USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 58 ASN : amide:sc= -2.76 K(o=-2.8,f=-7.5!) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 50 SER OG : rot -152:sc= 1.47 USER MOD Set 2.2: A 54 ASN : amide:sc= -5.48! C(o=-4!,f=-1.9!) USER MOD Set 3.1: A 14 GLN : amide:sc= -8.57! C(o=-15!,f=-16!) USER MOD Set 3.2: A 37 TYR OH : rot -106:sc= -6.67! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 10 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.16) USER MOD Single : A 17 SER OG : rot -90:sc= -4.13! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.537 K(o=-0.54,f=-2.8!) USER MOD Single : A 23 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -76:sc= 0.614 USER MOD Single : A 32 HIS : no HE2:sc= -9.8! C(o=-9.8!,f=-8.5!) USER MOD Single : A 34 THR OG1 : rot -65:sc= 0.749 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -98:sc= 0.139 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00293) USER MOD Single : A 48 GLN : amide:sc= -9.29! C(o=-9.3!,f=-6.9!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 56 SER OG : rot -76:sc= -0.394 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -140:sc= -0.391 (180deg=-1.26) USER MOD Single : A 90 GLN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00887) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.573 2.763 -7.524 1.00 0.00 N ATOM 80 CA TYR A 6 8.399 1.874 -7.672 1.00 0.00 C ATOM 81 C TYR A 6 7.286 2.611 -8.392 1.00 0.00 C ATOM 82 O TYR A 6 6.636 3.482 -7.847 1.00 0.00 O ATOM 83 CB TYR A 6 7.930 1.426 -6.301 1.00 0.00 C ATOM 84 CG TYR A 6 9.092 0.788 -5.597 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.952 1.574 -4.832 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.306 -0.589 -5.707 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.034 0.986 -4.167 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.385 -1.181 -5.043 1.00 0.00 C ATOM 89 CZ TYR A 6 11.249 -0.394 -4.270 1.00 0.00 C ATOM 90 OH TYR A 6 12.314 -0.976 -3.614 1.00 0.00 O ATOM 0 HA TYR A 6 8.676 0.998 -8.258 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.558 2.276 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.106 0.719 -6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.783 2.638 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.640 -1.194 -6.303 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.702 1.595 -3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.552 -2.245 -5.126 1.00 0.00 H new ATOM 0 HH TYR A 6 12.319 -1.940 -3.789 1.00 0.00 H new ATOM 100 N SER A 7 7.063 2.256 -9.617 1.00 0.00 N ATOM 101 CA SER A 7 5.991 2.912 -10.398 1.00 0.00 C ATOM 102 C SER A 7 4.727 2.945 -9.546 1.00 0.00 C ATOM 103 O SER A 7 4.659 2.326 -8.506 1.00 0.00 O ATOM 104 CB SER A 7 5.736 2.091 -11.656 1.00 0.00 C ATOM 105 OG SER A 7 6.500 2.623 -12.731 1.00 0.00 O ATOM 0 H SER A 7 7.582 1.533 -10.116 1.00 0.00 H new ATOM 0 HA SER A 7 6.278 3.927 -10.674 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.006 1.049 -11.484 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.675 2.108 -11.906 1.00 0.00 H new ATOM 0 HG SER A 7 6.338 2.095 -13.540 1.00 0.00 H new ATOM 111 N TYR A 8 3.726 3.662 -9.963 1.00 0.00 N ATOM 112 CA TYR A 8 2.482 3.720 -9.153 1.00 0.00 C ATOM 113 C TYR A 8 1.567 2.554 -9.533 1.00 0.00 C ATOM 114 O TYR A 8 0.418 2.496 -9.144 1.00 0.00 O ATOM 115 CB TYR A 8 1.788 5.056 -9.399 1.00 0.00 C ATOM 116 CG TYR A 8 2.689 6.163 -8.903 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.198 6.119 -7.599 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.029 7.223 -9.750 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.044 7.137 -7.142 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.873 8.242 -9.293 1.00 0.00 C ATOM 121 CZ TYR A 8 4.381 8.198 -7.989 1.00 0.00 C ATOM 122 OH TYR A 8 5.217 9.202 -7.539 1.00 0.00 O ATOM 0 H TYR A 8 3.714 4.208 -10.825 1.00 0.00 H new ATOM 0 HA TYR A 8 2.721 3.637 -8.093 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.580 5.185 -10.461 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.830 5.086 -8.880 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.938 5.299 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.640 7.255 -10.757 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.436 7.103 -6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.132 9.062 -9.946 1.00 0.00 H new ATOM 0 HH TYR A 8 5.350 9.861 -8.252 1.00 0.00 H new ATOM 132 N ALA A 9 2.085 1.611 -10.274 1.00 0.00 N ATOM 133 CA ALA A 9 1.273 0.427 -10.668 1.00 0.00 C ATOM 134 C ALA A 9 1.865 -0.808 -9.985 1.00 0.00 C ATOM 135 O ALA A 9 1.158 -1.691 -9.546 1.00 0.00 O ATOM 136 CB ALA A 9 1.326 0.249 -12.185 1.00 0.00 C ATOM 0 H ALA A 9 3.043 1.612 -10.625 1.00 0.00 H new ATOM 0 HA ALA A 9 0.235 0.565 -10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.731 -0.618 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.926 1.139 -12.670 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.359 0.099 -12.498 1.00 0.00 H new ATOM 142 N GLN A 10 3.166 -0.847 -9.870 1.00 0.00 N ATOM 143 CA GLN A 10 3.841 -1.990 -9.188 1.00 0.00 C ATOM 144 C GLN A 10 3.998 -1.613 -7.724 1.00 0.00 C ATOM 145 O GLN A 10 3.933 -2.442 -6.839 1.00 0.00 O ATOM 146 CB GLN A 10 5.219 -2.249 -9.813 1.00 0.00 C ATOM 147 CG GLN A 10 5.850 -0.927 -10.253 1.00 0.00 C ATOM 148 CD GLN A 10 7.373 -1.065 -10.268 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.015 -0.746 -11.249 1.00 0.00 O ATOM 150 NE2 GLN A 10 7.983 -1.534 -9.214 1.00 0.00 N ATOM 0 H GLN A 10 3.797 -0.128 -10.224 1.00 0.00 H new ATOM 0 HA GLN A 10 3.250 -2.900 -9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.866 -2.748 -9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.120 -2.917 -10.669 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.490 -0.653 -11.245 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.554 -0.127 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.445 -1.802 -8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.998 -1.633 -9.214 1.00 0.00 H new ATOM 159 N LEU A 11 4.179 -0.346 -7.467 1.00 0.00 N ATOM 160 CA LEU A 11 4.311 0.121 -6.068 1.00 0.00 C ATOM 161 C LEU A 11 3.087 -0.378 -5.303 1.00 0.00 C ATOM 162 O LEU A 11 3.177 -0.820 -4.174 1.00 0.00 O ATOM 163 CB LEU A 11 4.346 1.648 -6.061 1.00 0.00 C ATOM 164 CG LEU A 11 4.185 2.171 -4.637 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.555 2.535 -4.074 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.299 3.412 -4.669 1.00 0.00 C ATOM 0 H LEU A 11 4.241 0.386 -8.174 1.00 0.00 H new ATOM 0 HA LEU A 11 5.224 -0.255 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.288 2.000 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.549 2.040 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 11 3.730 1.407 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.443 2.909 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.192 1.651 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.011 3.306 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.175 3.797 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.764 4.175 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.324 3.152 -5.080 1.00 0.00 H new ATOM 178 N ILE A 12 1.943 -0.332 -5.933 1.00 0.00 N ATOM 179 CA ILE A 12 0.700 -0.832 -5.270 1.00 0.00 C ATOM 180 C ILE A 12 0.825 -2.341 -5.097 1.00 0.00 C ATOM 181 O ILE A 12 0.458 -2.898 -4.086 1.00 0.00 O ATOM 182 CB ILE A 12 -0.517 -0.550 -6.146 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.581 0.950 -6.511 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.774 -0.989 -5.393 1.00 0.00 C ATOM 185 CD1 ILE A 12 -1.752 1.647 -5.803 1.00 0.00 C ATOM 0 H ILE A 12 1.814 0.030 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 12 0.577 -0.332 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.443 -1.110 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.355 1.434 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.688 1.060 -7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.653 -0.793 -6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.714 -2.055 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.852 -0.432 -4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.770 2.701 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.689 1.177 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.629 1.558 -4.724 1.00 0.00 H new ATOM 197 N VAL A 13 1.340 -3.003 -6.090 1.00 0.00 N ATOM 198 CA VAL A 13 1.493 -4.482 -6.012 1.00 0.00 C ATOM 199 C VAL A 13 2.177 -4.860 -4.696 1.00 0.00 C ATOM 200 O VAL A 13 1.647 -5.621 -3.913 1.00 0.00 O ATOM 201 CB VAL A 13 2.357 -4.945 -7.184 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.480 -6.469 -7.169 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.711 -4.492 -8.493 1.00 0.00 C ATOM 0 H VAL A 13 1.665 -2.582 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 13 0.514 -4.959 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 13 3.352 -4.509 -7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.097 -6.792 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.941 -6.788 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.489 -6.915 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.323 -4.820 -9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.716 -4.928 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.633 -3.405 -8.503 1.00 0.00 H new ATOM 213 N GLN A 14 3.339 -4.334 -4.432 1.00 0.00 N ATOM 214 CA GLN A 14 4.019 -4.673 -3.151 1.00 0.00 C ATOM 215 C GLN A 14 3.092 -4.312 -1.993 1.00 0.00 C ATOM 216 O GLN A 14 3.116 -4.924 -0.944 1.00 0.00 O ATOM 217 CB GLN A 14 5.313 -3.867 -3.021 1.00 0.00 C ATOM 218 CG GLN A 14 6.305 -4.311 -4.094 1.00 0.00 C ATOM 219 CD GLN A 14 7.644 -3.616 -3.856 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.245 -3.097 -4.775 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.141 -3.580 -2.651 1.00 0.00 N ATOM 0 H GLN A 14 3.844 -3.690 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 14 4.253 -5.737 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.102 -2.803 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.745 -4.011 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.432 -5.393 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.923 -4.063 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.637 -4.015 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.033 -3.116 -2.481 1.00 0.00 H new ATOM 230 N ALA A 15 2.284 -3.308 -2.181 1.00 0.00 N ATOM 231 CA ALA A 15 1.353 -2.873 -1.105 1.00 0.00 C ATOM 232 C ALA A 15 0.264 -3.925 -0.881 1.00 0.00 C ATOM 233 O ALA A 15 0.297 -4.683 0.067 1.00 0.00 O ATOM 234 CB ALA A 15 0.693 -1.559 -1.521 1.00 0.00 C ATOM 0 H ALA A 15 2.228 -2.765 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 15 1.916 -2.743 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.008 -1.232 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.459 -0.799 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.140 -1.707 -2.448 1.00 0.00 H new ATOM 240 N ILE A 16 -0.715 -3.948 -1.740 1.00 0.00 N ATOM 241 CA ILE A 16 -1.837 -4.926 -1.575 1.00 0.00 C ATOM 242 C ILE A 16 -1.323 -6.360 -1.704 1.00 0.00 C ATOM 243 O ILE A 16 -1.626 -7.210 -0.890 1.00 0.00 O ATOM 244 CB ILE A 16 -2.937 -4.696 -2.627 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.472 -3.749 -3.733 1.00 0.00 C ATOM 246 CG2 ILE A 16 -4.155 -4.081 -1.956 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.621 -3.519 -4.710 1.00 0.00 C ATOM 0 H ILE A 16 -0.791 -3.334 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.257 -4.773 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.178 -5.662 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.148 -2.801 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.614 -4.173 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.936 -3.917 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.525 -4.756 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.879 -3.129 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.296 -2.844 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.924 -4.471 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.466 -3.077 -4.181 1.00 0.00 H new ATOM 259 N SER A 17 -0.564 -6.647 -2.723 1.00 0.00 N ATOM 260 CA SER A 17 -0.053 -8.037 -2.899 1.00 0.00 C ATOM 261 C SER A 17 0.667 -8.488 -1.627 1.00 0.00 C ATOM 262 O SER A 17 0.456 -9.580 -1.137 1.00 0.00 O ATOM 263 CB SER A 17 0.920 -8.077 -4.079 1.00 0.00 C ATOM 264 OG SER A 17 1.023 -9.411 -4.557 1.00 0.00 O ATOM 0 H SER A 17 -0.275 -5.982 -3.441 1.00 0.00 H new ATOM 0 HA SER A 17 -0.890 -8.707 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.572 -7.419 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.900 -7.712 -3.770 1.00 0.00 H new ATOM 0 HG SER A 17 1.748 -9.872 -4.086 1.00 0.00 H new ATOM 270 N SER A 18 1.516 -7.659 -1.087 1.00 0.00 N ATOM 271 CA SER A 18 2.251 -8.045 0.153 1.00 0.00 C ATOM 272 C SER A 18 1.352 -7.837 1.374 1.00 0.00 C ATOM 273 O SER A 18 1.649 -8.295 2.459 1.00 0.00 O ATOM 274 CB SER A 18 3.505 -7.182 0.292 1.00 0.00 C ATOM 275 OG SER A 18 4.461 -7.866 1.091 1.00 0.00 O ATOM 0 H SER A 18 1.734 -6.731 -1.449 1.00 0.00 H new ATOM 0 HA SER A 18 2.535 -9.095 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.923 -6.967 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.252 -6.224 0.747 1.00 0.00 H new ATOM 0 HG SER A 18 5.267 -7.315 1.180 1.00 0.00 H new ATOM 281 N ALA A 19 0.256 -7.146 1.209 1.00 0.00 N ATOM 282 CA ALA A 19 -0.656 -6.907 2.365 1.00 0.00 C ATOM 283 C ALA A 19 -1.142 -8.249 2.916 1.00 0.00 C ATOM 284 O ALA A 19 -0.705 -9.299 2.489 1.00 0.00 O ATOM 285 CB ALA A 19 -1.858 -6.078 1.902 1.00 0.00 C ATOM 0 H ALA A 19 -0.047 -6.737 0.325 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.121 -6.367 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.526 -5.902 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.511 -5.122 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.394 -6.618 1.122 1.00 0.00 H new ATOM 291 N GLN A 20 -2.043 -8.224 3.864 1.00 0.00 N ATOM 292 CA GLN A 20 -2.555 -9.502 4.439 1.00 0.00 C ATOM 293 C GLN A 20 -2.820 -10.489 3.302 1.00 0.00 C ATOM 294 O GLN A 20 -1.982 -11.298 2.958 1.00 0.00 O ATOM 295 CB GLN A 20 -3.856 -9.238 5.203 1.00 0.00 C ATOM 296 CG GLN A 20 -3.575 -8.312 6.385 1.00 0.00 C ATOM 297 CD GLN A 20 -2.657 -9.019 7.384 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.490 -10.222 7.329 1.00 0.00 O ATOM 299 NE2 GLN A 20 -2.051 -8.318 8.304 1.00 0.00 N ATOM 0 H GLN A 20 -2.445 -7.376 4.263 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.816 -9.919 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.594 -8.785 4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.279 -10.178 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.108 -7.391 6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.510 -8.031 6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.191 -7.309 8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.438 -8.780 8.976 1.00 0.00 H new ATOM 308 N ASP A 21 -3.978 -10.423 2.710 1.00 0.00 N ATOM 309 CA ASP A 21 -4.296 -11.345 1.588 1.00 0.00 C ATOM 310 C ASP A 21 -3.871 -10.687 0.274 1.00 0.00 C ATOM 311 O ASP A 21 -2.926 -11.102 -0.366 1.00 0.00 O ATOM 312 CB ASP A 21 -5.801 -11.612 1.567 1.00 0.00 C ATOM 313 CG ASP A 21 -6.058 -13.065 1.161 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.268 -13.594 0.397 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.042 -13.622 1.620 1.00 0.00 O ATOM 0 H ASP A 21 -4.720 -9.768 2.956 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.765 -12.288 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.229 -11.417 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.291 -10.936 0.866 1.00 0.00 H new ATOM 320 N ARG A 22 -4.563 -9.658 -0.128 1.00 0.00 N ATOM 321 CA ARG A 22 -4.204 -8.961 -1.394 1.00 0.00 C ATOM 322 C ARG A 22 -5.182 -7.808 -1.630 1.00 0.00 C ATOM 323 O ARG A 22 -5.510 -7.480 -2.753 1.00 0.00 O ATOM 324 CB ARG A 22 -4.284 -9.949 -2.561 1.00 0.00 C ATOM 325 CG ARG A 22 -5.480 -10.880 -2.363 1.00 0.00 C ATOM 326 CD ARG A 22 -5.412 -12.024 -3.378 1.00 0.00 C ATOM 327 NE ARG A 22 -5.522 -13.327 -2.663 1.00 0.00 N ATOM 328 CZ ARG A 22 -5.543 -14.442 -3.339 1.00 0.00 C ATOM 329 NH1 ARG A 22 -4.639 -14.667 -4.254 1.00 0.00 N ATOM 330 NH2 ARG A 22 -6.465 -15.333 -3.100 1.00 0.00 N ATOM 0 H ARG A 22 -5.365 -9.268 0.368 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.189 -8.569 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.383 -9.408 -3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.364 -10.530 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.479 -11.279 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.410 -10.325 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.217 -11.927 -4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.474 -11.978 -3.932 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.581 -13.347 -1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.917 -13.971 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.655 -15.539 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.170 -15.158 -2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.481 -16.205 -3.629 1.00 0.00 H new ATOM 344 N GLN A 23 -5.656 -7.194 -0.579 1.00 0.00 N ATOM 345 CA GLN A 23 -6.620 -6.069 -0.746 1.00 0.00 C ATOM 346 C GLN A 23 -6.286 -4.944 0.239 1.00 0.00 C ATOM 347 O GLN A 23 -6.134 -5.167 1.424 1.00 0.00 O ATOM 348 CB GLN A 23 -8.041 -6.576 -0.481 1.00 0.00 C ATOM 349 CG GLN A 23 -8.005 -7.688 0.570 1.00 0.00 C ATOM 350 CD GLN A 23 -9.151 -7.488 1.563 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.086 -6.761 1.291 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.117 -8.103 2.713 1.00 0.00 N ATOM 0 H GLN A 23 -5.418 -7.423 0.386 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.551 -5.684 -1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.671 -5.756 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.482 -6.950 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.093 -8.662 0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.049 -7.677 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.333 -8.713 2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.875 -7.974 3.383 1.00 0.00 H new ATOM 361 N LEU A 24 -6.175 -3.733 -0.243 1.00 0.00 N ATOM 362 CA LEU A 24 -5.855 -2.594 0.659 1.00 0.00 C ATOM 363 C LEU A 24 -6.849 -1.459 0.420 1.00 0.00 C ATOM 364 O LEU A 24 -7.458 -1.366 -0.626 1.00 0.00 O ATOM 365 CB LEU A 24 -4.449 -2.077 0.350 1.00 0.00 C ATOM 366 CG LEU A 24 -3.413 -2.938 1.073 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.028 -2.669 0.481 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.406 -2.585 2.562 1.00 0.00 C ATOM 0 H LEU A 24 -6.293 -3.486 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.912 -2.932 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.270 -2.102 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.356 -1.038 0.665 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.665 -3.991 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.287 -3.282 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.031 -2.918 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.777 -1.616 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.668 -3.199 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.153 -1.532 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.393 -2.773 2.985 1.00 0.00 H new ATOM 380 N THR A 25 -7.000 -0.579 1.371 1.00 0.00 N ATOM 381 CA THR A 25 -7.934 0.564 1.183 1.00 0.00 C ATOM 382 C THR A 25 -7.186 1.677 0.451 1.00 0.00 C ATOM 383 O THR A 25 -6.017 1.547 0.147 1.00 0.00 O ATOM 384 CB THR A 25 -8.405 1.075 2.548 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.410 1.922 3.105 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.648 -0.107 3.483 1.00 0.00 C ATOM 0 H THR A 25 -6.517 -0.603 2.269 1.00 0.00 H new ATOM 0 HA THR A 25 -8.803 0.249 0.605 1.00 0.00 H new ATOM 0 HB THR A 25 -9.332 1.634 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.711 2.251 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.983 0.260 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.412 -0.757 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.722 -0.669 3.607 1.00 0.00 H new ATOM 394 N LEU A 26 -7.833 2.772 0.169 1.00 0.00 N ATOM 395 CA LEU A 26 -7.118 3.873 -0.535 1.00 0.00 C ATOM 396 C LEU A 26 -5.948 4.327 0.337 1.00 0.00 C ATOM 397 O LEU A 26 -4.867 4.606 -0.146 1.00 0.00 O ATOM 398 CB LEU A 26 -8.066 5.054 -0.782 1.00 0.00 C ATOM 399 CG LEU A 26 -7.697 5.725 -2.107 1.00 0.00 C ATOM 400 CD1 LEU A 26 -8.884 6.546 -2.617 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.494 6.648 -1.893 1.00 0.00 C ATOM 0 H LEU A 26 -8.812 2.952 0.391 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.755 3.515 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.099 4.707 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.994 5.771 0.036 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.445 4.960 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.618 7.023 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.741 5.890 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.139 7.311 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.230 7.127 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.747 7.411 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.647 6.064 -1.533 1.00 0.00 H new ATOM 413 N SER A 27 -6.157 4.393 1.625 1.00 0.00 N ATOM 414 CA SER A 27 -5.064 4.817 2.544 1.00 0.00 C ATOM 415 C SER A 27 -4.417 3.583 3.179 1.00 0.00 C ATOM 416 O SER A 27 -3.917 3.637 4.286 1.00 0.00 O ATOM 417 CB SER A 27 -5.644 5.698 3.647 1.00 0.00 C ATOM 418 OG SER A 27 -5.856 7.009 3.139 1.00 0.00 O ATOM 0 H SER A 27 -7.042 4.170 2.081 1.00 0.00 H new ATOM 0 HA SER A 27 -4.315 5.373 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.584 5.279 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.963 5.731 4.498 1.00 0.00 H new ATOM 0 HG SER A 27 -6.230 7.577 3.845 1.00 0.00 H new ATOM 424 N GLY A 28 -4.409 2.476 2.491 1.00 0.00 N ATOM 425 CA GLY A 28 -3.778 1.251 3.061 1.00 0.00 C ATOM 426 C GLY A 28 -2.417 1.091 2.412 1.00 0.00 C ATOM 427 O GLY A 28 -1.416 0.838 3.051 1.00 0.00 O ATOM 0 H GLY A 28 -4.811 2.365 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.678 1.340 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.399 0.376 2.869 1.00 0.00 H new ATOM 431 N ILE A 29 -2.402 1.249 1.128 1.00 0.00 N ATOM 432 CA ILE A 29 -1.154 1.132 0.349 1.00 0.00 C ATOM 433 C ILE A 29 -0.106 2.089 0.900 1.00 0.00 C ATOM 434 O ILE A 29 1.081 1.853 0.818 1.00 0.00 O ATOM 435 CB ILE A 29 -1.480 1.507 -1.084 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.301 1.108 -1.986 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.765 3.013 -1.158 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.054 2.174 -3.048 1.00 0.00 C ATOM 0 H ILE A 29 -3.229 1.461 0.570 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.759 0.118 0.407 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.368 0.978 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.597 0.973 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.510 0.151 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.000 3.289 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.611 3.255 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.887 3.566 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.784 1.874 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.946 2.288 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.177 3.123 -2.564 1.00 0.00 H new ATOM 450 N TYR A 30 -0.543 3.177 1.448 1.00 0.00 N ATOM 451 CA TYR A 30 0.416 4.175 2.001 1.00 0.00 C ATOM 452 C TYR A 30 1.046 3.635 3.284 1.00 0.00 C ATOM 453 O TYR A 30 2.250 3.626 3.437 1.00 0.00 O ATOM 454 CB TYR A 30 -0.333 5.476 2.282 1.00 0.00 C ATOM 455 CG TYR A 30 -1.163 5.815 1.069 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.682 5.505 -0.207 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.415 6.418 1.215 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.448 5.798 -1.338 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.186 6.710 0.084 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.703 6.400 -1.193 1.00 0.00 C ATOM 461 OH TYR A 30 -3.464 6.689 -2.307 1.00 0.00 O ATOM 0 H TYR A 30 -1.528 3.426 1.541 1.00 0.00 H new ATOM 0 HA TYR A 30 1.212 4.364 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.970 5.366 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.370 6.280 2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.285 5.037 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.787 6.659 2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.072 5.560 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.154 7.175 0.196 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.101 7.482 -2.754 1.00 0.00 H new ATOM 471 N ALA A 31 0.250 3.177 4.204 1.00 0.00 N ATOM 472 CA ALA A 31 0.821 2.634 5.466 1.00 0.00 C ATOM 473 C ALA A 31 1.599 1.352 5.156 1.00 0.00 C ATOM 474 O ALA A 31 2.450 0.931 5.914 1.00 0.00 O ATOM 475 CB ALA A 31 -0.311 2.320 6.447 1.00 0.00 C ATOM 0 H ALA A 31 -0.768 3.154 4.139 1.00 0.00 H new ATOM 0 HA ALA A 31 1.490 3.370 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.108 1.922 7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.868 3.232 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.981 1.582 6.005 1.00 0.00 H new ATOM 481 N HIS A 32 1.307 0.726 4.047 1.00 0.00 N ATOM 482 CA HIS A 32 2.017 -0.530 3.683 1.00 0.00 C ATOM 483 C HIS A 32 3.410 -0.209 3.127 1.00 0.00 C ATOM 484 O HIS A 32 4.420 -0.560 3.703 1.00 0.00 O ATOM 485 CB HIS A 32 1.208 -1.267 2.617 1.00 0.00 C ATOM 486 CG HIS A 32 1.861 -2.587 2.334 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.249 -3.793 2.630 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.084 -2.906 1.801 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.099 -4.774 2.277 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.232 -4.289 1.765 1.00 0.00 N ATOM 0 H HIS A 32 0.603 1.034 3.376 1.00 0.00 H new ATOM 0 HA HIS A 32 2.124 -1.152 4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.184 -1.419 2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.154 -0.671 1.706 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.323 -3.915 3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.820 -2.192 1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.890 -5.827 2.394 1.00 0.00 H new ATOM 498 N ILE A 33 3.456 0.439 1.999 1.00 0.00 N ATOM 499 CA ILE A 33 4.759 0.788 1.359 1.00 0.00 C ATOM 500 C ILE A 33 5.605 1.650 2.294 1.00 0.00 C ATOM 501 O ILE A 33 6.801 1.473 2.407 1.00 0.00 O ATOM 502 CB ILE A 33 4.469 1.578 0.085 1.00 0.00 C ATOM 503 CG1 ILE A 33 5.761 1.778 -0.718 1.00 0.00 C ATOM 504 CG2 ILE A 33 3.871 2.938 0.449 1.00 0.00 C ATOM 505 CD1 ILE A 33 6.662 2.808 -0.027 1.00 0.00 C ATOM 0 H ILE A 33 2.633 0.748 1.482 1.00 0.00 H new ATOM 0 HA ILE A 33 5.308 -0.127 1.136 1.00 0.00 H new ATOM 0 HB ILE A 33 3.757 1.021 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.289 0.829 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.522 2.113 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.665 3.500 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.944 2.791 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.578 3.493 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.575 2.940 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.137 3.760 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.916 2.457 0.973 1.00 0.00 H new ATOM 517 N THR A 34 5.000 2.601 2.935 1.00 0.00 N ATOM 518 CA THR A 34 5.770 3.506 3.838 1.00 0.00 C ATOM 519 C THR A 34 6.486 2.697 4.926 1.00 0.00 C ATOM 520 O THR A 34 7.354 3.202 5.610 1.00 0.00 O ATOM 521 CB THR A 34 4.814 4.504 4.492 1.00 0.00 C ATOM 522 OG1 THR A 34 3.821 3.797 5.221 1.00 0.00 O ATOM 523 CG2 THR A 34 4.146 5.358 3.412 1.00 0.00 C ATOM 0 H THR A 34 4.001 2.796 2.876 1.00 0.00 H new ATOM 0 HA THR A 34 6.516 4.039 3.249 1.00 0.00 H new ATOM 0 HB THR A 34 5.371 5.151 5.169 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.264 3.283 4.600 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.465 6.069 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.909 5.900 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.588 4.714 2.732 1.00 0.00 H new ATOM 531 N LYS A 35 6.138 1.452 5.097 1.00 0.00 N ATOM 532 CA LYS A 35 6.810 0.632 6.144 1.00 0.00 C ATOM 533 C LYS A 35 8.084 -0.005 5.576 1.00 0.00 C ATOM 534 O LYS A 35 9.025 -0.277 6.296 1.00 0.00 O ATOM 535 CB LYS A 35 5.859 -0.468 6.622 1.00 0.00 C ATOM 536 CG LYS A 35 6.410 -1.101 7.901 1.00 0.00 C ATOM 537 CD LYS A 35 5.271 -1.775 8.671 1.00 0.00 C ATOM 538 CE LYS A 35 4.490 -0.722 9.457 1.00 0.00 C ATOM 539 NZ LYS A 35 5.187 -0.446 10.746 1.00 0.00 N ATOM 0 H LYS A 35 5.419 0.968 4.559 1.00 0.00 H new ATOM 0 HA LYS A 35 7.076 1.275 6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.869 -0.052 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.746 -1.227 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.179 -1.833 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.882 -0.339 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.607 -2.293 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.673 -2.527 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.406 0.195 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.476 -1.073 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.656 0.270 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.245 -1.322 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.146 -0.094 10.553 1.00 0.00 H new ATOM 553 N HIS A 36 8.121 -0.258 4.295 1.00 0.00 N ATOM 554 CA HIS A 36 9.332 -0.890 3.694 1.00 0.00 C ATOM 555 C HIS A 36 10.266 0.181 3.119 1.00 0.00 C ATOM 556 O HIS A 36 11.444 0.212 3.419 1.00 0.00 O ATOM 557 CB HIS A 36 8.907 -1.843 2.575 1.00 0.00 C ATOM 558 CG HIS A 36 8.364 -3.111 3.176 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.816 -4.363 2.792 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.406 -3.335 4.133 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.136 -5.277 3.508 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.264 -4.704 4.342 1.00 0.00 N ATOM 0 H HIS A 36 7.366 -0.055 3.639 1.00 0.00 H new ATOM 0 HA HIS A 36 9.862 -1.441 4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.150 -1.371 1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.758 -2.068 1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.847 -2.566 4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.278 -6.344 3.419 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.630 -5.169 4.992 1.00 0.00 H new ATOM 570 N TYR A 37 9.760 1.056 2.291 1.00 0.00 N ATOM 571 CA TYR A 37 10.636 2.112 1.701 1.00 0.00 C ATOM 572 C TYR A 37 10.848 3.229 2.729 1.00 0.00 C ATOM 573 O TYR A 37 9.898 3.720 3.306 1.00 0.00 O ATOM 574 CB TYR A 37 9.964 2.717 0.462 1.00 0.00 C ATOM 575 CG TYR A 37 9.588 1.647 -0.529 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.010 0.326 -0.346 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.806 1.986 -1.638 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.648 -0.657 -1.274 1.00 0.00 C ATOM 579 CE2 TYR A 37 8.445 1.007 -2.563 1.00 0.00 C ATOM 580 CZ TYR A 37 8.865 -0.314 -2.384 1.00 0.00 C ATOM 581 OH TYR A 37 8.505 -1.275 -3.302 1.00 0.00 O ATOM 0 H TYR A 37 8.783 1.086 1.998 1.00 0.00 H new ATOM 0 HA TYR A 37 11.590 1.664 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.073 3.269 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.639 3.432 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.614 0.065 0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.482 3.007 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.972 -1.678 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.840 1.270 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 37 9.027 -1.155 -4.123 1.00 0.00 H new ATOM 591 N PRO A 38 12.087 3.615 2.920 1.00 0.00 N ATOM 592 CA PRO A 38 12.442 4.689 3.860 1.00 0.00 C ATOM 593 C PRO A 38 12.148 6.051 3.221 1.00 0.00 C ATOM 594 O PRO A 38 12.335 7.089 3.824 1.00 0.00 O ATOM 595 CB PRO A 38 13.944 4.496 4.081 1.00 0.00 C ATOM 596 CG PRO A 38 14.467 3.711 2.856 1.00 0.00 C ATOM 597 CD PRO A 38 13.245 3.021 2.219 1.00 0.00 C ATOM 0 HA PRO A 38 11.880 4.656 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.450 5.457 4.172 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.134 3.948 5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.948 4.381 2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.213 2.976 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.198 3.205 1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.282 1.940 2.356 1.00 0.00 H new ATOM 605 N TYR A 39 11.683 6.045 2.000 1.00 0.00 N ATOM 606 CA TYR A 39 11.366 7.321 1.305 1.00 0.00 C ATOM 607 C TYR A 39 9.946 7.752 1.679 1.00 0.00 C ATOM 608 O TYR A 39 9.714 8.861 2.118 1.00 0.00 O ATOM 609 CB TYR A 39 11.453 7.094 -0.208 1.00 0.00 C ATOM 610 CG TYR A 39 11.694 8.405 -0.924 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.421 9.622 -0.288 1.00 0.00 C ATOM 612 CD2 TYR A 39 12.188 8.395 -2.233 1.00 0.00 C ATOM 613 CE1 TYR A 39 11.643 10.828 -0.962 1.00 0.00 C ATOM 614 CE2 TYR A 39 12.409 9.601 -2.907 1.00 0.00 C ATOM 615 CZ TYR A 39 12.138 10.817 -2.272 1.00 0.00 C ATOM 616 OH TYR A 39 12.356 12.006 -2.937 1.00 0.00 O ATOM 0 H TYR A 39 11.509 5.202 1.452 1.00 0.00 H new ATOM 0 HA TYR A 39 12.071 8.098 1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.260 6.396 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.530 6.640 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.039 9.630 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.399 7.456 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.433 11.767 -0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.789 9.593 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 39 12.701 11.820 -3.835 1.00 0.00 H new ATOM 626 N TYR A 40 8.990 6.879 1.512 1.00 0.00 N ATOM 627 CA TYR A 40 7.586 7.232 1.858 1.00 0.00 C ATOM 628 C TYR A 40 7.373 7.061 3.364 1.00 0.00 C ATOM 629 O TYR A 40 6.965 6.014 3.831 1.00 0.00 O ATOM 630 CB TYR A 40 6.627 6.316 1.092 1.00 0.00 C ATOM 631 CG TYR A 40 6.551 6.724 -0.368 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.035 7.972 -0.794 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.977 5.847 -1.299 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.944 8.336 -2.143 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.890 6.214 -2.648 1.00 0.00 C ATOM 636 CZ TYR A 40 6.372 7.458 -3.068 1.00 0.00 C ATOM 637 OH TYR A 40 6.280 7.821 -4.396 1.00 0.00 O ATOM 0 H TYR A 40 9.122 5.935 1.150 1.00 0.00 H new ATOM 0 HA TYR A 40 7.391 8.269 1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.963 5.282 1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.635 6.363 1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.478 8.651 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.601 4.887 -0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.316 9.296 -2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.450 5.536 -3.364 1.00 0.00 H new ATOM 0 HH TYR A 40 5.379 8.158 -4.581 1.00 0.00 H new ATOM 647 N ARG A 41 7.640 8.087 4.124 1.00 0.00 N ATOM 648 CA ARG A 41 7.449 8.004 5.599 1.00 0.00 C ATOM 649 C ARG A 41 6.739 9.270 6.077 1.00 0.00 C ATOM 650 O ARG A 41 5.569 9.253 6.403 1.00 0.00 O ATOM 651 CB ARG A 41 8.813 7.898 6.287 1.00 0.00 C ATOM 652 CG ARG A 41 9.371 6.486 6.102 1.00 0.00 C ATOM 653 CD ARG A 41 10.069 6.041 7.388 1.00 0.00 C ATOM 654 NE ARG A 41 9.598 4.679 7.763 1.00 0.00 N ATOM 655 CZ ARG A 41 8.760 4.528 8.751 1.00 0.00 C ATOM 656 NH1 ARG A 41 7.481 4.690 8.554 1.00 0.00 N ATOM 657 NH2 ARG A 41 9.203 4.216 9.938 1.00 0.00 N ATOM 0 H ARG A 41 7.984 8.985 3.784 1.00 0.00 H new ATOM 0 HA ARG A 41 6.852 7.126 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.502 8.630 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.715 8.125 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.565 5.795 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.074 6.467 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.150 6.037 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.856 6.745 8.192 1.00 0.00 H new ATOM 0 HE ARG A 41 9.931 3.864 7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.135 4.935 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.827 4.572 9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.203 4.091 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.549 4.098 10.712 1.00 0.00 H new ATOM 671 N THR A 42 7.438 10.371 6.105 1.00 0.00 N ATOM 672 CA THR A 42 6.808 11.645 6.545 1.00 0.00 C ATOM 673 C THR A 42 6.513 12.509 5.316 1.00 0.00 C ATOM 674 O THR A 42 6.101 13.647 5.428 1.00 0.00 O ATOM 675 CB THR A 42 7.762 12.392 7.480 1.00 0.00 C ATOM 676 OG1 THR A 42 9.097 12.220 7.026 1.00 0.00 O ATOM 677 CG2 THR A 42 7.629 11.836 8.899 1.00 0.00 C ATOM 0 H THR A 42 8.421 10.442 5.841 1.00 0.00 H new ATOM 0 HA THR A 42 5.880 11.432 7.075 1.00 0.00 H new ATOM 0 HB THR A 42 7.512 13.453 7.483 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.710 12.699 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.309 12.369 9.564 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.604 11.967 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.879 10.775 8.899 1.00 0.00 H new ATOM 685 N ALA A 43 6.718 11.974 4.141 1.00 0.00 N ATOM 686 CA ALA A 43 6.448 12.759 2.905 1.00 0.00 C ATOM 687 C ALA A 43 5.460 11.989 2.025 1.00 0.00 C ATOM 688 O ALA A 43 5.499 10.777 1.948 1.00 0.00 O ATOM 689 CB ALA A 43 7.755 12.970 2.137 1.00 0.00 C ATOM 0 H ALA A 43 7.061 11.026 3.986 1.00 0.00 H new ATOM 0 HA ALA A 43 6.025 13.727 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.557 13.545 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.462 13.513 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.178 12.003 1.867 1.00 0.00 H new ATOM 695 N ASP A 44 4.576 12.680 1.360 1.00 0.00 N ATOM 696 CA ASP A 44 3.591 11.983 0.488 1.00 0.00 C ATOM 697 C ASP A 44 2.703 13.018 -0.203 1.00 0.00 C ATOM 698 O ASP A 44 1.546 12.773 -0.481 1.00 0.00 O ATOM 699 CB ASP A 44 2.723 11.054 1.338 1.00 0.00 C ATOM 700 CG ASP A 44 2.047 11.862 2.448 1.00 0.00 C ATOM 701 OD1 ASP A 44 1.334 12.797 2.122 1.00 0.00 O ATOM 702 OD2 ASP A 44 2.252 11.531 3.603 1.00 0.00 O ATOM 0 H ASP A 44 4.494 13.696 1.383 1.00 0.00 H new ATOM 0 HA ASP A 44 4.121 11.397 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.970 10.571 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.334 10.262 1.771 1.00 0.00 H new ATOM 707 N LYS A 45 3.236 14.174 -0.481 1.00 0.00 N ATOM 708 CA LYS A 45 2.425 15.226 -1.152 1.00 0.00 C ATOM 709 C LYS A 45 2.572 15.093 -2.668 1.00 0.00 C ATOM 710 O LYS A 45 3.091 15.971 -3.329 1.00 0.00 O ATOM 711 CB LYS A 45 2.916 16.605 -0.706 1.00 0.00 C ATOM 712 CG LYS A 45 1.825 17.648 -0.957 1.00 0.00 C ATOM 713 CD LYS A 45 1.918 18.747 0.105 1.00 0.00 C ATOM 714 CE LYS A 45 1.342 20.050 -0.452 1.00 0.00 C ATOM 715 NZ LYS A 45 2.367 20.725 -1.298 1.00 0.00 N ATOM 0 H LYS A 45 4.199 14.436 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 45 1.376 15.109 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.176 16.584 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.821 16.873 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.940 18.078 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.842 17.178 -0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.371 18.449 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.957 18.894 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.448 19.843 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.040 20.705 0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.988 21.627 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.221 20.905 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.609 20.114 -2.104 1.00 0.00 H new ATOM 729 N GLY A 46 2.122 14.003 -3.229 1.00 0.00 N ATOM 730 CA GLY A 46 2.242 13.826 -4.704 1.00 0.00 C ATOM 731 C GLY A 46 1.636 12.483 -5.119 1.00 0.00 C ATOM 732 O GLY A 46 0.512 12.414 -5.577 1.00 0.00 O ATOM 0 H GLY A 46 1.678 13.231 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.732 14.640 -5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.290 13.869 -5.000 1.00 0.00 H new ATOM 736 N TRP A 47 2.374 11.415 -4.974 1.00 0.00 N ATOM 737 CA TRP A 47 1.841 10.081 -5.376 1.00 0.00 C ATOM 738 C TRP A 47 0.576 9.752 -4.581 1.00 0.00 C ATOM 739 O TRP A 47 -0.131 8.817 -4.895 1.00 0.00 O ATOM 740 CB TRP A 47 2.890 8.996 -5.125 1.00 0.00 C ATOM 741 CG TRP A 47 3.085 8.797 -3.657 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.605 9.716 -2.812 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.784 7.620 -2.848 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.650 9.181 -1.540 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.159 7.892 -1.508 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.232 6.355 -3.138 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.997 6.947 -0.497 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.069 5.403 -2.119 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.454 5.699 -0.802 1.00 0.00 C ATOM 0 H TRP A 47 3.321 11.408 -4.595 1.00 0.00 H new ATOM 0 HA TRP A 47 1.600 10.114 -6.439 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.574 8.061 -5.587 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.835 9.279 -5.590 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.932 10.708 -3.088 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.003 9.679 -0.723 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.933 6.118 -4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.290 7.179 0.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.645 4.437 -2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.330 4.960 -0.024 1.00 0.00 H new ATOM 760 N GLN A 48 0.279 10.500 -3.556 1.00 0.00 N ATOM 761 CA GLN A 48 -0.946 10.203 -2.766 1.00 0.00 C ATOM 762 C GLN A 48 -2.129 10.033 -3.726 1.00 0.00 C ATOM 763 O GLN A 48 -2.710 8.971 -3.826 1.00 0.00 O ATOM 764 CB GLN A 48 -1.225 11.355 -1.798 1.00 0.00 C ATOM 765 CG GLN A 48 -1.928 10.821 -0.549 1.00 0.00 C ATOM 766 CD GLN A 48 -1.105 9.683 0.057 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.625 8.862 0.787 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.169 9.596 -0.219 1.00 0.00 N ATOM 0 H GLN A 48 0.827 11.298 -3.233 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.804 9.286 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.291 11.844 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.847 12.108 -2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.053 11.621 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.926 10.465 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.606 10.284 -0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.726 8.840 0.178 1.00 0.00 H new ATOM 777 N ASN A 49 -2.483 11.069 -4.437 1.00 0.00 N ATOM 778 CA ASN A 49 -3.619 10.968 -5.399 1.00 0.00 C ATOM 779 C ASN A 49 -3.192 10.129 -6.607 1.00 0.00 C ATOM 780 O ASN A 49 -3.998 9.769 -7.441 1.00 0.00 O ATOM 781 CB ASN A 49 -4.010 12.371 -5.869 1.00 0.00 C ATOM 782 CG ASN A 49 -5.472 12.641 -5.513 1.00 0.00 C ATOM 783 OD1 ASN A 49 -5.851 12.577 -4.361 1.00 0.00 O ATOM 784 ND2 ASN A 49 -6.315 12.942 -6.463 1.00 0.00 N ATOM 0 H ASN A 49 -2.034 11.984 -4.393 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.470 10.494 -4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.367 13.115 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.865 12.459 -6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.293 13.124 -6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.996 12.995 -7.430 1.00 0.00 H new ATOM 791 N SER A 50 -1.928 9.826 -6.709 1.00 0.00 N ATOM 792 CA SER A 50 -1.436 9.022 -7.864 1.00 0.00 C ATOM 793 C SER A 50 -1.898 7.568 -7.734 1.00 0.00 C ATOM 794 O SER A 50 -2.302 6.954 -8.696 1.00 0.00 O ATOM 795 CB SER A 50 0.091 9.057 -7.889 1.00 0.00 C ATOM 796 OG SER A 50 0.563 8.191 -8.912 1.00 0.00 O ATOM 0 H SER A 50 -1.210 10.102 -6.039 1.00 0.00 H new ATOM 0 HA SER A 50 -1.838 9.445 -8.785 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.440 10.074 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.489 8.748 -6.923 1.00 0.00 H new ATOM 0 HG SER A 50 1.456 7.862 -8.676 1.00 0.00 H new ATOM 802 N ILE A 51 -1.824 7.009 -6.559 1.00 0.00 N ATOM 803 CA ILE A 51 -2.245 5.590 -6.373 1.00 0.00 C ATOM 804 C ILE A 51 -3.741 5.451 -6.690 1.00 0.00 C ATOM 805 O ILE A 51 -4.145 4.599 -7.454 1.00 0.00 O ATOM 806 CB ILE A 51 -1.954 5.173 -4.914 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.556 4.540 -4.807 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.990 4.154 -4.425 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.414 5.192 -5.796 1.00 0.00 C ATOM 0 H ILE A 51 -1.489 7.474 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.690 4.939 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.004 6.069 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.177 4.653 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.620 3.470 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.767 3.874 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.985 4.595 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.955 3.267 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.396 4.728 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.044 5.056 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.494 6.257 -5.579 1.00 0.00 H new ATOM 821 N ARG A 52 -4.561 6.268 -6.094 1.00 0.00 N ATOM 822 CA ARG A 52 -6.030 6.174 -6.342 1.00 0.00 C ATOM 823 C ARG A 52 -6.329 6.209 -7.846 1.00 0.00 C ATOM 824 O ARG A 52 -7.035 5.367 -8.364 1.00 0.00 O ATOM 825 CB ARG A 52 -6.729 7.353 -5.663 1.00 0.00 C ATOM 826 CG ARG A 52 -8.213 7.352 -6.028 1.00 0.00 C ATOM 827 CD ARG A 52 -8.845 8.675 -5.591 1.00 0.00 C ATOM 828 NE ARG A 52 -10.133 8.874 -6.312 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.209 9.741 -7.284 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.325 11.013 -7.016 1.00 0.00 N ATOM 831 NH2 ARG A 52 -10.170 9.335 -8.524 1.00 0.00 N ATOM 0 H ARG A 52 -4.279 7.001 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.395 5.231 -5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.611 7.285 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.268 8.290 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.334 7.216 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.718 6.517 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.016 8.670 -4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.166 9.501 -5.802 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.955 8.333 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.356 11.329 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.384 11.691 -7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.080 8.341 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.229 10.012 -9.284 1.00 0.00 H new ATOM 845 N HIS A 53 -5.820 7.186 -8.543 1.00 0.00 N ATOM 846 CA HIS A 53 -6.101 7.289 -10.006 1.00 0.00 C ATOM 847 C HIS A 53 -5.315 6.231 -10.792 1.00 0.00 C ATOM 848 O HIS A 53 -5.667 5.886 -11.901 1.00 0.00 O ATOM 849 CB HIS A 53 -5.701 8.683 -10.491 1.00 0.00 C ATOM 850 CG HIS A 53 -6.432 8.999 -11.768 1.00 0.00 C ATOM 851 ND1 HIS A 53 -7.786 9.295 -11.791 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.011 9.066 -13.073 1.00 0.00 C ATOM 853 CE1 HIS A 53 -8.128 9.524 -13.072 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.083 9.397 -13.895 1.00 0.00 N ATOM 0 H HIS A 53 -5.221 7.919 -8.164 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.165 7.120 -10.172 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.938 9.426 -9.730 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.624 8.728 -10.655 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.000 8.889 -13.410 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.126 9.779 -13.396 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.074 9.517 -14.908 1.00 0.00 H new ATOM 862 N ASN A 54 -4.252 5.718 -10.239 1.00 0.00 N ATOM 863 CA ASN A 54 -3.456 4.691 -10.974 1.00 0.00 C ATOM 864 C ASN A 54 -4.217 3.365 -11.009 1.00 0.00 C ATOM 865 O ASN A 54 -4.217 2.661 -11.998 1.00 0.00 O ATOM 866 CB ASN A 54 -2.111 4.487 -10.276 1.00 0.00 C ATOM 867 CG ASN A 54 -1.015 5.173 -11.095 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.772 4.810 -12.228 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.338 6.157 -10.567 1.00 0.00 N ATOM 0 H ASN A 54 -3.899 5.963 -9.314 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.289 5.036 -11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.143 4.902 -9.268 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.896 3.423 -10.176 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.394 6.620 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.541 6.463 -9.615 1.00 0.00 H new ATOM 876 N LEU A 55 -4.850 3.018 -9.927 1.00 0.00 N ATOM 877 CA LEU A 55 -5.599 1.733 -9.868 1.00 0.00 C ATOM 878 C LEU A 55 -6.791 1.769 -10.824 1.00 0.00 C ATOM 879 O LEU A 55 -7.445 0.769 -11.050 1.00 0.00 O ATOM 880 CB LEU A 55 -6.066 1.510 -8.431 1.00 0.00 C ATOM 881 CG LEU A 55 -4.845 1.591 -7.513 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.279 1.552 -6.048 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.926 0.405 -7.806 1.00 0.00 C ATOM 0 H LEU A 55 -4.882 3.574 -9.072 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.952 0.911 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.803 2.262 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.550 0.538 -8.335 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.318 2.527 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.400 1.610 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.936 2.396 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.811 0.621 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.052 0.453 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.463 -0.526 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.607 0.441 -8.848 1.00 0.00 H new ATOM 895 N SER A 56 -7.069 2.899 -11.405 1.00 0.00 N ATOM 896 CA SER A 56 -8.206 2.977 -12.363 1.00 0.00 C ATOM 897 C SER A 56 -7.689 2.623 -13.759 1.00 0.00 C ATOM 898 O SER A 56 -8.421 2.151 -14.607 1.00 0.00 O ATOM 899 CB SER A 56 -8.781 4.392 -12.369 1.00 0.00 C ATOM 900 OG SER A 56 -7.759 5.313 -12.724 1.00 0.00 O ATOM 0 H SER A 56 -6.560 3.771 -11.260 1.00 0.00 H new ATOM 0 HA SER A 56 -8.991 2.281 -12.068 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.608 4.458 -13.076 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.183 4.638 -11.386 1.00 0.00 H new ATOM 0 HG SER A 56 -7.158 5.445 -11.961 1.00 0.00 H new ATOM 906 N LEU A 57 -6.424 2.847 -13.998 1.00 0.00 N ATOM 907 CA LEU A 57 -5.839 2.523 -15.331 1.00 0.00 C ATOM 908 C LEU A 57 -5.300 1.089 -15.318 1.00 0.00 C ATOM 909 O LEU A 57 -5.647 0.276 -16.151 1.00 0.00 O ATOM 910 CB LEU A 57 -4.692 3.492 -15.631 1.00 0.00 C ATOM 911 CG LEU A 57 -5.246 4.909 -15.789 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.120 5.660 -14.461 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.447 5.648 -16.866 1.00 0.00 C ATOM 0 H LEU A 57 -5.768 3.242 -13.324 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.608 2.616 -16.098 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.959 3.465 -14.825 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.175 3.189 -16.542 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.295 4.858 -16.079 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.515 6.669 -14.575 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.684 5.134 -13.691 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.071 5.712 -14.170 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.839 6.658 -16.981 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.399 5.697 -16.572 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.533 5.115 -17.813 1.00 0.00 H new ATOM 925 N ASN A 58 -4.447 0.778 -14.379 1.00 0.00 N ATOM 926 CA ASN A 58 -3.871 -0.597 -14.307 1.00 0.00 C ATOM 927 C ASN A 58 -4.980 -1.639 -14.477 1.00 0.00 C ATOM 928 O ASN A 58 -6.098 -1.451 -14.038 1.00 0.00 O ATOM 929 CB ASN A 58 -3.191 -0.790 -12.952 1.00 0.00 C ATOM 930 CG ASN A 58 -1.999 0.163 -12.844 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.030 0.027 -13.563 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.032 1.130 -11.968 1.00 0.00 N ATOM 0 H ASN A 58 -4.123 1.420 -13.655 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.140 -0.723 -15.106 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.899 -0.598 -12.146 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.857 -1.822 -12.843 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.244 1.772 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.846 1.244 -11.364 1.00 0.00 H new ATOM 939 N ARG A 59 -4.679 -2.732 -15.125 1.00 0.00 N ATOM 940 CA ARG A 59 -5.710 -3.784 -15.340 1.00 0.00 C ATOM 941 C ARG A 59 -5.693 -4.809 -14.200 1.00 0.00 C ATOM 942 O ARG A 59 -6.556 -5.660 -14.120 1.00 0.00 O ATOM 943 CB ARG A 59 -5.427 -4.500 -16.661 1.00 0.00 C ATOM 944 CG ARG A 59 -3.966 -4.954 -16.689 1.00 0.00 C ATOM 945 CD ARG A 59 -3.219 -4.202 -17.789 1.00 0.00 C ATOM 946 NE ARG A 59 -3.359 -4.941 -19.076 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.444 -4.807 -19.789 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.571 -3.790 -20.596 1.00 0.00 N ATOM 949 NH2 ARG A 59 -5.400 -5.690 -19.695 1.00 0.00 N ATOM 0 H ARG A 59 -3.760 -2.941 -15.515 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.691 -3.309 -15.367 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.089 -5.359 -16.771 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.628 -3.833 -17.499 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.497 -4.766 -15.723 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.911 -6.028 -16.867 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.618 -3.193 -17.891 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.166 -4.103 -17.526 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.608 -5.551 -19.399 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.823 -3.101 -20.669 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.418 -3.684 -21.154 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.300 -6.485 -19.064 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.248 -5.585 -20.252 1.00 0.00 H new ATOM 963 N TYR A 60 -4.729 -4.753 -13.317 1.00 0.00 N ATOM 964 CA TYR A 60 -4.709 -5.757 -12.210 1.00 0.00 C ATOM 965 C TYR A 60 -5.396 -5.186 -10.972 1.00 0.00 C ATOM 966 O TYR A 60 -6.021 -5.898 -10.219 1.00 0.00 O ATOM 967 CB TYR A 60 -3.274 -6.167 -11.835 1.00 0.00 C ATOM 968 CG TYR A 60 -2.252 -5.256 -12.465 1.00 0.00 C ATOM 969 CD1 TYR A 60 -2.099 -5.245 -13.851 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.439 -4.444 -11.661 1.00 0.00 C ATOM 971 CE1 TYR A 60 -1.140 -4.420 -14.444 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.476 -3.621 -12.254 1.00 0.00 C ATOM 973 CZ TYR A 60 -0.326 -3.608 -13.646 1.00 0.00 C ATOM 974 OH TYR A 60 0.625 -2.799 -14.231 1.00 0.00 O ATOM 0 H TYR A 60 -3.970 -4.072 -13.312 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.240 -6.640 -12.566 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.161 -6.146 -10.751 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.093 -7.193 -12.155 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.723 -5.875 -14.467 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.556 -4.454 -10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.027 -4.409 -15.518 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.152 -2.995 -11.638 1.00 0.00 H new ATOM 0 HH TYR A 60 0.323 -2.532 -15.124 1.00 0.00 H new ATOM 984 N PHE A 61 -5.287 -3.916 -10.737 1.00 0.00 N ATOM 985 CA PHE A 61 -5.933 -3.356 -9.523 1.00 0.00 C ATOM 986 C PHE A 61 -7.427 -3.202 -9.758 1.00 0.00 C ATOM 987 O PHE A 61 -7.904 -2.230 -10.308 1.00 0.00 O ATOM 988 CB PHE A 61 -5.284 -2.024 -9.182 1.00 0.00 C ATOM 989 CG PHE A 61 -3.842 -2.311 -8.869 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.493 -2.854 -7.632 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.862 -2.069 -9.830 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.160 -3.153 -7.354 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.530 -2.362 -9.554 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.174 -2.905 -8.316 1.00 0.00 C ATOM 0 H PHE A 61 -4.786 -3.247 -11.322 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.797 -4.033 -8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.367 -1.328 -10.017 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.780 -1.559 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.255 -3.043 -6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.136 -1.654 -10.789 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.889 -3.575 -6.398 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.770 -2.170 -10.297 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.140 -3.133 -8.102 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.156 -4.193 -9.338 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.637 -4.188 -9.510 1.00 0.00 C ATOM 1006 C ILE A 62 -10.297 -3.542 -8.284 1.00 0.00 C ATOM 1007 O ILE A 62 -9.640 -2.945 -7.455 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.126 -5.639 -9.669 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.288 -6.296 -8.293 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.105 -6.437 -10.481 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.722 -7.753 -8.468 1.00 0.00 C ATOM 0 H ILE A 62 -7.784 -5.022 -8.874 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.906 -3.614 -10.397 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.088 -5.631 -10.182 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.348 -6.250 -7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.028 -5.754 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.452 -7.464 -10.593 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.989 -5.984 -11.465 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.145 -6.433 -9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.837 -8.219 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.673 -7.788 -9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -9.966 -8.292 -9.040 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.592 -3.664 -8.163 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.297 -3.067 -6.993 1.00 0.00 C ATOM 1025 C LYS A 63 -12.852 -4.188 -6.111 1.00 0.00 C ATOM 1026 O LYS A 63 -13.430 -5.142 -6.594 1.00 0.00 O ATOM 1027 CB LYS A 63 -13.446 -2.189 -7.490 1.00 0.00 C ATOM 1028 CG LYS A 63 -13.044 -0.717 -7.390 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.705 -0.185 -8.784 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.709 0.902 -9.171 1.00 0.00 C ATOM 1031 NZ LYS A 63 -14.554 0.419 -10.299 1.00 0.00 N ATOM 0 H LYS A 63 -12.193 -4.153 -8.826 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.601 -2.460 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.690 -2.441 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.342 -2.373 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.857 -0.136 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.185 -0.608 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.693 0.219 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.732 -0.996 -9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.335 1.155 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.183 1.812 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.237 1.158 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.949 0.199 -11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.066 -0.438 -10.007 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.681 -4.084 -4.821 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.196 -5.147 -3.914 1.00 0.00 C ATOM 1047 C VAL A 64 -14.731 -5.079 -3.848 1.00 0.00 C ATOM 1048 O VAL A 64 -15.404 -6.064 -4.074 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.563 -4.977 -2.516 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.599 -5.188 -1.405 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -11.441 -6.003 -2.351 1.00 0.00 C ATOM 0 H VAL A 64 -12.207 -3.309 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.922 -6.130 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.174 -3.962 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.121 -5.061 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.402 -4.458 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.011 -6.194 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.987 -5.891 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.850 -7.009 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.685 -5.842 -3.119 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.783 -0.223 -1.027 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.601 -1.077 -0.726 1.00 0.00 C ATOM 1220 C PHE A 76 -10.915 -1.467 -2.038 1.00 0.00 C ATOM 1221 O PHE A 76 -11.512 -2.064 -2.909 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.055 -2.339 0.012 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.073 -2.658 1.116 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.826 -3.213 0.804 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.409 -2.400 2.451 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.916 -3.511 1.825 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.498 -2.697 3.472 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.252 -3.253 3.159 1.00 0.00 C ATOM 0 HA PHE A 76 -10.901 -0.526 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.051 -2.191 0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.121 -3.176 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.566 -3.411 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.371 -1.972 2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.955 -3.940 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.757 -2.497 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.550 -3.483 3.947 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.668 -1.119 -2.188 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.945 -1.456 -3.446 1.00 0.00 C ATOM 1240 C TRP A 77 -8.422 -2.894 -3.382 1.00 0.00 C ATOM 1241 O TRP A 77 -8.235 -3.451 -2.318 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.767 -0.501 -3.614 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.158 0.638 -4.498 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.308 1.920 -4.093 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.445 0.623 -5.925 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -8.659 2.694 -5.184 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -8.754 1.940 -6.336 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.458 -0.395 -6.892 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.066 2.237 -7.660 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.772 -0.099 -8.227 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.073 1.214 -8.610 1.00 0.00 C ATOM 0 H TRP A 77 -9.117 -0.615 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.628 -1.362 -4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.450 -0.125 -2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.917 -1.031 -4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.175 2.280 -3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -8.827 3.699 -5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.225 -1.410 -6.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.301 3.251 -7.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.782 -0.889 -8.964 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.310 1.435 -9.640 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.183 -3.498 -4.517 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.670 -4.899 -4.527 1.00 0.00 C ATOM 1264 C ARG A 78 -7.028 -5.203 -5.885 1.00 0.00 C ATOM 1265 O ARG A 78 -7.343 -4.586 -6.881 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.835 -5.863 -4.293 1.00 0.00 C ATOM 1267 CG ARG A 78 -8.293 -7.269 -4.032 1.00 0.00 C ATOM 1268 CD ARG A 78 -8.637 -8.176 -5.213 1.00 0.00 C ATOM 1269 NE ARG A 78 -9.907 -8.901 -4.931 1.00 0.00 N ATOM 1270 CZ ARG A 78 -9.896 -9.965 -4.176 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -9.383 -11.079 -4.625 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -10.395 -9.916 -2.971 1.00 0.00 N ATOM 0 H ARG A 78 -8.321 -3.081 -5.437 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.926 -5.019 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.432 -5.529 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.493 -5.872 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.213 -7.233 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.722 -7.671 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.739 -7.584 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.830 -8.888 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.785 -8.566 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.991 -11.117 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.374 -11.911 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.794 -9.046 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.386 -10.748 -2.381 1.00 0.00 H new ATOM 1286 N ILE A 79 -6.142 -6.163 -5.934 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.495 -6.519 -7.233 1.00 0.00 C ATOM 1288 C ILE A 79 -5.895 -7.949 -7.607 1.00 0.00 C ATOM 1289 O ILE A 79 -6.307 -8.723 -6.768 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.973 -6.397 -7.112 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.334 -6.675 -8.470 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.441 -7.391 -6.087 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.173 -5.703 -8.693 1.00 0.00 C ATOM 0 H ILE A 79 -5.838 -6.716 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.827 -5.835 -8.014 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.724 -5.388 -6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.975 -7.703 -8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.074 -6.563 -9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.358 -7.292 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.892 -7.188 -5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.692 -8.405 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.715 -5.900 -9.662 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.546 -4.679 -8.669 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.430 -5.837 -7.907 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.803 -8.302 -8.861 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.208 -9.672 -9.278 1.00 0.00 C ATOM 1307 C ASP A 80 -5.255 -10.705 -8.669 1.00 0.00 C ATOM 1308 O ASP A 80 -4.066 -10.472 -8.576 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.170 -9.769 -10.804 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.453 -10.434 -11.309 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.388 -10.541 -10.533 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.478 -10.824 -12.465 1.00 0.00 O ATOM 0 H ASP A 80 -5.465 -7.701 -9.612 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.220 -9.873 -8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.068 -8.775 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.301 -10.346 -11.120 1.00 0.00 H new ATOM 1317 N PRO A 81 -5.813 -11.821 -8.267 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.046 -12.918 -7.654 1.00 0.00 C ATOM 1319 C PRO A 81 -4.339 -13.743 -8.733 1.00 0.00 C ATOM 1320 O PRO A 81 -3.196 -14.129 -8.584 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.118 -13.751 -6.947 1.00 0.00 C ATOM 1322 CG PRO A 81 -7.459 -13.431 -7.651 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.261 -12.092 -8.386 1.00 0.00 C ATOM 0 HA PRO A 81 -4.266 -12.571 -6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.889 -14.815 -7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.167 -13.501 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.727 -14.222 -8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.270 -13.359 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.568 -12.162 -9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.853 -11.297 -7.932 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.012 -14.019 -9.815 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.383 -14.823 -10.901 1.00 0.00 C ATOM 1333 C ALA A 82 -3.398 -13.954 -11.684 1.00 0.00 C ATOM 1334 O ALA A 82 -2.642 -14.441 -12.500 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.470 -15.347 -11.841 1.00 0.00 C ATOM 0 H ALA A 82 -5.971 -13.723 -9.995 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.846 -15.664 -10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.011 -15.935 -12.636 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.165 -15.973 -11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.010 -14.507 -12.277 1.00 0.00 H new ATOM 1341 N SER A 83 -3.383 -12.674 -11.430 1.00 0.00 N ATOM 1342 CA SER A 83 -2.427 -11.788 -12.144 1.00 0.00 C ATOM 1343 C SER A 83 -1.416 -11.265 -11.134 1.00 0.00 C ATOM 1344 O SER A 83 -0.430 -10.664 -11.491 1.00 0.00 O ATOM 1345 CB SER A 83 -3.171 -10.607 -12.775 1.00 0.00 C ATOM 1346 OG SER A 83 -4.114 -11.095 -13.720 1.00 0.00 O ATOM 0 H SER A 83 -3.992 -12.206 -10.759 1.00 0.00 H new ATOM 0 HA SER A 83 -1.926 -12.347 -12.934 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.679 -10.028 -12.003 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.464 -9.936 -13.263 1.00 0.00 H new ATOM 0 HG SER A 83 -4.593 -10.341 -14.124 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.657 -11.490 -9.870 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.713 -10.999 -8.836 1.00 0.00 C ATOM 1354 C GLU A 84 0.671 -11.591 -9.083 1.00 0.00 C ATOM 1355 O GLU A 84 1.653 -10.882 -9.109 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.209 -11.420 -7.451 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.295 -10.823 -6.380 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.029 -11.869 -5.296 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -0.986 -12.329 -4.696 1.00 0.00 O ATOM 1360 OE2 GLU A 84 1.129 -12.191 -5.083 1.00 0.00 O ATOM 0 H GLU A 84 -2.469 -11.994 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.655 -9.912 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.234 -11.080 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.219 -12.507 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.645 -10.500 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.759 -9.939 -5.942 1.00 0.00 H new ATOM 1367 N ALA A 85 0.763 -12.879 -9.269 1.00 0.00 N ATOM 1368 CA ALA A 85 2.099 -13.491 -9.515 1.00 0.00 C ATOM 1369 C ALA A 85 2.783 -12.764 -10.675 1.00 0.00 C ATOM 1370 O ALA A 85 3.991 -12.778 -10.805 1.00 0.00 O ATOM 1371 CB ALA A 85 1.927 -14.971 -9.865 1.00 0.00 C ATOM 0 H ALA A 85 -0.022 -13.530 -9.262 1.00 0.00 H new ATOM 0 HA ALA A 85 2.712 -13.402 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.905 -15.418 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.439 -15.486 -9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.315 -15.064 -10.762 1.00 0.00 H new ATOM 1377 N LYS A 86 2.017 -12.129 -11.520 1.00 0.00 N ATOM 1378 CA LYS A 86 2.616 -11.402 -12.675 1.00 0.00 C ATOM 1379 C LYS A 86 3.056 -10.001 -12.231 1.00 0.00 C ATOM 1380 O LYS A 86 4.216 -9.652 -12.316 1.00 0.00 O ATOM 1381 CB LYS A 86 1.577 -11.284 -13.793 1.00 0.00 C ATOM 1382 CG LYS A 86 2.151 -10.458 -14.946 1.00 0.00 C ATOM 1383 CD LYS A 86 1.565 -9.046 -14.902 1.00 0.00 C ATOM 1384 CE LYS A 86 2.492 -8.084 -15.646 1.00 0.00 C ATOM 1385 NZ LYS A 86 3.761 -7.925 -14.880 1.00 0.00 N ATOM 0 H LYS A 86 1.000 -12.082 -11.460 1.00 0.00 H new ATOM 0 HA LYS A 86 3.484 -11.951 -13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.296 -12.276 -14.148 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.671 -10.814 -13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.238 -10.415 -14.871 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.916 -10.931 -15.899 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.575 -9.038 -15.357 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.443 -8.724 -13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.703 -8.465 -16.645 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.006 -7.116 -15.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.063 -6.930 -14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.608 -8.210 -13.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.499 -8.524 -15.303 1.00 0.00 H new ATOM 1399 N LEU A 87 2.138 -9.193 -11.770 1.00 0.00 N ATOM 1400 CA LEU A 87 2.510 -7.816 -11.331 1.00 0.00 C ATOM 1401 C LEU A 87 3.673 -7.879 -10.353 1.00 0.00 C ATOM 1402 O LEU A 87 4.723 -7.312 -10.575 1.00 0.00 O ATOM 1403 CB LEU A 87 1.320 -7.132 -10.636 1.00 0.00 C ATOM 1404 CG LEU A 87 0.384 -8.168 -10.001 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.023 -7.732 -8.581 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -0.906 -8.270 -10.816 1.00 0.00 C ATOM 0 H LEU A 87 1.149 -9.426 -11.679 1.00 0.00 H new ATOM 0 HA LEU A 87 2.794 -7.243 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.686 -6.449 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.767 -6.533 -11.359 1.00 0.00 H new ATOM 0 HG LEU A 87 0.891 -9.133 -9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.642 -8.470 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.931 -7.651 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.478 -6.764 -8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.567 -9.007 -10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.402 -7.300 -10.834 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.669 -8.576 -11.835 1.00 0.00 H new ATOM 1418 N VAL A 88 3.482 -8.554 -9.269 1.00 0.00 N ATOM 1419 CA VAL A 88 4.550 -8.665 -8.248 1.00 0.00 C ATOM 1420 C VAL A 88 5.914 -8.895 -8.902 1.00 0.00 C ATOM 1421 O VAL A 88 6.939 -8.523 -8.367 1.00 0.00 O ATOM 1422 CB VAL A 88 4.241 -9.858 -7.382 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.969 -9.599 -6.573 1.00 0.00 C ATOM 1424 CG2 VAL A 88 4.045 -11.074 -8.284 1.00 0.00 C ATOM 0 H VAL A 88 2.617 -9.044 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 88 4.587 -7.741 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 88 5.063 -10.037 -6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.752 -10.466 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.112 -8.723 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.135 -9.423 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.820 -11.948 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.219 -10.889 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.956 -11.255 -8.854 1.00 0.00 H new ATOM 1434 N GLU A 89 5.946 -9.526 -10.037 1.00 0.00 N ATOM 1435 CA GLU A 89 7.259 -9.789 -10.691 1.00 0.00 C ATOM 1436 C GLU A 89 8.012 -8.466 -10.816 1.00 0.00 C ATOM 1437 O GLU A 89 9.150 -8.348 -10.405 1.00 0.00 O ATOM 1438 CB GLU A 89 7.037 -10.391 -12.082 1.00 0.00 C ATOM 1439 CG GLU A 89 8.146 -11.402 -12.381 1.00 0.00 C ATOM 1440 CD GLU A 89 7.593 -12.526 -13.258 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.100 -13.495 -12.704 1.00 0.00 O ATOM 1442 OE2 GLU A 89 7.673 -12.400 -14.469 1.00 0.00 O ATOM 0 H GLU A 89 5.128 -9.870 -10.540 1.00 0.00 H new ATOM 0 HA GLU A 89 7.837 -10.494 -10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.063 -10.878 -12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.035 -9.603 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.976 -10.908 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.538 -11.813 -11.451 1.00 0.00 H new ATOM 1449 N GLN A 90 7.384 -7.465 -11.358 1.00 0.00 N ATOM 1450 CA GLN A 90 8.063 -6.148 -11.481 1.00 0.00 C ATOM 1451 C GLN A 90 8.016 -5.439 -10.123 1.00 0.00 C ATOM 1452 O GLN A 90 8.696 -4.457 -9.902 1.00 0.00 O ATOM 1453 CB GLN A 90 7.343 -5.297 -12.529 1.00 0.00 C ATOM 1454 CG GLN A 90 8.285 -4.197 -13.026 1.00 0.00 C ATOM 1455 CD GLN A 90 8.201 -4.099 -14.551 1.00 0.00 C ATOM 1456 OE1 GLN A 90 7.131 -3.941 -15.103 1.00 0.00 O ATOM 1457 NE2 GLN A 90 9.293 -4.188 -15.260 1.00 0.00 N ATOM 0 H GLN A 90 6.431 -7.500 -11.721 1.00 0.00 H new ATOM 0 HA GLN A 90 9.099 -6.292 -11.788 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.023 -5.921 -13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.444 -4.855 -12.099 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.015 -3.242 -12.575 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.308 -4.416 -12.721 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.192 -4.321 -14.797 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.247 -4.125 -16.277 1.00 0.00 H new ATOM 1466 N ALA A 91 7.218 -5.932 -9.210 1.00 0.00 N ATOM 1467 CA ALA A 91 7.129 -5.283 -7.869 1.00 0.00 C ATOM 1468 C ALA A 91 8.503 -5.305 -7.189 1.00 0.00 C ATOM 1469 O ALA A 91 8.935 -4.326 -6.616 1.00 0.00 O ATOM 1470 CB ALA A 91 6.116 -6.020 -6.992 1.00 0.00 C ATOM 0 H ALA A 91 6.626 -6.753 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 91 6.804 -4.251 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.060 -5.537 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.135 -5.993 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.429 -7.056 -6.866 1.00 0.00 H new ATOM 1476 N PHE A 92 9.191 -6.414 -7.240 1.00 0.00 N ATOM 1477 CA PHE A 92 10.531 -6.490 -6.584 1.00 0.00 C ATOM 1478 C PHE A 92 11.620 -6.024 -7.555 1.00 0.00 C ATOM 1479 O PHE A 92 12.751 -5.804 -7.170 1.00 0.00 O ATOM 1480 CB PHE A 92 10.816 -7.935 -6.172 1.00 0.00 C ATOM 1481 CG PHE A 92 9.551 -8.577 -5.653 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.978 -8.131 -4.456 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.955 -9.624 -6.367 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.809 -8.731 -3.973 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.785 -10.223 -5.885 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.213 -9.777 -4.689 1.00 0.00 C ATOM 0 H PHE A 92 8.885 -7.269 -7.706 1.00 0.00 H new ATOM 0 HA PHE A 92 10.531 -5.845 -5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.197 -8.498 -7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.589 -7.958 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.438 -7.324 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.398 -9.969 -7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.367 -8.388 -3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.324 -11.029 -6.436 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.311 -10.240 -4.317 1.00 0.00 H new ATOM 1496 N ARG A 93 11.295 -5.881 -8.809 1.00 0.00 N ATOM 1497 CA ARG A 93 12.319 -5.440 -9.798 1.00 0.00 C ATOM 1498 C ARG A 93 12.871 -4.066 -9.406 1.00 0.00 C ATOM 1499 O ARG A 93 12.135 -3.114 -9.239 1.00 0.00 O ATOM 1500 CB ARG A 93 11.681 -5.354 -11.185 1.00 0.00 C ATOM 1501 CG ARG A 93 12.779 -5.303 -12.247 1.00 0.00 C ATOM 1502 CD ARG A 93 12.146 -5.330 -13.638 1.00 0.00 C ATOM 1503 NE ARG A 93 12.564 -4.119 -14.398 1.00 0.00 N ATOM 1504 CZ ARG A 93 13.131 -4.247 -15.566 1.00 0.00 C ATOM 1505 NH1 ARG A 93 12.768 -5.215 -16.362 1.00 0.00 N ATOM 1506 NH2 ARG A 93 14.056 -3.406 -15.938 1.00 0.00 N ATOM 0 H ARG A 93 10.365 -6.050 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 93 13.136 -6.162 -9.812 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.036 -6.216 -11.355 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.052 -4.466 -11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.376 -4.399 -12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.455 -6.150 -12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.452 -6.230 -14.171 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.060 -5.363 -13.554 1.00 0.00 H new ATOM 0 HE ARG A 93 12.407 -3.191 -14.006 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.042 -5.870 -16.071 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.210 -5.317 -17.276 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.336 -2.648 -15.316 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.499 -3.506 -16.851 1.00 0.00 H new ATOM 1520 N LYS A 94 14.165 -3.958 -9.264 1.00 0.00 N ATOM 1521 CA LYS A 94 14.774 -2.649 -8.892 1.00 0.00 C ATOM 1522 C LYS A 94 14.921 -1.783 -10.147 1.00 0.00 C ATOM 1523 O LYS A 94 15.549 -2.177 -11.111 1.00 0.00 O ATOM 1524 CB LYS A 94 16.154 -2.891 -8.276 1.00 0.00 C ATOM 1525 CG LYS A 94 16.549 -1.694 -7.408 1.00 0.00 C ATOM 1526 CD LYS A 94 18.064 -1.495 -7.476 1.00 0.00 C ATOM 1527 CE LYS A 94 18.616 -1.272 -6.067 1.00 0.00 C ATOM 1528 NZ LYS A 94 18.660 -2.571 -5.338 1.00 0.00 N ATOM 0 H LYS A 94 14.828 -4.723 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 94 14.136 -2.139 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.140 -3.800 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.893 -3.041 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.037 -0.796 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.239 -1.861 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.536 -2.367 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.301 -0.640 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.615 -0.839 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.989 -0.562 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.128 -2.438 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.691 -2.917 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.191 -3.266 -5.900 1.00 0.00 H new