230 -17.629 3.863 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.166 -16.328 4.356 1.00 25.00 H new ATOM 0 HE ARG A 58 4.772 -15.126 2.482 1.00 25.00 H new ATOM 0 HH11 ARG A 58 7.323 -17.554 2.994 1.00 25.00 H new ATOM 0 HH12 ARG A 58 8.080 -17.179 1.443 1.00 25.00 H new ATOM 0 HH21 ARG A 58 5.747 -14.752 0.572 1.00 25.00 H new ATOM 0 HH22 ARG A 58 7.208 -15.630 0.107 1.00 25.00 H new ATOM 1026 N VAL A 59 6.741 -11.826 6.797 1.00 25.00 N ATOM 1027 CA VAL A 59 7.194 -10.432 6.731 1.00 25.00 C ATOM 1028 C VAL A 59 8.211 -10.147 7.826 1.00 25.00 C ATOM 1029 O VAL A 59 9.227 -9.495 7.600 1.00 25.00 O ATOM 1030 CB VAL A 59 6.005 -9.447 6.902 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.469 -8.004 6.831 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.959 -9.710 5.843 1.00 25.00 C ATOM 0 H VAL A 59 5.772 -11.942 7.094 1.00 25.00 H new ATOM 0 HA VAL A 59 7.649 -10.288 5.751 1.00 25.00 H new ATOM 0 HB VAL A 59 5.569 -9.611 7.888 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.613 -7.340 6.954 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.192 -7.815 7.624 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.935 -7.819 5.863 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.129 -9.015 5.971 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.399 -9.573 4.855 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.594 -10.733 5.938 1.00 25.00 H new ATOM 1042 N GLY A 60 7.938 -10.642 9.018 1.00 25.00 N ATOM 1043 CA GLY A 60 8.826 -10.397 10.134 1.00 25.00 C ATOM 1044 C GLY A 60 10.106 -11.192 10.008 1.00 25.00 C ATOM 1045 O GLY A 60 11.180 -10.711 10.364 1.00 25.00 O ATOM 0 H GLY A 60 7.119 -11.209 9.236 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.060 -9.334 10.187 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.323 -10.660 11.065 1.00 25.00 H new ATOM 1049 N ASP A 61 9.995 -12.387 9.445 1.00 25.00 N ATOM 1050 CA ASP A 61 11.152 -13.241 9.185 1.00 25.00 C ATOM 1051 C ASP A 61 12.056 -12.502 8.194 1.00 25.00 C ATOM 1052 O ASP A 61 13.275 -12.473 8.332 1.00 25.00 O ATOM 1053 CB ASP A 61 10.707 -14.584 8.573 1.00 25.00 C ATOM 1054 CG ASP A 61 9.772 -15.384 9.490 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.848 -15.243 10.731 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.929 -16.145 8.948 1.00 25.00 O ATOM 0 H ASP A 61 9.105 -12.793 9.156 1.00 25.00 H new ATOM 0 HA ASP A 61 11.679 -13.451 10.116 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.202 -14.395 7.626 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.589 -15.185 8.350 1.00 25.00 H new ATOM 1061 N CYS A 62 11.428 -11.854 7.220 1.00 25.00 N ATOM 1062 CA CYS A 62 12.143 -11.074 6.214 1.00 25.00 C ATOM 1063 C CYS A 62 12.880 -9.899 6.839 1.00 25.00 C ATOM 1064 O CYS A 62 14.042 -9.654 6.529 1.00 25.00 O ATOM 1065 CB CYS A 62 11.153 -10.538 5.182 1.00 25.00 C ATOM 1066 SG CYS A 62 11.858 -10.329 3.532 1.00 25.00 S ATOM 0 H CYS A 62 10.415 -11.853 7.104 1.00 25.00 H new ATOM 0 HA CYS A 62 12.872 -11.731 5.741 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.304 -11.218 5.120 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.768 -9.578 5.526 1.00 25.00 H new ATOM 0 HG CYS A 62 11.016 -10.764 2.642 1.00 25.00 H new ATOM 1072 N PHE A 63 12.218 -9.180 7.740 1.00 25.00 N ATOM 1073 CA PHE A 63 12.857 -8.042 8.398 1.00 25.00 C ATOM 1074 C PHE A 63 14.051 -8.522 9.198 1.00 25.00 C ATOM 1075 O PHE A 63 15.045 -7.824 9.285 1.00 25.00 O ATOM 1076 CB PHE A 63 11.921 -7.328 9.381 1.00 25.00 C ATOM 1077 CG PHE A 63 10.723 -6.647 8.747 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.760 -6.141 7.429 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.547 -6.473 9.507 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.634 -5.472 6.879 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.425 -5.798 8.968 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.472 -5.298 7.652 1.00 25.00 C ATOM 0 H PHE A 63 11.256 -9.359 8.029 1.00 25.00 H new ATOM 0 HA PHE A 63 13.143 -7.349 7.607 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.563 -8.054 10.111 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.496 -6.582 9.930 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.653 -6.264 6.834 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.502 -6.860 10.514 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.670 -5.097 5.867 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.535 -5.667 9.565 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.618 -4.782 7.238 1.00 25.00 H new ATOM 1092 N GLN A 64 13.945 -9.696 9.804 1.00 25.00 N ATOM 1093 CA GLN A 64 15.027 -10.216 10.632 1.00 25.00 C ATOM 1094 C GLN A 64 16.236 -10.570 9.778 1.00 25.00 C ATOM 1095 O GLN A 64 17.363 -10.285 10.154 1.00 25.00 O ATOM 1096 CB GLN A 64 14.558 -11.446 11.417 1.00 25.00 C ATOM 1097 CG GLN A 64 15.551 -11.888 12.485 1.00 25.00 C ATOM 1098 CD GLN A 64 15.034 -13.044 13.307 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.037 -14.180 12.875 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.600 -12.758 14.508 1.00 25.00 N ATOM 0 H GLN A 64 13.128 -10.303 9.740 1.00 25.00 H new ATOM 0 HA GLN A 64 15.318 -9.439 11.339 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.601 -11.225 11.889 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.389 -12.270 10.723 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.489 -12.175 12.009 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.771 -11.047 13.143 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.612 -11.793 14.838 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.250 -13.500 15.114 1.00 25.00 H new ATOM 1109 N ASP A 65 16.006 -11.154 8.615 1.00 25.00 N ATOM 1110 CA ASP A 65 17.107 -11.528 7.730 1.00 25.00 C ATOM 1111 C ASP A 65 17.798 -10.287 7.190 1.00 25.00 C ATOM 1112 O ASP A 65 19.024 -10.179 7.186 1.00 25.00 O ATOM 1113 CB ASP A 65 16.576 -12.353 6.569 1.00 25.00 C ATOM 1114 CG ASP A 65 17.683 -13.050 5.801 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.686 -13.445 6.432 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.541 -13.219 4.573 1.00 25.00 O ATOM 0 H ASP A 65 15.077 -11.380 8.259 1.00 25.00 H new ATOM 0 HA ASP A 65 17.826 -12.116 8.300 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.875 -13.097 6.946 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.019 -11.706 5.891 1.00 25.00 H new ATOM 1121 N TYR A 66 16.996 -9.311 6.798 1.00 25.00 N ATOM 1122 CA TYR A 66 17.518 -8.041 6.313 1.00 25.00 C ATOM 1123 C TYR A 66 18.286 -7.337 7.432 1.00 25.00 C ATOM 1124 O TYR A 66 19.323 -6.717 7.199 1.00 25.00 O ATOM 1125 CB TYR A 66 16.359 -7.164 5.843 1.00 25.00 C ATOM 1126 CG TYR A 66 16.513 -6.652 4.433 1.00 25.00 C ATOM 1127 CD1 TYR A 66 16.201 -7.475 3.333 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.950 -5.334 4.184 1.00 25.00 C ATOM 1129 CE1 TYR A 66 16.332 -6.997 2.003 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.082 -4.851 2.853 1.00 25.00 C ATOM 1131 CZ TYR A 66 16.772 -5.688 1.778 1.00 25.00 C ATOM 1132 OH TYR A 66 16.898 -5.227 0.493 1.00 25.00 O ATOM 0 H TYR A 66 15.978 -9.373 6.806 1.00 25.00 H new ATOM 0 HA TYR A 66 18.196 -8.220 5.478 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.433 -7.735 5.913 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.262 -6.314 6.519 1.00 25.00 H new ATOM 0 HD1 TYR A 66 15.857 -8.484 3.504 1.00 25.00 H new ATOM 0 HD2 TYR A 66 17.187 -4.684 5.014 1.00 25.00 H new ATOM 0 HE1 TYR A 66 16.093 -7.640 1.169 1.00 25.00 H new ATOM 0 HE2 TYR A 66 17.421 -3.841 2.674 1.00 25.00 H new ATOM 0 HH TYR A 66 17.213 -4.299 0.508 1.00 25.00 H new ATOM 1142 N PHE A 67 17.796 -7.467 8.657 1.00 25.00 N ATOM 1143 CA PHE A 67 18.459 -6.862 9.816 1.00 25.00 C ATOM 1144 C PHE A 67 19.795 -7.549 10.090 1.00 25.00 C ATOM 1145 O PHE A 67 20.770 -6.894 10.433 1.00 25.00 O ATOM 1146 CB PHE A 67 17.554 -6.970 11.047 1.00 25.00 C ATOM 1147 CG PHE A 67 18.103 -6.296 12.273 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.968 -6.988 13.144 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.738 -4.975 12.581 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.475 -6.360 14.309 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.225 -4.342 13.745 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.102 -5.034 14.608 1.00 25.00 C ATOM 0 H PHE A 67 16.945 -7.983 8.879 1.00 25.00 H new ATOM 0 HA PHE A 67 18.649 -5.811 9.599 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.583 -6.535 10.810 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.385 -8.024 11.269 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.247 -8.007 12.922 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.076 -4.437 11.919 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.145 -6.896 14.965 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.927 -3.330 13.975 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.486 -4.549 15.494 1.00 25.00 H new ATOM 1162 N ASN A 68 19.849 -8.862 9.924 1.00 25.00 N ATOM 1163 CA ASN A 68 21.086 -9.604 10.171 1.00 25.00 C ATOM 1164 C ASN A 68 22.120 -9.295 9.095 1.00 25.00 C ATOM 1165 O ASN A 68 23.312 -9.208 9.371 1.00 25.00 O ATOM 1166 CB ASN A 68 20.825 -11.116 10.169 1.00 25.00 C ATOM 1167 CG ASN A 68 19.966 -11.567 11.322 1.00 25.00 C ATOM 1168 OD1 ASN A 68 19.974 -10.981 12.397 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.235 -12.629 11.115 1.00 25.00 N ATOM 0 H ASN A 68 19.061 -9.435 9.622 1.00 25.00 H new ATOM 0 HA ASN A 68 21.461 -9.297 11.147 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.342 -11.394 9.232 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.778 -11.644 10.205 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.646 -12.996 11.862 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.253 -13.092 10.206 1.00 25.00 H new ATOM 1176 N THR A 69 21.657 -9.166 7.862 1.00 25.00 N ATOM 1177 CA THR A 69 22.547 -8.963 6.720 1.00 25.00 C ATOM 1178 C THR A 69 23.076 -7.533 6.623 1.00 25.00 C ATOM 1179 O THR A 69 24.245 -7.315 6.305 1.00 25.00 O ATOM 1180 CB THR A 69 21.800 -9.303 5.401 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.247 -10.618 5.499 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.735 -9.289 4.203 1.00 25.00 C ATOM 0 H THR A 69 20.666 -9.198 7.621 1.00 25.00 H new ATOM 0 HA THR A 69 23.399 -9.626 6.871 1.00 25.00 H new ATOM 0 HB THR A 69 21.026 -8.548 5.260 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.453 -10.597 6.073 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.174 -9.532 3.301 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.179 -8.299 4.099 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.524 -10.027 4.349 1.00 25.00 H new ATOM 1190 N PHE A 70 22.214 -6.551 6.853 1.00 25.00 N ATOM 1191 CA PHE A 70 22.584 -5.152 6.632 1.00 25.00 C ATOM 1192 C PHE A 70 22.669 -4.305 7.902 1.00 25.00 C ATOM 1193 O PHE A 70 23.069 -3.136 7.849 1.00 25.00 O ATOM 1194 CB PHE A 70 21.590 -4.526 5.661 1.00 25.00 C ATOM 1195 CG PHE A 70 21.456 -5.279 4.367 1.00 25.00 C ATOM 1196 CD1 PHE A 70 22.493 -5.254 3.415 1.00 25.00 C ATOM 1197 CD2 PHE A 70 20.297 -6.028 4.093 1.00 25.00 C ATOM 1198 CE1 PHE A 70 22.376 -5.970 2.197 1.00 25.00 C ATOM 1199 CE2 PHE A 70 20.166 -6.748 2.882 1.00 25.00 C ATOM 1200 CZ PHE A 70 21.208 -6.719 1.932 1.00 25.00 C ATOM 0 H PHE A 70 21.261 -6.691 7.189 1.00 25.00 H new ATOM 0 HA PHE A 70 23.594 -5.163 6.222 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.613 -4.469 6.141 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.900 -3.503 5.446 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.388 -4.683 3.615 1.00 25.00 H new ATOM 0 HD2 PHE A 70 19.496 -6.054 4.817 1.00 25.00 H new ATOM 0 HE1 PHE A 70 23.178 -5.943 1.474 1.00 25.00 H new ATOM 0 HE2 PHE A 70 19.270 -7.318 2.686 1.00 25.00 H new ATOM 0 HZ PHE A 70 21.113 -7.267 1.006 1.00 25.00 H new ATOM 1210 N GLY A 71 22.322 -4.887 9.037 1.00 25.00 N ATOM 1211 CA GLY A 71 22.420 -4.189 10.309 1.00 25.00 C ATOM 1212 C GLY A 71 21.240 -3.288 10.644 1.00 25.00 C ATOM 1213 O GLY A 71 20.315 -3.108 9.834 1.00 25.00 O ATOM 0 H GLY A 71 21.970 -5.842 9.105 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.530 -4.927 11.103 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.328 -3.586 10.306 1.00 25.00 H new ATOM 1217 N PRO A 72 21.259 -2.655 11.836 1.00 25.00 N ATOM 1218 CA PRO A 72 20.173 -1.772 12.289 1.00 25.00 C ATOM 1219 C PRO A 72 20.098 -0.451 11.533 1.00 25.00 C ATOM 1220 O PRO A 72 19.184 0.343 11.729 1.00 25.00 O ATOM 1221 CB PRO A 72 20.524 -1.533 13.759 1.00 25.00 C ATOM 1222 CG PRO A 72 21.995 -1.610 13.792 1.00 25.00 C ATOM 1223 CD PRO A 72 22.324 -2.746 12.856 1.00 25.00 C ATOM 0 HA PRO A 72 19.195 -2.222 12.122 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.168 -0.562 14.102 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.070 -2.285 14.405 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.451 -0.677 13.462 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.362 -1.805 14.800 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.315 -2.633 12.416 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.311 -3.708 13.368 1.00 25.00 H new ATOM 1231 N GLU A 73 21.066 -0.225 10.660 1.00 25.00 N ATOM 1232 CA GLU A 73 21.107 0.974 9.836 1.00 25.00 C ATOM 1233 C GLU A 73 20.061 0.923 8.737 1.00 25.00 C ATOM 1234 O GLU A 73 19.660 1.947 8.197 1.00 25.00 O ATOM 1235 CB GLU A 73 22.473 1.077 9.166 1.00 25.00 C ATOM 1236 CG GLU A 73 23.646 1.234 10.109 1.00 25.00 C ATOM 1237 CD GLU A 73 24.969 1.221 9.355 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.947 1.028 8.111 1.00 25.00 O ATOM 1239 OE2 GLU A 73 26.024 1.347 9.999 1.00 25.00 O ATOM 0 H GLU A 73 21.844 -0.865 10.502 1.00 25.00 H new ATOM 0 HA GLU A 73 20.914 1.830 10.483 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.631 0.184 8.562 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.461 1.926 8.483 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.549 2.169 10.661 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.636 0.428 10.843 1.00 25.00 H new ATOM 1246 N LYS A 74 19.686 -0.290 8.357 1.00 25.00 N ATOM 1247 CA LYS A 74 18.818 -0.496 7.198 1.00 25.00 C ATOM 1248 C LYS A 74 17.427 -0.913 7.626 1.00 25.00 C ATOM 1249 O LYS A 74 16.446 -0.495 7.020 1.00 25.00 O ATOM 1250 CB LYS A 74 19.439 -1.549 6.289 1.00 25.00 C ATOM 1251 CG LYS A 74 20.498 -1.000 5.296 1.00 25.00 C ATOM 1252 CD LYS A 74 21.779 -0.585 6.025 1.00 25.00 C ATOM 1253 CE LYS A 74 23.043 -0.775 5.205 1.00 25.00 C ATOM 1254 NZ LYS A 74 24.230 -0.838 6.139 1.00 25.00 N ATOM 0 H LYS A 74 19.967 -1.148 8.831 1.00 25.00 H new ATOM 0 HA LYS A 74 18.724 0.444 6.654 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.904 -2.316 6.908 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.645 -2.035 5.722 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.731 -1.761 4.551 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.088 -0.144 4.760 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.698 0.463 6.312 1.00 25.00 H new ATOM 0 HD3 LYS A 74 21.865 -1.162 6.946 1.00 25.00 H new ATOM 0 HE2 LYS A 74 22.977 -1.691 4.618 1.00 25.00 H new ATOM 0 HE3 LYS A 74 23.162 0.048 4.500 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 25.104 -0.934 5.584 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 24.273 0.034 6.705 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 24.130 -1.657 6.772 1.00 25.00 H new ATOM 1268 N VAL A 75 17.324 -1.660 8.716 1.00 25.00 N ATOM 1269 CA VAL A 75 16.018 -1.921 9.308 1.00 25.00 C ATOM 1270 C VAL A 75 16.099 -1.378 10.725 1.00 25.00 C ATOM 1271 O VAL A 75 16.998 -1.745 11.475 1.00 25.00 O ATOM 1272 CB VAL A 75 15.728 -3.457 9.358 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.368 -3.754 10.013 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.765 -4.053 7.959 1.00 25.00 C ATOM 0 H VAL A 75 18.112 -2.089 9.201 1.00 25.00 H new ATOM 0 HA VAL A 75 15.222 -1.456 8.726 1.00 25.00 H new ATOM 0 HB VAL A 75 16.507 -3.916 9.966 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.200 -4.831 10.031 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.364 -3.369 11.033 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.575 -3.272 9.440 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.561 -5.122 8.014 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.010 -3.571 7.338 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.751 -3.893 7.522 1.00 25.00 H new ATOM 1284 N PRO A 76 15.111 -0.576 11.154 1.00 25.00 N ATOM 1285 CA PRO A 76 15.209 -0.135 12.544 1.00 25.00 C ATOM 1286 C PRO A 76 14.696 -1.198 13.501 1.00 25.00 C ATOM 1287 O PRO A 76 13.822 -1.984 13.157 1.00 25.00 O ATOM 1288 CB PRO A 76 14.315 1.102 12.567 1.00 25.00 C ATOM 1289 CG PRO A 76 13.265 0.819 11.555 1.00 25.00 C ATOM 1290 CD PRO A 76 13.951 0.024 10.465 1.00 25.00 C ATOM 0 HA PRO A 76 16.233 0.062 12.861 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.882 1.261 13.555 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.876 2.002 12.316 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.442 0.254 11.992 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.843 1.743 11.159 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.292 -0.739 10.049 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.262 0.662 9.638 1.00 25.00 H new ATOM 1298 N VAL A 77 15.163 -1.177 14.738 1.00 25.00 N ATOM 1299 CA VAL A 77 14.662 -2.121 15.737 1.00 25.00 C ATOM 1300 C VAL A 77 13.179 -1.858 16.035 1.00 25.00 C ATOM 1301 O VAL A 77 12.454 -2.748 16.476 1.00 25.00 O ATOM 1302 CB VAL A 77 15.497 -2.065 17.049 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.938 -2.523 16.777 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.507 -0.645 17.652 1.00 25.00 C ATOM 0 H VAL A 77 15.876 -0.531 15.076 1.00 25.00 H new ATOM 0 HA VAL A 77 14.764 -3.123 15.321 1.00 25.00 H new ATOM 0 HB VAL A 77 15.030 -2.736 17.770 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.514 -2.480 17.701 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.930 -3.546 16.402 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.394 -1.868 16.035 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.099 -0.642 18.567 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.943 0.051 16.936 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.486 -0.339 17.880 1.00 25.00 H new ATOM 1314 N THR A 78 12.704 -0.656 15.732 1.00 25.00 N ATOM 1315 CA THR A 78 11.296 -0.334 15.941 1.00 25.00 C ATOM 1316 C THR A 78 10.417 -0.976 14.881 1.00 25.00 C ATOM 1317 O THR A 78 9.228 -1.133 15.094 1.00 25.00 O ATOM 1318 CB THR A 78 11.033 1.196 15.981 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.830 1.453 16.707 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.895 1.811 14.605 1.00 25.00 C ATOM 0 H THR A 78 13.264 0.104 15.346 1.00 25.00 H new ATOM 0 HA THR A 78 11.036 -0.744 16.917 1.00 25.00 H new ATOM 0 HB THR A 78 11.899 1.648 16.465 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.090 1.585 16.078 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.713 2.881 14.701 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.813 1.649 14.040 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.060 1.346 14.081 1.00 25.00 H new ATOM 1328 N ALA A 79 10.987 -1.402 13.760 1.00 25.00 N ATOM 1329 CA ALA A 79 10.183 -2.045 12.727 1.00 25.00 C ATOM 1330 C ALA A 79 9.570 -3.325 13.281 1.00 25.00 C ATOM 1331 O ALA A 79 8.438 -3.646 12.977 1.00 25.00 O ATOM 1332 CB ALA A 79 11.025 -2.341 11.503 1.00 25.00 C ATOM 0 H ALA A 79 11.980 -1.317 13.545 1.00 25.00 H new ATOM 0 HA ALA A 79 9.382 -1.369 12.427 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.407 -2.821 10.744 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.430 -1.410 11.106 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.844 -3.006 11.777 1.00 25.00 H new ATOM 1338 N PHE A 80 10.302 -4.021 14.137 1.00 25.00 N ATOM 1339 CA PHE A 80 9.794 -5.242 14.758 1.00 25.00 C ATOM 1340 C PHE A 80 8.713 -4.930 15.793 1.00 25.00 C ATOM 1341 O PHE A 80 7.794 -5.715 16.007 1.00 25.00 O ATOM 1342 CB PHE A 80 10.942 -5.998 15.420 1.00 25.00 C ATOM 1343 CG PHE A 80 12.044 -6.359 14.466 1.00 25.00 C ATOM 1344 CD1 PHE A 80 11.945 -7.514 13.670 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.183 -5.540 14.346 1.00 25.00 C ATOM 1346 CE1 PHE A 80 12.970 -7.854 12.762 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.211 -5.861 13.432 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.104 -7.022 12.637 1.00 25.00 C ATOM 0 H PHE A 80 11.248 -3.765 14.419 1.00 25.00 H new ATOM 0 HA PHE A 80 9.348 -5.860 13.979 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.353 -5.389 16.225 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.553 -6.908 15.876 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.075 -8.148 13.755 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.272 -4.656 14.960 1.00 25.00 H new ATOM 0 HE1 PHE A 80 12.887 -8.749 12.164 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.076 -5.220 13.342 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.886 -7.273 11.936 1.00 25.00 H new ATOM 1358 N SER A 81 8.810 -3.767 16.418 1.00 25.00 N ATOM 1359 CA SER A 81 7.815 -3.335 17.404 1.00 25.00 C ATOM 1360 C SER A 81 6.529 -2.957 16.677 1.00 25.00 C ATOM 1361 O SER A 81 5.435 -3.378 17.046 1.00 25.00 O ATOM 1362 CB SER A 81 8.339 -2.136 18.200 1.00 25.00 C ATOM 1363 OG SER A 81 7.423 -1.761 19.212 1.00 25.00 O ATOM 0 H SER A 81 9.566 -3.100 16.264 1.00 25.00 H new ATOM 0 HA SER A 81 7.618 -4.150 18.101 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.301 -2.385 18.649 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.509 -1.295 17.528 1.00 25.00 H new ATOM 0 HG SER A 81 7.779 -0.995 19.708 1.00 25.00 H new ATOM 1369 N TYR A 82 6.679 -2.218 15.587 1.00 25.00 N ATOM 1370 CA TYR A 82 5.554 -1.846 14.741 1.00 25.00 C ATOM 1371 C TYR A 82 4.927 -3.089 14.149 1.00 25.00 C ATOM 1372 O TYR A 82 3.718 -3.216 14.099 1.00 25.00 O ATOM 1373 CB TYR A 82 6.031 -0.952 13.604 1.00 25.00 C ATOM 1374 CG TYR A 82 5.905 0.518 13.902 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.880 1.198 14.669 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.810 1.247 13.403 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.761 2.585 14.926 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.696 2.650 13.651 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.680 3.299 14.410 1.00 25.00 C ATOM 1380 OH TYR A 82 5.619 4.644 14.661 1.00 25.00 O ATOM 0 H TYR A 82 7.579 -1.861 15.265 1.00 25.00 H new ATOM 0 HA TYR A 82 4.823 -1.312 15.348 1.00 25.00 H new ATOM 0 HB2 TYR A 82 7.074 -1.182 13.385 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.458 -1.183 12.706 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.725 0.653 15.063 1.00 25.00 H new ATOM 0 HD2 TYR A 82 4.049 0.742 12.827 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.507 3.090 15.521 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.858 3.206 13.257 1.00 25.00 H new ATOM 0 HH TYR A 82 5.611 5.135 13.813 1.00 25.00 H new ATOM 1390 N TRP A 83 5.758 -4.023 13.719 1.00 25.00 N ATOM 1391 CA TRP A 83 5.276 -5.262 13.131 1.00 25.00 C ATOM 1392 C TRP A 83 4.424 -6.036 14.136 1.00 25.00 C ATOM 1393 O TRP A 83 3.389 -6.610 13.783 1.00 25.00 O ATOM 1394 CB TRP A 83 6.476 -6.116 12.701 1.00 25.00 C ATOM 1395 CG TRP A 83 6.107 -7.457 12.160 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.840 -7.785 10.871 1.00 25.00 C ATOM 1397 CD2 TRP A 83 5.964 -8.688 12.903 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.530 -9.105 10.743 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.588 -9.695 11.972 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.111 -9.040 14.262 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.339 -11.023 12.361 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 5.883 -10.380 14.652 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.494 -11.358 13.692 1.00 25.00 C ATOM 0 H TRP A 83 6.774 -3.947 13.766 1.00 25.00 H new ATOM 0 HA TRP A 83 4.659 -5.028 12.263 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.041 -5.574 11.943 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.138 -6.251 13.557 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.870 -7.086 10.048 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.293 -9.576 9.870 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.393 -8.297 14.993 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.034 -11.763 11.636 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.005 -10.664 15.687 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.318 -12.375 14.009 1.00 25.00 H new ATOM 1414 N ASN A 84 4.843 -6.021 15.396 1.00 25.00 N ATOM 1415 CA ASN A 84 4.113 -6.711 16.460 1.00 25.00 C ATOM 1416 C ASN A 84 2.737 -6.089 16.689 1.00 25.00 C ATOM 1417 O ASN A 84 1.797 -6.787 17.063 1.00 25.00 O ATOM 1418 CB ASN A 84 4.910 -6.694 17.766 1.00 25.00 C ATOM 1419 CG ASN A 84 5.688 -7.968 17.981 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.133 -8.989 18.357 1.00 25.00 O ATOM 1421 ND2 ASN A 84 6.965 -7.922 17.732 1.00 25.00 N ATOM 0 H ASN A 84 5.685 -5.539 15.709 1.00 25.00 H new ATOM 0 HA ASN A 84 3.975 -7.744 16.139 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.598 -5.848 17.758 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.228 -6.542 18.603 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.538 -8.758 17.849 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.393 -7.050 17.420 1.00 25.00 H new ATOM 1428 N LEU A 85 2.615 -4.793 16.426 1.00 25.00 N ATOM 1429 CA LEU A 85 1.349 -4.080 16.606 1.00 25.00 C ATOM 1430 C LEU A 85 0.304 -4.631 15.647 1.00 25.00 C ATOM 1431 O LEU A 85 -0.827 -4.871 16.028 1.00 25.00 O ATOM 1432 CB LEU A 85 1.568 -2.576 16.371 1.00 25.00 C ATOM 1433 CG LEU A 85 0.456 -1.576 16.732 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.094 -0.190 16.827 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.688 -1.523 15.703 1.00 25.00 C ATOM 0 H LEU A 85 3.379 -4.209 16.086 1.00 25.00 H new ATOM 0 HA LEU A 85 0.989 -4.225 17.625 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.459 -2.286 16.928 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.795 -2.442 15.313 1.00 25.00 H new ATOM 0 HG LEU A 85 0.012 -1.902 17.673 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.331 0.545 17.082 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.864 -0.196 17.598 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.542 0.071 15.868 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.434 -0.796 16.025 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.290 -1.228 14.732 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.151 -2.507 15.622 1.00 25.00 H new ATOM 1447 N ILE A 86 0.675 -4.865 14.399 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.281 -5.423 13.449 1.00 25.00 C ATOM 1449 C ILE A 86 -0.425 -6.917 13.711 1.00 25.00 C ATOM 1450 O ILE A 86 -1.494 -7.492 13.524 1.00 25.00 O ATOM 1451 CB ILE A 86 0.142 -5.200 11.988 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.366 -3.706 11.726 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.937 -5.727 11.029 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.816 -3.355 11.492 1.00 25.00 C ATOM 0 H ILE A 86 1.606 -4.684 14.024 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.231 -4.908 13.593 1.00 25.00 H new ATOM 0 HB ILE A 86 1.071 -5.743 11.814 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.219 -3.404 10.857 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.007 -3.135 12.576 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.621 -5.561 9.999 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -1.083 -6.794 11.196 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.874 -5.200 11.210 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.907 -2.284 11.313 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.402 -3.627 12.370 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.187 -3.901 10.624 1.00 25.00 H new ATOM 1466 N LYS A 87 0.639 -7.548 14.188 1.00 25.00 N ATOM 1467 CA LYS A 87 0.577 -8.977 14.477 1.00 25.00 C ATOM 1468 C LYS A 87 -0.522 -9.256 15.481 1.00 25.00 C ATOM 1469 O LYS A 87 -1.259 -10.194 15.289 1.00 25.00 O ATOM 1470 CB LYS A 87 1.926 -9.526 14.978 1.00 25.00 C ATOM 1471 CG LYS A 87 1.815 -10.437 16.208 1.00 25.00 C ATOM 1472 CD LYS A 87 3.115 -11.077 16.591 1.00 25.00 C ATOM 1473 CE LYS A 87 2.971 -11.782 17.947 1.00 25.00 C ATOM 1474 NZ LYS A 87 1.802 -12.753 17.993 1.00 25.00 N ATOM 0 H LYS A 87 1.538 -7.106 14.380 1.00 25.00 H new ATOM 0 HA LYS A 87 0.350 -9.494 13.545 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.402 -10.081 14.170 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.580 -8.688 15.218 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.443 -9.854 17.051 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.079 -11.216 16.009 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.415 -11.795 15.828 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.900 -10.322 16.645 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.892 -12.321 18.169 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.844 -11.032 18.728 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 1.836 -13.295 18.880 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 0.908 -12.223 17.945 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 1.861 -13.406 17.185 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.655 -8.463 16.535 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.658 -8.766 17.558 1.00 25.00 C ATOM 1490 C GLU A 88 -3.056 -8.520 17.004 1.00 25.00 C ATOM 1491 O GLU A 88 -4.004 -9.215 17.370 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.413 -7.975 18.855 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.446 -6.468 18.700 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.169 -5.735 19.996 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.872 -5.997 20.997 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.290 -4.843 20.003 1.00 25.00 O ATOM 0 H GLU A 88 -0.099 -7.625 16.707 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.570 -9.820 17.820 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -2.165 -8.267 19.588 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.443 -8.263 19.261 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.709 -6.168 17.955 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.423 -6.168 18.321 1.00 25.00 H new ATOM 1503 N LEU A 89 -3.170 -7.592 16.061 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.448 -7.332 15.412 1.00 25.00 C ATOM 1505 C LEU A 89 -4.887 -8.545 14.603 1.00 25.00 C ATOM 1506 O LEU A 89 -6.049 -8.911 14.635 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.381 -6.097 14.504 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.124 -4.724 15.156 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -4.459 -3.626 14.145 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.914 -4.503 16.454 1.00 25.00 C ATOM 0 H LEU A 89 -2.399 -7.011 15.731 1.00 25.00 H new ATOM 0 HA LEU A 89 -5.180 -7.135 16.196 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.596 -6.268 13.768 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.322 -6.035 13.957 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.071 -4.690 15.435 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.281 -2.650 14.596 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.829 -3.739 13.263 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -5.507 -3.706 13.855 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -4.684 -3.517 16.857 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -5.982 -4.570 16.246 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -4.638 -5.266 17.182 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.967 -9.180 13.891 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.318 -10.358 13.089 1.00 25.00 C ATOM 1524 C ILE A 90 -4.437 -11.605 13.975 1.00 25.00 C ATOM 1525 O ILE A 90 -5.353 -12.408 13.816 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.266 -10.663 11.979 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.038 -9.438 11.070 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.760 -11.845 11.105 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.798 -9.572 10.161 1.00 25.00 C ATOM 0 H ILE A 90 -2.984 -8.910 13.847 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.273 -10.123 12.618 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.326 -10.916 12.469 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.920 -9.287 10.448 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.930 -8.549 11.691 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.024 -12.057 10.330 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.894 -12.728 11.730 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.710 -11.582 10.641 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.697 -8.676 9.549 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.907 -9.693 10.777 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.913 -10.442 9.515 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.501 -11.764 14.901 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.427 -12.944 15.771 1.00 25.00 C ATOM 1543 C ASP A 91 -4.728 -13.096 16.547 1.00 25.00 C ATOM 1544 O ASP A 91 -5.229 -14.198 16.730 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.230 -12.790 16.731 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.810 -14.092 17.393 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.610 -14.710 18.123 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.602 -14.437 17.258 1.00 25.00 O ATOM 0 H ASP A 91 -2.766 -11.079 15.075 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.283 -13.841 15.169 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.383 -12.383 16.179 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.486 -12.065 17.504 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.312 -11.974 16.948 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.584 -11.981 17.671 1.00 25.00 C ATOM 1555 C LYS A 92 -7.680 -11.272 16.882 1.00 25.00 C ATOM 1556 O LYS A 92 -8.583 -10.665 17.465 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.393 -11.357 19.059 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.489 -12.194 19.976 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.224 -13.429 20.526 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.308 -14.655 20.603 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.271 -15.408 19.302 1.00 25.00 N ATOM 0 H LYS A 92 -4.926 -11.044 16.786 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.908 -13.014 17.796 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.965 -10.361 18.947 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.367 -11.234 19.533 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.605 -12.513 19.423 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.142 -11.578 20.805 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.615 -13.206 21.519 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.080 -13.655 19.890 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.299 -14.339 20.869 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.654 -15.318 21.397 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.565 -16.169 19.362 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.207 -15.818 19.112 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.015 -14.758 18.532 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.643 -11.392 15.558 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.691 -10.793 14.709 1.00 25.00 C ATOM 1577 C LYS A 93 -10.030 -11.465 14.992 1.00 25.00 C ATOM 1578 O LYS A 93 -11.089 -10.889 14.794 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.334 -10.880 13.216 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.384 -12.277 12.588 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.839 -12.214 11.162 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.886 -13.564 10.450 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.295 -13.961 10.102 1.00 25.00 N ATOM 0 H LYS A 93 -6.914 -11.889 15.047 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.766 -9.734 14.955 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.013 -10.231 12.663 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.330 -10.479 13.080 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.796 -12.976 13.183 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.409 -12.648 12.581 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.415 -11.486 10.590 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.809 -11.857 11.187 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.286 -13.517 9.541 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.440 -14.327 11.087 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.298 -14.472 9.196 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.677 -14.576 10.848 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.886 -13.109 10.020 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.941 -12.677 15.516 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.090 -13.500 15.889 1.00 25.00 C ATOM 1599 C GLU A 94 -12.020 -12.856 16.928 1.00 25.00 C ATOM 1600 O GLU A 94 -13.217 -13.110 16.917 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.560 -14.844 16.422 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.488 -14.694 17.528 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.861 -16.013 17.952 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.158 -17.057 17.345 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.008 -15.980 18.870 1.00 25.00 O ATOM 0 H GLU A 94 -9.046 -13.131 15.700 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.701 -13.628 14.995 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.395 -15.424 16.814 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.138 -15.413 15.593 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.703 -14.026 17.173 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.941 -14.220 18.399 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.484 -12.010 17.800 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.291 -11.351 18.842 1.00 25.00 C ATOM 1614 C VAL A 95 -12.287 -9.837 18.652 1.00 25.00 C ATOM 1615 O VAL A 95 -12.765 -9.087 19.495 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.781 -11.714 20.274 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.018 -13.204 20.563 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.284 -11.380 20.437 1.00 25.00 C ATOM 0 H VAL A 95 -10.496 -11.759 17.813 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.313 -11.716 18.743 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.344 -11.115 20.990 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.658 -13.442 21.564 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.084 -13.422 20.500 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.480 -13.807 19.831 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.960 -11.644 21.444 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.703 -11.946 19.709 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.129 -10.313 20.274 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.761 -9.394 17.522 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.702 -7.968 17.197 1.00 25.00 C ATOM 1630 C ASN A 96 -12.358 -7.730 15.838 1.00 25.00 C ATOM 1631 O ASN A 96 -11.672 -7.610 14.826 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.245 -7.498 17.165 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.693 -7.235 18.533 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.974 -6.210 19.128 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.891 -8.135 19.027 1.00 25.00 N ATOM 0 H ASN A 96 -11.364 -10.002 16.806 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.236 -7.401 17.960 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.634 -8.253 16.670 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.174 -6.589 16.568 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.472 -7.995 19.946 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.682 -8.980 18.495 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.698 -7.647 15.789 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.310 -7.533 14.458 1.00 25.00 C ATOM 1644 C PRO A 97 -13.981 -6.249 13.694 1.00 25.00 C ATOM 1645 O PRO A 97 -13.996 -6.244 12.469 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.809 -7.637 14.761 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.940 -7.138 16.157 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.725 -7.695 16.848 1.00 25.00 C ATOM 0 HA PRO A 97 -13.926 -8.302 13.788 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.397 -7.036 14.067 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.162 -8.664 14.671 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.958 -6.049 16.193 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.861 -7.487 16.623 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.442 -7.097 17.714 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.892 -8.712 17.204 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.630 -5.179 14.400 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.275 -3.926 13.737 1.00 25.00 C ATOM 1658 C GLN A 98 -12.008 -4.119 12.919 1.00 25.00 C ATOM 1659 O GLN A 98 -11.895 -3.601 11.810 1.00 25.00 O ATOM 1660 CB GLN A 98 -13.081 -2.777 14.747 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.318 -3.141 16.021 1.00 25.00 C ATOM 1662 CD GLN A 98 -12.132 -1.948 16.926 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.524 -0.966 16.547 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -12.633 -2.037 18.130 1.00 25.00 N ATOM 0 H GLN A 98 -13.583 -5.152 15.419 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.100 -3.650 13.080 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.553 -1.964 14.248 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -14.062 -2.395 15.029 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.857 -3.922 16.557 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.343 -3.551 15.756 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -13.137 -2.878 18.412 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -12.520 -1.266 18.788 1.00 25.00 H new ATOM 1673 N VAL A 99 -11.056 -4.874 13.451 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.810 -5.083 12.736 1.00 25.00 C ATOM 1675 C VAL A 99 -9.946 -6.226 11.748 1.00 25.00 C ATOM 1676 O VAL A 99 -9.302 -6.219 10.732 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.583 -5.289 13.676 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.698 -4.365 14.899 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.432 -6.748 14.108 1.00 25.00 C ATOM 0 H VAL A 99 -11.121 -5.342 14.355 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.610 -4.164 12.186 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.685 -5.029 13.116 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.837 -4.515 15.551 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.727 -3.327 14.569 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.612 -4.597 15.446 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.565 -6.846 14.762 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.328 -7.064 14.643 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.295 -7.376 13.228 1.00 25.00 H new ATOM 1689 N MET A 100 -10.827 -7.181 12.021 1.00 25.00 N ATOM 1690 CA MET A 100 -11.062 -8.301 11.108 1.00 25.00 C ATOM 1691 C MET A 100 -11.615 -7.759 9.794 1.00 25.00 C ATOM 1692 O MET A 100 -11.213 -8.177 8.715 1.00 25.00 O ATOM 1693 CB MET A 100 -12.066 -9.268 11.733 1.00 25.00 C ATOM 1694 CG MET A 100 -11.797 -10.759 11.490 1.00 25.00 C ATOM 1695 SD MET A 100 -11.413 -11.237 9.785 1.00 25.00 S ATOM 1696 CE MET A 100 -13.007 -11.027 8.955 1.00 25.00 C ATOM 0 H MET A 100 -11.394 -7.205 12.869 1.00 25.00 H new ATOM 0 HA MET A 100 -10.128 -8.831 10.922 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.089 -9.093 12.809 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.058 -9.030 11.350 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.967 -11.065 12.127 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.672 -11.322 11.815 1.00 25.00 H new ATOM 0 HE1 MET A 100 -12.906 -11.288 7.902 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.748 -11.677 9.421 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.329 -9.989 9.042 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.492 -6.771 9.892 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.019 -6.112 8.707 1.00 25.00 C ATOM 1708 C ALA A 101 -11.881 -5.417 7.952 1.00 25.00 C ATOM 1709 O ALA A 101 -11.885 -5.362 6.735 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.094 -5.098 9.111 1.00 25.00 C ATOM 0 H ALA A 101 -12.852 -6.410 10.775 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.471 -6.855 8.050 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.485 -4.608 8.220 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.904 -5.613 9.627 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.658 -4.351 9.775 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.894 -4.920 8.684 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.767 -4.227 8.081 1.00 25.00 C ATOM 1718 C ALA A 102 -8.846 -5.242 7.390 1.00 25.00 C ATOM 1719 O ALA A 102 -8.227 -4.930 6.380 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.005 -3.425 9.160 1.00 25.00 C ATOM 0 H ALA A 102 -10.852 -4.985 9.701 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.128 -3.525 7.329 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.162 -2.908 8.702 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.676 -2.695 9.612 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.639 -4.106 9.929 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.785 -6.464 7.910 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.990 -7.527 7.281 1.00 25.00 C ATOM 1728 C VAL A 103 -8.596 -7.832 5.922 1.00 25.00 C ATOM 1729 O VAL A 103 -7.892 -7.869 4.912 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.967 -8.834 8.145 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.205 -9.950 7.436 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.325 -8.559 9.508 1.00 25.00 C ATOM 0 H VAL A 103 -9.272 -6.747 8.760 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.961 -7.181 7.187 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.998 -9.156 8.289 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.206 -10.844 8.059 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.687 -10.171 6.484 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.177 -9.633 7.258 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.316 -9.476 10.097 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.303 -8.209 9.365 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.899 -7.796 10.033 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.910 -8.004 5.899 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.616 -8.298 4.662 1.00 25.00 C ATOM 1744 C ALA A 104 -10.458 -7.142 3.676 1.00 25.00 C ATOM 1745 O ALA A 104 -10.162 -7.354 2.511 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.095 -8.561 4.959 1.00 25.00 C ATOM 0 H ALA A 104 -10.508 -7.945 6.723 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.188 -9.192 4.209 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.619 -8.781 4.029 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.185 -9.411 5.636 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.535 -7.679 5.424 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.607 -5.918 4.158 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.465 -4.745 3.309 1.00 25.00 C ATOM 1754 C GLN A 105 -9.059 -4.606 2.748 1.00 25.00 C ATOM 1755 O GLN A 105 -8.901 -4.220 1.600 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.810 -3.493 4.101 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.302 -3.291 4.284 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.608 -2.139 5.207 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.820 -1.797 6.075 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.741 -1.522 5.011 1.00 25.00 N ATOM 0 H GLN A 105 -10.826 -5.711 5.132 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.150 -4.869 2.470 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.335 -3.549 5.081 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.392 -2.624 3.593 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.765 -3.111 3.314 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.745 -4.203 4.684 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.373 -1.838 4.275 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.995 -0.724 5.593 1.00 25.00 H new ATOM 1769 N THR A 106 -8.032 -4.917 3.525 1.00 25.00 N ATOM 1770 CA THR A 106 -6.677 -4.798 3.005 1.00 25.00 C ATOM 1771 C THR A 106 -6.484 -5.849 1.912 1.00 25.00 C ATOM 1772 O THR A 106 -5.913 -5.555 0.869 1.00 25.00 O ATOM 1773 CB THR A 106 -5.614 -4.953 4.106 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.919 -4.084 5.193 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.233 -4.564 3.600 1.00 25.00 C ATOM 0 H THR A 106 -8.104 -5.244 4.488 1.00 25.00 H new ATOM 0 HA THR A 106 -6.547 -3.797 2.593 1.00 25.00 H new ATOM 0 HB THR A 106 -5.617 -5.998 4.415 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.651 -4.465 5.721 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.504 -4.685 4.402 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.959 -5.204 2.761 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.245 -3.524 3.274 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.028 -7.047 2.102 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.976 -8.059 1.044 1.00 25.00 C ATOM 1785 C GLU A 107 -7.722 -7.588 -0.206 1.00 25.00 C ATOM 1786 O GLU A 107 -7.238 -7.774 -1.311 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.595 -9.387 1.485 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.748 -10.204 2.438 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.265 -11.636 2.591 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.167 -12.052 1.821 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.723 -12.368 3.448 1.00 25.00 O ATOM 0 H GLU A 107 -7.501 -7.340 2.957 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.919 -8.208 0.824 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.555 -9.183 1.960 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.799 -9.987 0.598 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.720 -10.228 2.078 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.733 -9.719 3.414 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.885 -6.971 -0.039 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.671 -6.480 -1.181 1.00 25.00 C ATOM 1800 C GLU A 108 -8.865 -5.468 -1.986 1.00 25.00 C ATOM 1801 O GLU A 108 -8.850 -5.505 -3.215 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.957 -5.786 -0.707 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.053 -6.707 -0.194 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.166 -5.919 0.498 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.770 -5.032 -0.153 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.412 -6.155 1.702 1.00 25.00 O ATOM 0 H GLU A 108 -9.310 -6.795 0.871 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.921 -7.344 -1.796 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.698 -5.083 0.085 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.358 -5.200 -1.534 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.470 -7.276 -1.025 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.627 -7.428 0.504 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.199 -4.564 -1.288 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.419 -3.510 -1.936 1.00 25.00 C ATOM 1815 C ILE A 109 -6.228 -4.119 -2.662 1.00 25.00 C ATOM 1816 O ILE A 109 -5.954 -3.764 -3.799 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.953 -2.454 -0.892 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.190 -1.730 -0.329 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.990 -1.411 -1.529 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.988 -1.084 1.022 1.00 25.00 C ATOM 0 H ILE A 109 -8.180 -4.534 -0.269 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.049 -3.002 -2.667 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.414 -2.968 -0.096 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.499 -0.963 -1.040 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.009 -2.445 -0.255 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.684 -0.689 -0.772 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.110 -1.920 -1.921 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.501 -0.892 -2.340 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.913 -0.600 1.336 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.712 -1.845 1.752 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.194 -0.341 0.955 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.553 -5.068 -2.036 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.389 -5.711 -2.653 1.00 25.00 C ATOM 1834 C LEU A 110 -4.801 -6.510 -3.887 1.00 25.00 C ATOM 1835 O LEU A 110 -4.119 -6.491 -4.908 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.703 -6.625 -1.634 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.588 -6.000 -0.772 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.857 -4.556 -0.305 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.366 -6.893 0.449 1.00 25.00 C ATOM 0 H LEU A 110 -5.784 -5.414 -1.105 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.690 -4.937 -2.969 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.467 -7.020 -0.965 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.280 -7.474 -2.171 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.705 -5.938 -1.408 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.017 -4.205 0.294 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.979 -3.909 -1.174 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.766 -4.531 0.296 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.580 -6.468 1.073 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.290 -6.959 1.024 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.070 -7.890 0.122 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.947 -7.170 -3.816 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.474 -7.916 -4.963 1.00 25.00 C ATOM 1853 C LYS A 111 -6.854 -6.954 -6.083 1.00 25.00 C ATOM 1854 O LYS A 111 -6.685 -7.263 -7.258 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.663 -8.756 -4.540 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.229 -9.932 -3.682 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.392 -10.484 -2.933 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.917 -11.443 -1.847 1.00 25.00 C ATOM 1859 NZ LYS A 111 -9.005 -11.856 -0.899 1.00 25.00 N ATOM 0 H LYS A 111 -6.533 -7.208 -2.982 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.701 -8.587 -5.337 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.368 -8.138 -3.984 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.186 -9.121 -5.424 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.792 -10.708 -4.311 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.455 -9.615 -2.983 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.963 -9.671 -2.485 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -9.061 -11.004 -3.619 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.497 -12.333 -2.316 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.113 -10.971 -1.282 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.624 -11.904 0.067 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.777 -11.160 -0.933 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.369 -12.791 -1.174 1.00 25.00 H new