USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.4!) USER MOD Set 2.1: A 28 THR OG1 : rot 150:sc= 0.135 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.0285 K(o=0.11,f=0.71) USER MOD Set 3.1: A 8 SER OG : rot 170:sc= 0.163 USER MOD Set 3.2: A 37 GLN : amide:sc= -1.79! K(o=-1.6!,f=0.42) USER MOD Set 4.1: A 7 CYS SG : rot 120:sc= -1.04 USER MOD Set 4.2: A 101 GLN : amide:sc= -3.27 K(o=-4.3,f=-0.43) USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.0363 USER MOD Single : A 9 SER OG : rot -125:sc= -3.36 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 110:sc= -0.503 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.764 (180deg=-2.34!) USER MOD Single : A 34 SER OG : rot 110:sc= -0.742 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.25 X(o=-3.3,f=-3.1) USER MOD Single : A 41 ASN : amide:sc= -0.274 K(o=-0.27,f=-3.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 45 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.057) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= 1.1 (180deg=-0.374) USER MOD Single : A 54 MET CE :methyl 126:sc= -4.2! (180deg=-6.05!) USER MOD Single : A 55 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.005) USER MOD Single : A 58 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.34) USER MOD Single : A 63 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.5!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -138:sc= 1.29 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.51) USER MOD Single : A 76 THR OG1 : rot 170:sc= -2.14 USER MOD Single : A 78 ASN : amide:sc= -2.69 X(o=-2.7,f=-2.7) USER MOD Single : A 80 HIS : no HE2:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 81 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.011) USER MOD Single : A 92 ASN : amide:sc= -4.3! K(o=-4.3!,f=-2.8) USER MOD Single : A 95 SER OG : rot 180:sc= -1.39 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -129:sc= -9.73! (180deg=-14.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.049 9.304 4.718 1.00 0.00 N ATOM 47 CA THR A 4 11.877 9.840 3.371 1.00 0.00 C ATOM 48 C THR A 4 10.820 9.057 2.597 1.00 0.00 C ATOM 49 O THR A 4 10.764 7.830 2.670 1.00 0.00 O ATOM 50 CB THR A 4 13.210 9.806 2.619 1.00 0.00 C ATOM 51 OG1 THR A 4 14.159 10.654 3.242 1.00 0.00 O ATOM 52 CG2 THR A 4 13.099 10.233 1.170 1.00 0.00 C ATOM 0 HA THR A 4 11.538 10.872 3.458 1.00 0.00 H new ATOM 0 HB THR A 4 13.527 8.763 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.988 10.684 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.081 10.184 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.413 9.568 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.723 11.255 1.120 1.00 0.00 H new ATOM 60 N VAL A 5 9.990 9.778 1.846 1.00 0.00 N ATOM 61 CA VAL A 5 8.944 9.151 1.048 1.00 0.00 C ATOM 62 C VAL A 5 9.481 8.754 -0.325 1.00 0.00 C ATOM 63 O VAL A 5 10.503 9.277 -0.773 1.00 0.00 O ATOM 64 CB VAL A 5 7.724 10.087 0.881 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.770 9.564 -0.185 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.996 10.253 2.207 1.00 0.00 C ATOM 0 H VAL A 5 10.023 10.795 1.775 1.00 0.00 H new ATOM 0 HA VAL A 5 8.620 8.256 1.579 1.00 0.00 H new ATOM 0 HB VAL A 5 8.091 11.061 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.923 10.243 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.292 9.499 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.412 8.575 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.140 10.914 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.651 9.280 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.675 10.684 2.943 1.00 0.00 H new ATOM 76 N ILE A 6 8.799 7.822 -0.986 1.00 0.00 N ATOM 77 CA ILE A 6 9.229 7.359 -2.300 1.00 0.00 C ATOM 78 C ILE A 6 8.256 7.769 -3.401 1.00 0.00 C ATOM 79 O ILE A 6 8.580 8.602 -4.247 1.00 0.00 O ATOM 80 CB ILE A 6 9.400 5.826 -2.336 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.773 5.295 -0.946 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.450 5.452 -3.368 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.538 3.987 -0.959 1.00 0.00 C ATOM 0 H ILE A 6 7.952 7.376 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 6 10.192 7.836 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 6 8.455 5.365 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.372 6.047 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.861 5.162 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.568 4.369 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.136 5.803 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.401 5.915 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.760 3.685 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.935 3.218 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.470 4.116 -1.510 1.00 0.00 H new ATOM 95 N CYS A 7 7.070 7.167 -3.400 1.00 0.00 N ATOM 96 CA CYS A 7 6.068 7.464 -4.416 1.00 0.00 C ATOM 97 C CYS A 7 4.729 7.839 -3.791 1.00 0.00 C ATOM 98 O CYS A 7 4.599 7.897 -2.567 1.00 0.00 O ATOM 99 CB CYS A 7 5.896 6.262 -5.345 1.00 0.00 C ATOM 100 SG CYS A 7 6.390 6.579 -7.055 1.00 0.00 S ATOM 0 H CYS A 7 6.781 6.474 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 7 6.418 8.321 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.482 5.429 -4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.851 5.951 -5.331 1.00 0.00 H new ATOM 0 HG CYS A 7 7.347 5.765 -7.388 1.00 0.00 H new ATOM 106 N SER A 8 3.739 8.096 -4.646 1.00 0.00 N ATOM 107 CA SER A 8 2.402 8.476 -4.189 1.00 0.00 C ATOM 108 C SER A 8 1.341 8.135 -5.233 1.00 0.00 C ATOM 109 O SER A 8 1.403 8.610 -6.367 1.00 0.00 O ATOM 110 CB SER A 8 2.351 9.976 -3.886 1.00 0.00 C ATOM 111 OG SER A 8 3.637 10.564 -3.981 1.00 0.00 O ATOM 0 H SER A 8 3.838 8.048 -5.660 1.00 0.00 H new ATOM 0 HA SER A 8 2.191 7.911 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.672 10.467 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.950 10.134 -2.885 1.00 0.00 H new ATOM 0 HG SER A 8 3.554 11.540 -3.942 1.00 0.00 H new ATOM 117 N SER A 9 0.365 7.318 -4.845 1.00 0.00 N ATOM 118 CA SER A 9 -0.705 6.933 -5.759 1.00 0.00 C ATOM 119 C SER A 9 -2.075 7.026 -5.091 1.00 0.00 C ATOM 120 O SER A 9 -2.188 6.960 -3.867 1.00 0.00 O ATOM 121 CB SER A 9 -0.475 5.512 -6.263 1.00 0.00 C ATOM 122 OG SER A 9 -1.385 5.186 -7.299 1.00 0.00 O ATOM 0 H SER A 9 0.293 6.913 -3.912 1.00 0.00 H new ATOM 0 HA SER A 9 -0.690 7.628 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.547 5.413 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.589 4.807 -5.439 1.00 0.00 H new ATOM 0 HG SER A 9 -1.864 4.363 -7.067 1.00 0.00 H new ATOM 128 N ARG A 10 -3.115 7.171 -5.911 1.00 0.00 N ATOM 129 CA ARG A 10 -4.486 7.262 -5.413 1.00 0.00 C ATOM 130 C ARG A 10 -5.172 5.902 -5.512 1.00 0.00 C ATOM 131 O ARG A 10 -5.152 5.259 -6.565 1.00 0.00 O ATOM 132 CB ARG A 10 -5.270 8.305 -6.211 1.00 0.00 C ATOM 133 CG ARG A 10 -6.578 8.715 -5.557 1.00 0.00 C ATOM 134 CD ARG A 10 -7.133 9.991 -6.173 1.00 0.00 C ATOM 135 NE ARG A 10 -7.105 9.950 -7.633 1.00 0.00 N ATOM 136 CZ ARG A 10 -7.163 11.032 -8.406 1.00 0.00 C ATOM 137 NH1 ARG A 10 -7.256 12.240 -7.864 1.00 0.00 N ATOM 138 NH2 ARG A 10 -7.131 10.905 -9.726 1.00 0.00 N ATOM 0 H ARG A 10 -3.033 7.228 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.459 7.568 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.648 9.190 -6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.479 7.908 -7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.307 7.911 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.421 8.864 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.158 10.141 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.553 10.845 -5.823 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.037 9.039 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.283 12.343 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.300 13.065 -8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.062 9.979 -10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.175 11.734 -10.319 1.00 0.00 H new ATOM 152 N ALA A 11 -5.775 5.463 -4.411 1.00 0.00 N ATOM 153 CA ALA A 11 -6.451 4.171 -4.384 1.00 0.00 C ATOM 154 C ALA A 11 -7.201 3.969 -3.073 1.00 0.00 C ATOM 155 O ALA A 11 -7.174 4.824 -2.192 1.00 0.00 O ATOM 156 CB ALA A 11 -5.440 3.052 -4.592 1.00 0.00 C ATOM 0 H ALA A 11 -5.809 5.979 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.181 4.150 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.952 2.090 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.949 3.180 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.694 3.083 -3.798 1.00 0.00 H new ATOM 162 N THR A 12 -7.864 2.826 -2.952 1.00 0.00 N ATOM 163 CA THR A 12 -8.618 2.501 -1.749 1.00 0.00 C ATOM 164 C THR A 12 -7.989 1.314 -1.037 1.00 0.00 C ATOM 165 O THR A 12 -8.313 0.162 -1.326 1.00 0.00 O ATOM 166 CB THR A 12 -10.073 2.183 -2.100 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.595 3.145 -3.001 1.00 0.00 O ATOM 168 CG2 THR A 12 -10.983 2.139 -0.891 1.00 0.00 C ATOM 0 H THR A 12 -7.895 2.107 -3.675 1.00 0.00 H new ATOM 0 HA THR A 12 -8.596 3.366 -1.086 1.00 0.00 H new ATOM 0 HB THR A 12 -10.052 1.192 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.525 2.923 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.000 1.909 -1.209 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.635 1.369 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.970 3.107 -0.390 1.00 0.00 H new ATOM 176 N VAL A 13 -7.082 1.598 -0.107 1.00 0.00 N ATOM 177 CA VAL A 13 -6.403 0.548 0.640 1.00 0.00 C ATOM 178 C VAL A 13 -7.394 -0.487 1.157 1.00 0.00 C ATOM 179 O VAL A 13 -8.518 -0.161 1.535 1.00 0.00 O ATOM 180 CB VAL A 13 -5.583 1.128 1.811 1.00 0.00 C ATOM 181 CG1 VAL A 13 -4.957 0.017 2.643 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.510 2.072 1.284 1.00 0.00 C ATOM 0 H VAL A 13 -6.802 2.545 0.146 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.715 0.057 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.258 1.690 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.385 0.454 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.743 -0.620 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.295 -0.579 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.938 2.475 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.842 1.528 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.981 2.890 0.739 1.00 0.00 H new ATOM 192 N MET A 14 -6.964 -1.740 1.149 1.00 0.00 N ATOM 193 CA MET A 14 -7.801 -2.842 1.594 1.00 0.00 C ATOM 194 C MET A 14 -6.985 -3.848 2.405 1.00 0.00 C ATOM 195 O MET A 14 -5.759 -3.882 2.312 1.00 0.00 O ATOM 196 CB MET A 14 -8.442 -3.533 0.382 1.00 0.00 C ATOM 197 CG MET A 14 -9.697 -4.318 0.727 1.00 0.00 C ATOM 198 SD MET A 14 -11.097 -3.896 -0.330 1.00 0.00 S ATOM 199 CE MET A 14 -12.368 -3.595 0.897 1.00 0.00 C ATOM 0 H MET A 14 -6.034 -2.019 0.837 1.00 0.00 H new ATOM 0 HA MET A 14 -8.587 -2.444 2.236 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.688 -2.781 -0.367 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.714 -4.207 -0.070 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.489 -5.384 0.639 1.00 0.00 H new ATOM 0 HG3 MET A 14 -9.963 -4.130 1.767 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.298 -3.322 0.398 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.524 -4.497 1.488 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.056 -2.782 1.552 1.00 0.00 H new ATOM 209 N LEU A 15 -7.672 -4.660 3.201 1.00 0.00 N ATOM 210 CA LEU A 15 -7.010 -5.663 4.028 1.00 0.00 C ATOM 211 C LEU A 15 -7.673 -7.025 3.857 1.00 0.00 C ATOM 212 O LEU A 15 -8.820 -7.221 4.254 1.00 0.00 O ATOM 213 CB LEU A 15 -7.043 -5.250 5.505 1.00 0.00 C ATOM 214 CG LEU A 15 -5.718 -4.733 6.078 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.778 -4.691 7.597 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.556 -5.598 5.617 1.00 0.00 C ATOM 0 H LEU A 15 -8.688 -4.643 3.291 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.972 -5.735 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.799 -4.475 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.364 -6.107 6.096 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.558 -3.721 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.830 -4.322 7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.583 -4.027 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.964 -5.694 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.627 -5.212 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.709 -6.623 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.498 -5.580 4.529 1.00 0.00 H new ATOM 228 N TYR A 16 -6.950 -7.964 3.257 1.00 0.00 N ATOM 229 CA TYR A 16 -7.479 -9.302 3.027 1.00 0.00 C ATOM 230 C TYR A 16 -7.502 -10.127 4.308 1.00 0.00 C ATOM 231 O TYR A 16 -6.620 -10.006 5.159 1.00 0.00 O ATOM 232 CB TYR A 16 -6.653 -10.033 1.971 1.00 0.00 C ATOM 233 CG TYR A 16 -7.410 -11.136 1.272 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.172 -10.871 0.141 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.365 -12.441 1.744 1.00 0.00 C ATOM 236 CE1 TYR A 16 -8.867 -11.876 -0.502 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.054 -13.454 1.107 1.00 0.00 C ATOM 238 CZ TYR A 16 -8.805 -13.167 -0.016 1.00 0.00 C ATOM 239 OH TYR A 16 -9.492 -14.172 -0.657 1.00 0.00 O ATOM 0 H TYR A 16 -5.997 -7.823 2.922 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.503 -9.185 2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.308 -9.313 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.766 -10.455 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.222 -9.862 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.781 -12.668 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.456 -11.654 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.006 -14.465 1.485 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.856 -14.773 -1.098 1.00 0.00 H new ATOM 249 N ASP A 17 -8.514 -10.978 4.424 1.00 0.00 N ATOM 250 CA ASP A 17 -8.662 -11.849 5.583 1.00 0.00 C ATOM 251 C ASP A 17 -8.689 -13.308 5.138 1.00 0.00 C ATOM 252 O ASP A 17 -9.755 -13.913 5.023 1.00 0.00 O ATOM 253 CB ASP A 17 -9.941 -11.506 6.350 1.00 0.00 C ATOM 254 CG ASP A 17 -9.728 -11.495 7.851 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.049 -10.573 8.348 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.242 -12.409 8.530 1.00 0.00 O ATOM 0 H ASP A 17 -9.249 -11.084 3.724 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.811 -11.697 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.303 -10.529 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.716 -12.230 6.101 1.00 0.00 H new ATOM 261 N ASP A 18 -7.508 -13.865 4.877 1.00 0.00 N ATOM 262 CA ASP A 18 -7.394 -15.251 4.431 1.00 0.00 C ATOM 263 C ASP A 18 -8.189 -16.191 5.334 1.00 0.00 C ATOM 264 O ASP A 18 -8.625 -17.258 4.901 1.00 0.00 O ATOM 265 CB ASP A 18 -5.926 -15.677 4.392 1.00 0.00 C ATOM 266 CG ASP A 18 -5.326 -15.553 3.005 1.00 0.00 C ATOM 267 OD1 ASP A 18 -5.651 -16.394 2.141 1.00 0.00 O ATOM 268 OD2 ASP A 18 -4.532 -14.616 2.783 1.00 0.00 O ATOM 0 H ASP A 18 -6.617 -13.377 4.967 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.811 -15.314 3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.354 -15.064 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.841 -16.709 4.731 1.00 0.00 H new ATOM 273 N GLY A 19 -8.379 -15.788 6.586 1.00 0.00 N ATOM 274 CA GLY A 19 -9.130 -16.608 7.521 1.00 0.00 C ATOM 275 C GLY A 19 -10.504 -16.964 6.991 1.00 0.00 C ATOM 276 O GLY A 19 -11.042 -18.030 7.296 1.00 0.00 O ATOM 0 H GLY A 19 -8.028 -14.911 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.574 -17.522 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.233 -16.076 8.467 1.00 0.00 H new ATOM 280 N ASN A 20 -11.070 -16.069 6.189 1.00 0.00 N ATOM 281 CA ASN A 20 -12.387 -16.286 5.601 1.00 0.00 C ATOM 282 C ASN A 20 -12.365 -16.046 4.091 1.00 0.00 C ATOM 283 O ASN A 20 -13.405 -16.092 3.433 1.00 0.00 O ATOM 284 CB ASN A 20 -13.418 -15.365 6.259 1.00 0.00 C ATOM 285 CG ASN A 20 -13.717 -15.764 7.690 1.00 0.00 C ATOM 286 OD1 ASN A 20 -14.425 -16.738 7.941 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.176 -15.009 8.640 1.00 0.00 N ATOM 0 H ASN A 20 -10.636 -15.183 5.930 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.666 -17.325 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.050 -14.339 6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.341 -15.383 5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.342 -15.229 9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.595 -14.210 8.387 1.00 0.00 H new ATOM 294 N LYS A 21 -11.176 -15.792 3.544 1.00 0.00 N ATOM 295 CA LYS A 21 -11.027 -15.547 2.114 1.00 0.00 C ATOM 296 C LYS A 21 -11.908 -14.387 1.661 1.00 0.00 C ATOM 297 O LYS A 21 -13.017 -14.592 1.170 1.00 0.00 O ATOM 298 CB LYS A 21 -11.375 -16.810 1.323 1.00 0.00 C ATOM 299 CG LYS A 21 -10.624 -16.931 0.006 1.00 0.00 C ATOM 300 CD LYS A 21 -10.348 -18.384 -0.348 1.00 0.00 C ATOM 301 CE LYS A 21 -9.179 -18.938 0.448 1.00 0.00 C ATOM 302 NZ LYS A 21 -9.620 -19.552 1.731 1.00 0.00 N ATOM 0 H LYS A 21 -10.304 -15.751 4.071 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.988 -15.280 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.158 -17.684 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.446 -16.819 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.206 -16.466 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.682 -16.386 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.238 -18.982 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.135 -18.466 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.654 -19.684 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.469 -18.137 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.065 -20.412 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.475 -18.876 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.629 -19.797 1.670 1.00 0.00 H new ATOM 316 N ARG A 22 -11.403 -13.166 1.831 1.00 0.00 N ATOM 317 CA ARG A 22 -12.141 -11.966 1.440 1.00 0.00 C ATOM 318 C ARG A 22 -11.405 -10.706 1.880 1.00 0.00 C ATOM 319 O ARG A 22 -10.603 -10.738 2.813 1.00 0.00 O ATOM 320 CB ARG A 22 -13.545 -11.981 2.050 1.00 0.00 C ATOM 321 CG ARG A 22 -13.557 -12.328 3.531 1.00 0.00 C ATOM 322 CD ARG A 22 -14.216 -11.235 4.358 1.00 0.00 C ATOM 323 NE ARG A 22 -14.029 -11.443 5.791 1.00 0.00 N ATOM 324 CZ ARG A 22 -14.492 -10.617 6.727 1.00 0.00 C ATOM 325 NH1 ARG A 22 -15.167 -9.527 6.385 1.00 0.00 N ATOM 326 NH2 ARG A 22 -14.278 -10.882 8.008 1.00 0.00 N ATOM 0 H ARG A 22 -10.486 -12.982 2.237 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.221 -11.962 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.004 -11.002 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.160 -12.702 1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.088 -13.268 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.535 -12.481 3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.802 -10.267 4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.282 -11.203 4.133 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.513 -12.270 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.334 -9.318 5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.519 -8.898 7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.759 -11.718 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.632 -10.250 8.726 1.00 0.00 H new ATOM 340 N TRP A 23 -11.689 -9.595 1.209 1.00 0.00 N ATOM 341 CA TRP A 23 -11.061 -8.321 1.539 1.00 0.00 C ATOM 342 C TRP A 23 -11.660 -7.747 2.821 1.00 0.00 C ATOM 343 O TRP A 23 -12.608 -8.301 3.376 1.00 0.00 O ATOM 344 CB TRP A 23 -11.240 -7.320 0.394 1.00 0.00 C ATOM 345 CG TRP A 23 -10.230 -7.467 -0.708 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.496 -7.684 -2.027 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.803 -7.401 -0.593 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.325 -7.768 -2.739 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.272 -7.596 -1.883 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.922 -7.198 0.470 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.902 -7.593 -2.135 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.563 -7.193 0.219 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.065 -7.390 -1.074 1.00 0.00 C ATOM 0 H TRP A 23 -12.350 -9.551 0.433 1.00 0.00 H new ATOM 0 HA TRP A 23 -9.996 -8.498 1.691 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.239 -7.437 -0.025 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.180 -6.309 0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.485 -7.777 -2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.252 -7.932 -3.743 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.296 -7.047 1.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.516 -7.745 -3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.873 -7.034 1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.997 -7.381 -1.237 1.00 0.00 H new ATOM 364 N LEU A 24 -11.102 -6.634 3.281 1.00 0.00 N ATOM 365 CA LEU A 24 -11.582 -5.980 4.493 1.00 0.00 C ATOM 366 C LEU A 24 -10.972 -4.584 4.626 1.00 0.00 C ATOM 367 O LEU A 24 -9.753 -4.431 4.600 1.00 0.00 O ATOM 368 CB LEU A 24 -11.242 -6.825 5.726 1.00 0.00 C ATOM 369 CG LEU A 24 -12.450 -7.377 6.486 1.00 0.00 C ATOM 370 CD1 LEU A 24 -11.997 -8.277 7.625 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.312 -6.240 7.014 1.00 0.00 C ATOM 0 H LEU A 24 -10.315 -6.164 2.833 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.665 -5.881 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.616 -7.661 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.647 -6.219 6.410 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.049 -7.971 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.869 -8.661 8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.421 -9.110 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.376 -7.706 8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.167 -6.651 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.722 -5.620 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.665 -5.634 6.180 1.00 0.00 H new ATOM 383 N PRO A 25 -11.812 -3.541 4.763 1.00 0.00 N ATOM 384 CA PRO A 25 -11.339 -2.158 4.889 1.00 0.00 C ATOM 385 C PRO A 25 -10.157 -2.015 5.845 1.00 0.00 C ATOM 386 O PRO A 25 -10.336 -1.927 7.060 1.00 0.00 O ATOM 387 CB PRO A 25 -12.562 -1.429 5.440 1.00 0.00 C ATOM 388 CG PRO A 25 -13.724 -2.185 4.896 1.00 0.00 C ATOM 389 CD PRO A 25 -13.286 -3.623 4.800 1.00 0.00 C ATOM 0 HA PRO A 25 -10.971 -1.767 3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.565 -1.427 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.581 -0.387 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.592 -2.086 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.014 -1.801 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.633 -4.205 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.682 -4.103 3.905 1.00 0.00 H new ATOM 397 N ALA A 26 -8.946 -1.985 5.286 1.00 0.00 N ATOM 398 CA ALA A 26 -7.731 -1.844 6.084 1.00 0.00 C ATOM 399 C ALA A 26 -7.870 -0.733 7.120 1.00 0.00 C ATOM 400 O ALA A 26 -7.748 -0.968 8.322 1.00 0.00 O ATOM 401 CB ALA A 26 -6.541 -1.569 5.178 1.00 0.00 C ATOM 0 H ALA A 26 -8.782 -2.057 4.282 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.569 -2.781 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.640 -1.465 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.416 -2.397 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.713 -0.648 4.622 1.00 0.00 H new ATOM 407 N GLY A 27 -8.123 0.476 6.638 1.00 0.00 N ATOM 408 CA GLY A 27 -8.276 1.619 7.521 1.00 0.00 C ATOM 409 C GLY A 27 -9.260 1.368 8.647 1.00 0.00 C ATOM 410 O GLY A 27 -8.903 0.786 9.671 1.00 0.00 O ATOM 0 H GLY A 27 -8.226 0.688 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.305 1.877 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.609 2.479 6.940 1.00 0.00 H new ATOM 414 N THR A 28 -10.501 1.809 8.462 1.00 0.00 N ATOM 415 CA THR A 28 -11.533 1.629 9.475 1.00 0.00 C ATOM 416 C THR A 28 -12.852 1.191 8.849 1.00 0.00 C ATOM 417 O THR A 28 -13.230 0.021 8.926 1.00 0.00 O ATOM 418 CB THR A 28 -11.734 2.926 10.262 1.00 0.00 C ATOM 419 OG1 THR A 28 -12.066 3.993 9.393 1.00 0.00 O ATOM 420 CG2 THR A 28 -10.513 3.341 11.053 1.00 0.00 C ATOM 0 H THR A 28 -10.815 2.293 7.621 1.00 0.00 H new ATOM 0 HA THR A 28 -11.202 0.844 10.154 1.00 0.00 H new ATOM 0 HB THR A 28 -12.545 2.718 10.960 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.634 4.636 9.867 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.723 4.268 11.587 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.260 2.559 11.769 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.675 3.496 10.374 1.00 0.00 H new ATOM 428 N GLY A 29 -13.549 2.136 8.233 1.00 0.00 N ATOM 429 CA GLY A 29 -14.823 1.832 7.605 1.00 0.00 C ATOM 430 C GLY A 29 -14.949 2.436 6.218 1.00 0.00 C ATOM 431 O GLY A 29 -14.881 1.718 5.220 1.00 0.00 O ATOM 0 H GLY A 29 -13.256 3.110 8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.942 0.751 7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.632 2.204 8.234 1.00 0.00 H new ATOM 435 N PRO A 30 -15.134 3.765 6.121 1.00 0.00 N ATOM 436 CA PRO A 30 -15.268 4.459 4.839 1.00 0.00 C ATOM 437 C PRO A 30 -14.228 4.001 3.822 1.00 0.00 C ATOM 438 O PRO A 30 -13.240 3.358 4.177 1.00 0.00 O ATOM 439 CB PRO A 30 -15.058 5.941 5.197 1.00 0.00 C ATOM 440 CG PRO A 30 -14.692 5.970 6.648 1.00 0.00 C ATOM 441 CD PRO A 30 -15.225 4.701 7.245 1.00 0.00 C ATOM 0 HA PRO A 30 -16.232 4.259 4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.269 6.381 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.964 6.519 5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.611 6.035 6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.123 6.842 7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.631 4.372 8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.250 4.816 7.596 1.00 0.00 H new ATOM 449 N GLN A 31 -14.456 4.334 2.556 1.00 0.00 N ATOM 450 CA GLN A 31 -13.535 3.953 1.491 1.00 0.00 C ATOM 451 C GLN A 31 -13.545 4.977 0.362 1.00 0.00 C ATOM 452 O GLN A 31 -13.805 4.644 -0.795 1.00 0.00 O ATOM 453 CB GLN A 31 -13.896 2.571 0.947 1.00 0.00 C ATOM 454 CG GLN A 31 -13.198 1.436 1.673 1.00 0.00 C ATOM 455 CD GLN A 31 -13.704 0.071 1.249 1.00 0.00 C ATOM 456 OE1 GLN A 31 -14.308 -0.654 2.038 1.00 0.00 O ATOM 457 NE2 GLN A 31 -13.459 -0.286 -0.007 1.00 0.00 N ATOM 0 H GLN A 31 -15.268 4.865 2.243 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.530 3.920 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.974 2.430 1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.640 2.527 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.126 1.496 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.341 1.555 2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.954 0.347 -0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.776 -1.193 -0.350 1.00 0.00 H new ATOM 466 N ALA A 32 -13.246 6.223 0.704 1.00 0.00 N ATOM 467 CA ALA A 32 -13.207 7.297 -0.281 1.00 0.00 C ATOM 468 C ALA A 32 -11.793 7.474 -0.818 1.00 0.00 C ATOM 469 O ALA A 32 -11.261 8.584 -0.853 1.00 0.00 O ATOM 470 CB ALA A 32 -13.714 8.595 0.330 1.00 0.00 C ATOM 0 H ALA A 32 -13.027 6.516 1.656 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.859 7.030 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.679 9.387 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.741 8.461 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.086 8.868 1.178 1.00 0.00 H new ATOM 476 N PHE A 33 -11.182 6.364 -1.220 1.00 0.00 N ATOM 477 CA PHE A 33 -9.821 6.384 -1.741 1.00 0.00 C ATOM 478 C PHE A 33 -8.853 6.884 -0.681 1.00 0.00 C ATOM 479 O PHE A 33 -9.241 7.148 0.456 1.00 0.00 O ATOM 480 CB PHE A 33 -9.724 7.266 -2.988 1.00 0.00 C ATOM 481 CG PHE A 33 -10.252 6.609 -4.229 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.446 5.763 -4.969 1.00 0.00 C ATOM 483 CD2 PHE A 33 -11.551 6.837 -4.654 1.00 0.00 C ATOM 484 CE1 PHE A 33 -9.922 5.153 -6.111 1.00 0.00 C ATOM 485 CE2 PHE A 33 -12.035 6.230 -5.797 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.219 5.386 -6.527 1.00 0.00 C ATOM 0 H PHE A 33 -11.609 5.438 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.554 5.364 -2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.275 8.190 -2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.682 7.542 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.431 5.578 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.191 7.496 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.282 4.494 -6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.049 6.415 -6.120 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.594 4.910 -7.421 1.00 0.00 H new ATOM 496 N SER A 34 -7.589 7.009 -1.058 1.00 0.00 N ATOM 497 CA SER A 34 -6.564 7.472 -0.137 1.00 0.00 C ATOM 498 C SER A 34 -5.245 7.688 -0.869 1.00 0.00 C ATOM 499 O SER A 34 -4.941 6.993 -1.838 1.00 0.00 O ATOM 500 CB SER A 34 -6.368 6.461 0.998 1.00 0.00 C ATOM 501 OG SER A 34 -7.179 5.315 0.808 1.00 0.00 O ATOM 0 H SER A 34 -7.249 6.796 -1.996 1.00 0.00 H new ATOM 0 HA SER A 34 -6.891 8.421 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.320 6.164 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.612 6.929 1.952 1.00 0.00 H new ATOM 0 HG SER A 34 -6.613 4.548 0.582 1.00 0.00 H new ATOM 507 N ARG A 35 -4.460 8.644 -0.391 1.00 0.00 N ATOM 508 CA ARG A 35 -3.166 8.939 -0.991 1.00 0.00 C ATOM 509 C ARG A 35 -2.074 8.166 -0.265 1.00 0.00 C ATOM 510 O ARG A 35 -1.625 8.567 0.809 1.00 0.00 O ATOM 511 CB ARG A 35 -2.876 10.439 -0.933 1.00 0.00 C ATOM 512 CG ARG A 35 -2.106 10.954 -2.138 1.00 0.00 C ATOM 513 CD ARG A 35 -3.039 11.516 -3.199 1.00 0.00 C ATOM 514 NE ARG A 35 -2.499 12.721 -3.821 1.00 0.00 N ATOM 515 CZ ARG A 35 -3.235 13.596 -4.504 1.00 0.00 C ATOM 516 NH1 ARG A 35 -4.539 13.402 -4.656 1.00 0.00 N ATOM 517 NH2 ARG A 35 -2.664 14.668 -5.037 1.00 0.00 N ATOM 0 H ARG A 35 -4.697 9.229 0.411 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.187 8.633 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.819 10.981 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.308 10.657 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.407 11.728 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.514 10.145 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.214 10.760 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.005 11.743 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.500 12.904 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.983 12.579 -4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.097 14.076 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.662 14.822 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.227 15.339 -5.560 1.00 0.00 H new ATOM 531 N VAL A 36 -1.668 7.043 -0.845 1.00 0.00 N ATOM 532 CA VAL A 36 -0.646 6.203 -0.236 1.00 0.00 C ATOM 533 C VAL A 36 0.743 6.518 -0.769 1.00 0.00 C ATOM 534 O VAL A 36 0.946 6.665 -1.974 1.00 0.00 O ATOM 535 CB VAL A 36 -0.942 4.707 -0.446 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.020 3.858 0.371 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.383 4.390 -0.077 1.00 0.00 C ATOM 0 H VAL A 36 -2.030 6.695 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.669 6.425 0.831 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.801 4.471 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.201 2.803 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.043 4.065 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.092 4.097 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.573 3.328 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.554 4.640 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.056 4.974 -0.704 1.00 0.00 H new ATOM 547 N GLN A 37 1.693 6.610 0.150 1.00 0.00 N ATOM 548 CA GLN A 37 3.077 6.898 -0.190 1.00 0.00 C ATOM 549 C GLN A 37 4.000 5.904 0.498 1.00 0.00 C ATOM 550 O GLN A 37 3.672 5.381 1.563 1.00 0.00 O ATOM 551 CB GLN A 37 3.433 8.325 0.229 1.00 0.00 C ATOM 552 CG GLN A 37 2.830 9.385 -0.673 1.00 0.00 C ATOM 553 CD GLN A 37 3.516 10.730 -0.534 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.382 11.409 0.484 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.257 11.124 -1.565 1.00 0.00 N ATOM 0 H GLN A 37 1.526 6.487 1.149 1.00 0.00 H new ATOM 0 HA GLN A 37 3.203 6.806 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.093 8.491 1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.517 8.435 0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.895 9.054 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.771 9.496 -0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.341 10.530 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.742 12.021 -1.531 1.00 0.00 H new ATOM 564 N ILE A 38 5.154 5.644 -0.103 1.00 0.00 N ATOM 565 CA ILE A 38 6.103 4.710 0.480 1.00 0.00 C ATOM 566 C ILE A 38 7.198 5.460 1.219 1.00 0.00 C ATOM 567 O ILE A 38 7.446 6.632 0.948 1.00 0.00 O ATOM 568 CB ILE A 38 6.733 3.799 -0.591 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.635 3.082 -1.377 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.679 2.788 0.049 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.165 2.180 -2.466 1.00 0.00 C ATOM 0 H ILE A 38 5.452 6.062 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 38 5.554 4.082 1.182 1.00 0.00 H new ATOM 0 HB ILE A 38 7.312 4.417 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.033 2.491 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.973 3.825 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.113 2.155 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.475 3.316 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.126 2.169 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.331 1.704 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.743 2.770 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.804 1.414 -2.026 1.00 0.00 H new ATOM 583 N TYR A 39 7.845 4.780 2.153 1.00 0.00 N ATOM 584 CA TYR A 39 8.909 5.392 2.930 1.00 0.00 C ATOM 585 C TYR A 39 10.205 4.607 2.792 1.00 0.00 C ATOM 586 O TYR A 39 10.268 3.424 3.126 1.00 0.00 O ATOM 587 CB TYR A 39 8.497 5.490 4.398 1.00 0.00 C ATOM 588 CG TYR A 39 7.655 6.708 4.697 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.362 6.817 4.201 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.154 7.750 5.464 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.590 7.932 4.462 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.388 8.868 5.733 1.00 0.00 C ATOM 593 CZ TYR A 39 6.108 8.955 5.230 1.00 0.00 C ATOM 594 OH TYR A 39 5.342 10.068 5.493 1.00 0.00 O ATOM 0 H TYR A 39 7.652 3.807 2.390 1.00 0.00 H new ATOM 0 HA TYR A 39 9.082 6.397 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.940 4.594 4.674 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.392 5.513 5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.954 6.017 3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.158 7.687 5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.587 8.003 4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.790 9.670 6.334 1.00 0.00 H new ATOM 0 HH TYR A 39 5.853 10.693 6.048 1.00 0.00 H new ATOM 604 N HIS A 40 11.235 5.275 2.291 1.00 0.00 N ATOM 605 CA HIS A 40 12.533 4.645 2.102 1.00 0.00 C ATOM 606 C HIS A 40 13.428 4.883 3.312 1.00 0.00 C ATOM 607 O HIS A 40 14.046 5.939 3.445 1.00 0.00 O ATOM 608 CB HIS A 40 13.200 5.181 0.831 1.00 0.00 C ATOM 609 CG HIS A 40 14.486 4.492 0.487 1.00 0.00 C ATOM 610 ND1 HIS A 40 14.817 4.118 -0.798 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.524 4.108 1.268 1.00 0.00 C ATOM 612 CE1 HIS A 40 16.001 3.532 -0.794 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.451 3.515 0.447 1.00 0.00 N ATOM 0 H HIS A 40 11.196 6.254 2.008 1.00 0.00 H new ATOM 0 HA HIS A 40 12.383 3.571 1.994 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.507 5.076 -0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.391 6.247 0.954 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.607 4.243 2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.513 3.135 -1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.344 3.124 0.748 1.00 0.00 H new ATOM 622 N ASN A 41 13.483 3.889 4.197 1.00 0.00 N ATOM 623 CA ASN A 41 14.295 3.976 5.406 1.00 0.00 C ATOM 624 C ASN A 41 15.599 3.200 5.242 1.00 0.00 C ATOM 625 O ASN A 41 15.640 1.991 5.468 1.00 0.00 O ATOM 626 CB ASN A 41 13.525 3.416 6.605 1.00 0.00 C ATOM 627 CG ASN A 41 12.099 3.928 6.671 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.739 4.890 5.992 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.278 3.284 7.492 1.00 0.00 N ATOM 0 H ASN A 41 12.972 3.012 4.097 1.00 0.00 H new ATOM 0 HA ASN A 41 14.526 5.027 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.514 2.327 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.046 3.683 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.306 3.582 7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.619 2.491 8.036 1.00 0.00 H new ATOM 636 N PRO A 42 16.689 3.880 4.846 1.00 0.00 N ATOM 637 CA PRO A 42 17.985 3.234 4.656 1.00 0.00 C ATOM 638 C PRO A 42 18.737 3.035 5.969 1.00 0.00 C ATOM 639 O PRO A 42 19.635 2.198 6.056 1.00 0.00 O ATOM 640 CB PRO A 42 18.725 4.219 3.767 1.00 0.00 C ATOM 641 CG PRO A 42 18.191 5.551 4.168 1.00 0.00 C ATOM 642 CD PRO A 42 16.749 5.325 4.546 1.00 0.00 C ATOM 0 HA PRO A 42 17.889 2.234 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.803 4.160 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.541 4.018 2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.754 5.961 5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.272 6.266 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.462 5.926 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.075 5.594 3.733 1.00 0.00 H new ATOM 650 N THR A 43 18.364 3.803 6.992 1.00 0.00 N ATOM 651 CA THR A 43 19.006 3.696 8.299 1.00 0.00 C ATOM 652 C THR A 43 19.085 2.238 8.738 1.00 0.00 C ATOM 653 O THR A 43 20.018 1.831 9.431 1.00 0.00 O ATOM 654 CB THR A 43 18.236 4.512 9.339 1.00 0.00 C ATOM 655 OG1 THR A 43 17.866 5.774 8.812 1.00 0.00 O ATOM 656 CG2 THR A 43 19.020 4.758 10.610 1.00 0.00 C ATOM 0 H THR A 43 17.624 4.503 6.940 1.00 0.00 H new ATOM 0 HA THR A 43 20.018 4.093 8.217 1.00 0.00 H new ATOM 0 HB THR A 43 17.359 3.912 9.584 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.373 6.280 9.491 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.415 5.342 11.303 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.278 3.804 11.069 1.00 0.00 H new ATOM 0 HG23 THR A 43 19.932 5.306 10.374 1.00 0.00 H new ATOM 664 N ALA A 44 18.097 1.456 8.316 1.00 0.00 N ATOM 665 CA ALA A 44 18.042 0.038 8.646 1.00 0.00 C ATOM 666 C ALA A 44 17.776 -0.808 7.402 1.00 0.00 C ATOM 667 O ALA A 44 17.566 -2.017 7.497 1.00 0.00 O ATOM 668 CB ALA A 44 16.971 -0.216 9.697 1.00 0.00 C ATOM 0 H ALA A 44 17.320 1.783 7.742 1.00 0.00 H new ATOM 0 HA ALA A 44 19.011 -0.254 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.940 -1.279 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.204 0.351 10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.001 0.098 9.311 1.00 0.00 H new ATOM 674 N ASN A 45 17.779 -0.164 6.235 1.00 0.00 N ATOM 675 CA ASN A 45 17.530 -0.858 4.979 1.00 0.00 C ATOM 676 C ASN A 45 16.132 -1.460 4.986 1.00 0.00 C ATOM 677 O ASN A 45 15.942 -2.634 4.672 1.00 0.00 O ATOM 678 CB ASN A 45 18.582 -1.946 4.743 1.00 0.00 C ATOM 679 CG ASN A 45 19.281 -1.795 3.404 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.501 -1.933 3.310 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.510 -1.507 2.359 1.00 0.00 N ATOM 0 H ASN A 45 17.951 0.837 6.137 1.00 0.00 H new ATOM 0 HA ASN A 45 17.599 -0.138 4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.322 -1.911 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.105 -2.925 4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.926 -1.392 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.503 -1.401 2.482 1.00 0.00 H new ATOM 688 N SER A 46 15.158 -0.641 5.357 1.00 0.00 N ATOM 689 CA SER A 46 13.769 -1.084 5.419 1.00 0.00 C ATOM 690 C SER A 46 12.842 -0.078 4.746 1.00 0.00 C ATOM 691 O SER A 46 13.166 1.104 4.638 1.00 0.00 O ATOM 692 CB SER A 46 13.343 -1.291 6.874 1.00 0.00 C ATOM 693 OG SER A 46 11.944 -1.496 6.972 1.00 0.00 O ATOM 0 H SER A 46 15.302 0.334 5.620 1.00 0.00 H new ATOM 0 HA SER A 46 13.694 -2.031 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.870 -2.149 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.629 -0.422 7.467 1.00 0.00 H new ATOM 0 HG SER A 46 11.698 -1.627 7.911 1.00 0.00 H new ATOM 699 N PHE A 47 11.684 -0.555 4.294 1.00 0.00 N ATOM 700 CA PHE A 47 10.712 0.305 3.633 1.00 0.00 C ATOM 701 C PHE A 47 9.391 0.307 4.392 1.00 0.00 C ATOM 702 O PHE A 47 9.226 -0.428 5.366 1.00 0.00 O ATOM 703 CB PHE A 47 10.504 -0.153 2.192 1.00 0.00 C ATOM 704 CG PHE A 47 11.622 0.262 1.283 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.675 1.551 0.787 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.621 -0.629 0.934 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.705 1.948 -0.043 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.655 -0.241 0.103 1.00 0.00 C ATOM 709 CZ PHE A 47 13.697 1.050 -0.386 1.00 0.00 C ATOM 0 H PHE A 47 11.399 -1.531 4.374 1.00 0.00 H new ATOM 0 HA PHE A 47 11.097 1.325 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.409 -1.239 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.566 0.257 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.901 2.257 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.593 -1.639 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.735 2.958 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.429 -0.946 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.504 1.357 -1.035 1.00 0.00 H new ATOM 719 N ARG A 48 8.452 1.138 3.953 1.00 0.00 N ATOM 720 CA ARG A 48 7.156 1.226 4.616 1.00 0.00 C ATOM 721 C ARG A 48 6.123 1.933 3.745 1.00 0.00 C ATOM 722 O ARG A 48 6.464 2.770 2.911 1.00 0.00 O ATOM 723 CB ARG A 48 7.304 1.966 5.947 1.00 0.00 C ATOM 724 CG ARG A 48 6.017 2.066 6.746 1.00 0.00 C ATOM 725 CD ARG A 48 6.290 2.042 8.242 1.00 0.00 C ATOM 726 NE ARG A 48 5.178 1.469 8.997 1.00 0.00 N ATOM 727 CZ ARG A 48 5.204 1.264 10.312 1.00 0.00 C ATOM 728 NH1 ARG A 48 6.282 1.582 11.020 1.00 0.00 N ATOM 729 NH2 ARG A 48 4.149 0.742 10.924 1.00 0.00 N ATOM 0 H ARG A 48 8.562 1.755 3.148 1.00 0.00 H new ATOM 0 HA ARG A 48 6.803 0.210 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.056 1.458 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.677 2.971 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.495 2.986 6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.357 1.239 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.194 1.464 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.479 3.057 8.591 1.00 0.00 H new ATOM 0 HE ARG A 48 4.333 1.211 8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.096 1.986 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.296 1.423 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.317 0.497 10.387 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.170 0.585 11.932 1.00 0.00 H new ATOM 743 N VAL A 49 4.857 1.593 3.960 1.00 0.00 N ATOM 744 CA VAL A 49 3.762 2.193 3.215 1.00 0.00 C ATOM 745 C VAL A 49 2.902 3.048 4.142 1.00 0.00 C ATOM 746 O VAL A 49 2.631 2.664 5.279 1.00 0.00 O ATOM 747 CB VAL A 49 2.882 1.118 2.545 1.00 0.00 C ATOM 748 CG1 VAL A 49 2.392 0.110 3.573 1.00 0.00 C ATOM 749 CG2 VAL A 49 1.710 1.756 1.811 1.00 0.00 C ATOM 0 H VAL A 49 4.565 0.900 4.649 1.00 0.00 H new ATOM 0 HA VAL A 49 4.196 2.819 2.435 1.00 0.00 H new ATOM 0 HB VAL A 49 3.490 0.589 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.773 -0.640 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.247 -0.376 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.804 0.623 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.104 0.978 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.100 2.317 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.086 2.430 1.042 1.00 0.00 H new ATOM 759 N VAL A 50 2.482 4.208 3.655 1.00 0.00 N ATOM 760 CA VAL A 50 1.660 5.111 4.450 1.00 0.00 C ATOM 761 C VAL A 50 0.700 5.891 3.563 1.00 0.00 C ATOM 762 O VAL A 50 1.121 6.620 2.666 1.00 0.00 O ATOM 763 CB VAL A 50 2.520 6.105 5.256 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.748 6.620 6.460 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.829 5.461 5.695 1.00 0.00 C ATOM 0 H VAL A 50 2.696 4.545 2.716 1.00 0.00 H new ATOM 0 HA VAL A 50 1.095 4.492 5.147 1.00 0.00 H new ATOM 0 HB VAL A 50 2.759 6.950 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.369 7.320 7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.843 7.126 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.477 5.783 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.417 6.183 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.616 4.595 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.391 5.144 4.817 1.00 0.00 H new ATOM 775 N GLY A 51 -0.594 5.731 3.817 1.00 0.00 N ATOM 776 CA GLY A 51 -1.590 6.425 3.025 1.00 0.00 C ATOM 777 C GLY A 51 -2.751 6.929 3.854 1.00 0.00 C ATOM 778 O GLY A 51 -3.147 6.296 4.832 1.00 0.00 O ATOM 0 H GLY A 51 -0.969 5.135 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.121 7.267 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.965 5.754 2.252 1.00 0.00 H new ATOM 782 N ARG A 52 -3.298 8.072 3.456 1.00 0.00 N ATOM 783 CA ARG A 52 -4.425 8.669 4.160 1.00 0.00 C ATOM 784 C ARG A 52 -5.630 8.804 3.237 1.00 0.00 C ATOM 785 O ARG A 52 -5.487 8.847 2.016 1.00 0.00 O ATOM 786 CB ARG A 52 -4.043 10.042 4.719 1.00 0.00 C ATOM 787 CG ARG A 52 -3.200 10.874 3.765 1.00 0.00 C ATOM 788 CD ARG A 52 -3.624 12.335 3.768 1.00 0.00 C ATOM 789 NE ARG A 52 -4.017 12.794 2.438 1.00 0.00 N ATOM 790 CZ ARG A 52 -4.067 14.075 2.080 1.00 0.00 C ATOM 791 NH1 ARG A 52 -3.752 15.027 2.950 1.00 0.00 N ATOM 792 NH2 ARG A 52 -4.434 14.406 0.849 1.00 0.00 N ATOM 0 H ARG A 52 -2.978 8.604 2.647 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.691 8.011 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.952 10.592 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.495 9.906 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.150 10.799 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.288 10.472 2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.457 12.469 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.803 12.950 4.136 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.268 12.091 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.470 14.778 3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.792 16.007 2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.678 13.679 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.472 15.388 0.575 1.00 0.00 H new ATOM 806 N LYS A 53 -6.817 8.875 3.829 1.00 0.00 N ATOM 807 CA LYS A 53 -8.045 9.008 3.059 1.00 0.00 C ATOM 808 C LYS A 53 -8.281 10.463 2.672 1.00 0.00 C ATOM 809 O LYS A 53 -7.708 11.375 3.268 1.00 0.00 O ATOM 810 CB LYS A 53 -9.234 8.488 3.865 1.00 0.00 C ATOM 811 CG LYS A 53 -10.321 7.850 3.016 1.00 0.00 C ATOM 812 CD LYS A 53 -10.132 6.345 2.911 1.00 0.00 C ATOM 813 CE LYS A 53 -10.920 5.610 3.983 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.566 4.165 4.042 1.00 0.00 N ATOM 0 H LYS A 53 -6.953 8.843 4.839 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.944 8.416 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.877 7.757 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.666 9.314 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.297 8.066 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.311 8.290 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.451 6.005 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.073 6.102 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.730 6.070 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.987 5.714 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.435 3.596 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.031 3.904 3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.984 3.984 4.885 1.00 0.00 H new ATOM 828 N MET A 54 -9.129 10.675 1.674 1.00 0.00 N ATOM 829 CA MET A 54 -9.441 12.020 1.212 1.00 0.00 C ATOM 830 C MET A 54 -10.702 12.542 1.893 1.00 0.00 C ATOM 831 O MET A 54 -11.587 13.102 1.246 1.00 0.00 O ATOM 832 CB MET A 54 -9.615 12.031 -0.307 1.00 0.00 C ATOM 833 CG MET A 54 -8.536 11.250 -1.042 1.00 0.00 C ATOM 834 SD MET A 54 -7.480 12.305 -2.055 1.00 0.00 S ATOM 835 CE MET A 54 -7.158 11.225 -3.446 1.00 0.00 C ATOM 0 H MET A 54 -9.613 9.932 1.169 1.00 0.00 H new ATOM 0 HA MET A 54 -8.611 12.676 1.474 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.590 11.613 -0.557 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.610 13.063 -0.659 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.921 10.717 -0.317 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.006 10.498 -1.676 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.425 11.735 -4.372 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.100 10.965 -3.467 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.753 10.317 -3.347 1.00 0.00 H new ATOM 845 N GLN A 55 -10.772 12.348 3.205 1.00 0.00 N ATOM 846 CA GLN A 55 -11.920 12.792 3.986 1.00 0.00 C ATOM 847 C GLN A 55 -11.669 14.167 4.589 1.00 0.00 C ATOM 848 O GLN A 55 -10.527 14.622 4.666 1.00 0.00 O ATOM 849 CB GLN A 55 -12.212 11.795 5.110 1.00 0.00 C ATOM 850 CG GLN A 55 -12.520 10.397 4.614 1.00 0.00 C ATOM 851 CD GLN A 55 -13.160 9.527 5.676 1.00 0.00 C ATOM 852 OE1 GLN A 55 -14.259 9.815 6.152 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.476 8.453 6.053 1.00 0.00 N ATOM 0 H GLN A 55 -10.045 11.885 3.751 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.778 12.851 3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.353 11.753 5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.056 12.158 5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.185 10.460 3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.598 9.926 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.569 8.252 5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.858 7.829 6.763 1.00 0.00 H new ATOM 862 N PRO A 56 -12.735 14.843 5.048 1.00 0.00 N ATOM 863 CA PRO A 56 -12.617 16.162 5.668 1.00 0.00 C ATOM 864 C PRO A 56 -11.736 16.119 6.912 1.00 0.00 C ATOM 865 O PRO A 56 -11.266 17.151 7.389 1.00 0.00 O ATOM 866 CB PRO A 56 -14.058 16.523 6.045 1.00 0.00 C ATOM 867 CG PRO A 56 -14.915 15.633 5.211 1.00 0.00 C ATOM 868 CD PRO A 56 -14.128 14.370 5.018 1.00 0.00 C ATOM 0 HA PRO A 56 -12.153 16.889 5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.239 16.361 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.267 17.573 5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.865 15.430 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.147 16.099 4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.326 13.646 5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.369 13.884 4.073 1.00 0.00 H new ATOM 876 N ASP A 57 -11.516 14.911 7.433 1.00 0.00 N ATOM 877 CA ASP A 57 -10.692 14.730 8.621 1.00 0.00 C ATOM 878 C ASP A 57 -9.322 14.164 8.256 1.00 0.00 C ATOM 879 O ASP A 57 -8.326 14.454 8.917 1.00 0.00 O ATOM 880 CB ASP A 57 -11.390 13.800 9.616 1.00 0.00 C ATOM 881 CG ASP A 57 -12.353 14.540 10.522 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.447 14.915 10.049 1.00 0.00 O ATOM 883 OD2 ASP A 57 -12.016 14.745 11.707 1.00 0.00 O ATOM 0 H ASP A 57 -11.898 14.047 7.049 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.550 15.707 9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.931 13.028 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.640 13.294 10.224 1.00 0.00 H new ATOM 888 N GLN A 58 -9.278 13.352 7.200 1.00 0.00 N ATOM 889 CA GLN A 58 -8.027 12.747 6.756 1.00 0.00 C ATOM 890 C GLN A 58 -7.497 11.772 7.803 1.00 0.00 C ATOM 891 O GLN A 58 -7.195 12.162 8.932 1.00 0.00 O ATOM 892 CB GLN A 58 -6.983 13.831 6.469 1.00 0.00 C ATOM 893 CG GLN A 58 -6.463 13.810 5.040 1.00 0.00 C ATOM 894 CD GLN A 58 -7.206 14.774 4.138 1.00 0.00 C ATOM 895 OE1 GLN A 58 -7.951 14.363 3.248 1.00 0.00 O ATOM 896 NE2 GLN A 58 -7.005 16.068 4.362 1.00 0.00 N ATOM 0 H GLN A 58 -10.092 13.100 6.639 1.00 0.00 H new ATOM 0 HA GLN A 58 -8.223 12.194 5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.420 14.808 6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.144 13.707 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.402 14.061 5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.552 12.800 4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.379 16.365 5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.477 16.765 3.785 1.00 0.00 H new ATOM 905 N GLN A 59 -7.390 10.504 7.422 1.00 0.00 N ATOM 906 CA GLN A 59 -6.900 9.472 8.329 1.00 0.00 C ATOM 907 C GLN A 59 -6.053 8.448 7.582 1.00 0.00 C ATOM 908 O GLN A 59 -6.356 8.094 6.442 1.00 0.00 O ATOM 909 CB GLN A 59 -8.075 8.776 9.020 1.00 0.00 C ATOM 910 CG GLN A 59 -8.887 7.881 8.098 1.00 0.00 C ATOM 911 CD GLN A 59 -10.293 7.637 8.614 1.00 0.00 C ATOM 912 OE1 GLN A 59 -10.983 8.566 9.031 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.724 6.381 8.586 1.00 0.00 N ATOM 0 H GLN A 59 -7.636 10.166 6.492 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.274 9.950 9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.695 8.179 9.849 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.733 9.533 9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.940 8.337 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.375 6.926 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.117 5.641 8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.662 6.156 8.919 1.00 0.00 H new ATOM 922 N VAL A 60 -4.994 7.973 8.230 1.00 0.00 N ATOM 923 CA VAL A 60 -4.112 6.988 7.619 1.00 0.00 C ATOM 924 C VAL A 60 -4.799 5.631 7.517 1.00 0.00 C ATOM 925 O VAL A 60 -5.207 5.053 8.526 1.00 0.00 O ATOM 926 CB VAL A 60 -2.791 6.842 8.403 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.137 8.201 8.595 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.021 6.157 9.746 1.00 0.00 C ATOM 0 H VAL A 60 -4.728 8.253 9.174 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.879 7.347 6.617 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.118 6.213 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.206 8.082 9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.925 8.644 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.810 8.853 9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.073 6.068 10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.716 6.749 10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.439 5.164 9.581 1.00 0.00 H new ATOM 938 N VAL A 61 -4.927 5.129 6.296 1.00 0.00 N ATOM 939 CA VAL A 61 -5.569 3.842 6.064 1.00 0.00 C ATOM 940 C VAL A 61 -4.540 2.711 6.018 1.00 0.00 C ATOM 941 O VAL A 61 -4.883 1.541 6.181 1.00 0.00 O ATOM 942 CB VAL A 61 -6.393 3.851 4.756 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.254 5.103 4.675 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.486 3.745 3.539 1.00 0.00 C ATOM 0 H VAL A 61 -4.595 5.593 5.451 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.246 3.667 6.900 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.049 2.981 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.827 5.091 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.938 5.130 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.615 5.986 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.091 3.754 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.797 4.590 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.919 2.816 3.588 1.00 0.00 H new ATOM 954 N ILE A 62 -3.276 3.071 5.805 1.00 0.00 N ATOM 955 CA ILE A 62 -2.199 2.090 5.747 1.00 0.00 C ATOM 956 C ILE A 62 -0.958 2.623 6.451 1.00 0.00 C ATOM 957 O ILE A 62 -0.605 3.791 6.302 1.00 0.00 O ATOM 958 CB ILE A 62 -1.841 1.716 4.291 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.907 0.504 4.265 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.199 2.894 3.571 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.061 -0.348 3.024 1.00 0.00 C ATOM 0 H ILE A 62 -2.974 4.036 5.670 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.553 1.192 6.253 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.763 1.458 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.125 0.848 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.097 -0.111 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.956 2.607 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.894 3.734 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.287 3.186 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.369 -1.189 3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.083 -0.722 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.842 0.252 2.141 1.00 0.00 H new ATOM 973 N ASN A 63 -0.307 1.767 7.225 1.00 0.00 N ATOM 974 CA ASN A 63 0.888 2.167 7.955 1.00 0.00 C ATOM 975 C ASN A 63 1.673 0.946 8.423 1.00 0.00 C ATOM 976 O ASN A 63 1.728 0.649 9.617 1.00 0.00 O ATOM 977 CB ASN A 63 0.498 3.040 9.149 1.00 0.00 C ATOM 978 CG ASN A 63 -0.479 2.347 10.079 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.661 1.132 10.012 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.115 3.119 10.952 1.00 0.00 N ATOM 0 H ASN A 63 -0.584 0.795 7.364 1.00 0.00 H new ATOM 0 HA ASN A 63 1.528 2.743 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.395 3.311 9.706 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.055 3.968 8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.785 2.709 11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.933 4.122 10.973 1.00 0.00 H new ATOM 987 N CYS A 64 2.280 0.239 7.474 1.00 0.00 N ATOM 988 CA CYS A 64 3.061 -0.953 7.788 1.00 0.00 C ATOM 989 C CYS A 64 4.388 -0.952 7.037 1.00 0.00 C ATOM 990 O CYS A 64 4.434 -0.674 5.838 1.00 0.00 O ATOM 991 CB CYS A 64 2.267 -2.213 7.441 1.00 0.00 C ATOM 992 SG CYS A 64 2.591 -3.614 8.538 1.00 0.00 S ATOM 0 H CYS A 64 2.246 0.471 6.481 1.00 0.00 H new ATOM 0 HA CYS A 64 3.272 -0.946 8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.203 -1.979 7.472 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.499 -2.506 6.417 1.00 0.00 H new ATOM 0 HG CYS A 64 1.872 -4.631 8.166 1.00 0.00 H new ATOM 998 N ALA A 65 5.467 -1.266 7.748 1.00 0.00 N ATOM 999 CA ALA A 65 6.796 -1.303 7.148 1.00 0.00 C ATOM 1000 C ALA A 65 6.991 -2.566 6.315 1.00 0.00 C ATOM 1001 O ALA A 65 6.641 -3.664 6.748 1.00 0.00 O ATOM 1002 CB ALA A 65 7.867 -1.216 8.227 1.00 0.00 C ATOM 0 H ALA A 65 5.447 -1.499 8.741 1.00 0.00 H new ATOM 0 HA ALA A 65 6.888 -0.442 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.853 -1.245 7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.752 -0.283 8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.763 -2.058 8.912 1.00 0.00 H new ATOM 1008 N ILE A 66 7.558 -2.408 5.121 1.00 0.00 N ATOM 1009 CA ILE A 66 7.800 -3.546 4.242 1.00 0.00 C ATOM 1010 C ILE A 66 9.283 -3.874 4.168 1.00 0.00 C ATOM 1011 O ILE A 66 10.129 -3.082 4.583 1.00 0.00 O ATOM 1012 CB ILE A 66 7.279 -3.303 2.814 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.647 -1.905 2.326 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.773 -3.511 2.754 1.00 0.00 C ATOM 1015 CD1 ILE A 66 8.004 -1.879 0.858 1.00 0.00 C ATOM 0 H ILE A 66 7.856 -1.509 4.743 1.00 0.00 H new ATOM 0 HA ILE A 66 7.254 -4.384 4.675 1.00 0.00 H new ATOM 0 HB ILE A 66 7.756 -4.026 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.811 -1.229 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.489 -1.531 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.422 -3.335 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.535 -4.533 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.282 -2.814 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.257 -0.861 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.859 -2.532 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.154 -2.226 0.271 1.00 0.00 H new ATOM 1027 N VAL A 67 9.587 -5.048 3.634 1.00 0.00 N ATOM 1028 CA VAL A 67 10.964 -5.496 3.497 1.00 0.00 C ATOM 1029 C VAL A 67 11.073 -6.569 2.420 1.00 0.00 C ATOM 1030 O VAL A 67 10.101 -6.863 1.724 1.00 0.00 O ATOM 1031 CB VAL A 67 11.504 -6.052 4.830 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.693 -4.930 5.842 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.570 -7.120 5.376 1.00 0.00 C ATOM 0 H VAL A 67 8.894 -5.711 3.287 1.00 0.00 H new ATOM 0 HA VAL A 67 11.563 -4.632 3.209 1.00 0.00 H new ATOM 0 HB VAL A 67 12.476 -6.509 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.075 -5.343 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.403 -4.202 5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.736 -4.441 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.965 -7.502 6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.583 -6.689 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.491 -7.936 4.658 1.00 0.00 H new ATOM 1043 N ARG A 68 12.255 -7.157 2.289 1.00 0.00 N ATOM 1044 CA ARG A 68 12.479 -8.201 1.299 1.00 0.00 C ATOM 1045 C ARG A 68 11.565 -9.392 1.573 1.00 0.00 C ATOM 1046 O ARG A 68 11.951 -10.330 2.273 1.00 0.00 O ATOM 1047 CB ARG A 68 13.945 -8.646 1.323 1.00 0.00 C ATOM 1048 CG ARG A 68 14.215 -9.931 0.553 1.00 0.00 C ATOM 1049 CD ARG A 68 14.767 -11.021 1.459 1.00 0.00 C ATOM 1050 NE ARG A 68 14.576 -12.355 0.892 1.00 0.00 N ATOM 1051 CZ ARG A 68 15.250 -12.815 -0.160 1.00 0.00 C ATOM 1052 NH1 ARG A 68 16.156 -12.056 -0.761 1.00 0.00 N ATOM 1053 NH2 ARG A 68 15.015 -14.040 -0.611 1.00 0.00 N ATOM 0 H ARG A 68 13.072 -6.929 2.855 1.00 0.00 H new ATOM 0 HA ARG A 68 12.249 -7.802 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.563 -7.849 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.255 -8.783 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.293 -10.277 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.923 -9.732 -0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.830 -10.848 1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.277 -10.967 2.431 1.00 0.00 H new ATOM 0 HE ARG A 68 13.887 -12.968 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.340 -11.113 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.669 -12.415 -1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.319 -14.628 -0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.530 -14.394 -1.417 1.00 0.00 H new ATOM 1067 N GLY A 69 10.355 -9.354 1.025 1.00 0.00 N ATOM 1068 CA GLY A 69 9.424 -10.446 1.240 1.00 0.00 C ATOM 1069 C GLY A 69 8.080 -10.230 0.573 1.00 0.00 C ATOM 1070 O GLY A 69 7.443 -11.190 0.137 1.00 0.00 O ATOM 0 H GLY A 69 10.005 -8.594 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.864 -11.369 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.273 -10.579 2.311 1.00 0.00 H new ATOM 1074 N VAL A 70 7.635 -8.979 0.494 1.00 0.00 N ATOM 1075 CA VAL A 70 6.350 -8.681 -0.124 1.00 0.00 C ATOM 1076 C VAL A 70 6.483 -8.555 -1.639 1.00 0.00 C ATOM 1077 O VAL A 70 7.351 -7.843 -2.142 1.00 0.00 O ATOM 1078 CB VAL A 70 5.729 -7.394 0.469 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.779 -6.729 -0.510 1.00 0.00 C ATOM 1080 CG2 VAL A 70 4.995 -7.708 1.759 1.00 0.00 C ATOM 0 H VAL A 70 8.139 -8.165 0.846 1.00 0.00 H new ATOM 0 HA VAL A 70 5.683 -9.515 0.094 1.00 0.00 H new ATOM 0 HB VAL A 70 6.546 -6.702 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.363 -5.829 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.320 -6.463 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.971 -7.418 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.564 -6.793 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.200 -8.427 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.693 -8.131 2.481 1.00 0.00 H new ATOM 1090 N LYS A 71 5.608 -9.252 -2.356 1.00 0.00 N ATOM 1091 CA LYS A 71 5.610 -9.222 -3.814 1.00 0.00 C ATOM 1092 C LYS A 71 4.300 -8.642 -4.336 1.00 0.00 C ATOM 1093 O LYS A 71 3.276 -9.324 -4.363 1.00 0.00 O ATOM 1094 CB LYS A 71 5.821 -10.628 -4.376 1.00 0.00 C ATOM 1095 CG LYS A 71 6.403 -10.642 -5.782 1.00 0.00 C ATOM 1096 CD LYS A 71 5.537 -11.445 -6.740 1.00 0.00 C ATOM 1097 CE LYS A 71 6.382 -12.252 -7.713 1.00 0.00 C ATOM 1098 NZ LYS A 71 6.616 -11.518 -8.988 1.00 0.00 N ATOM 0 H LYS A 71 4.886 -9.847 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 71 6.431 -8.586 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.486 -11.180 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.867 -11.155 -4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.498 -9.619 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.407 -11.066 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.892 -12.116 -6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.885 -10.770 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.340 -12.490 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.886 -13.199 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.196 -12.102 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.704 -11.313 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.112 -10.626 -8.789 1.00 0.00 H new ATOM 1112 N TYR A 72 4.341 -7.378 -4.742 1.00 0.00 N ATOM 1113 CA TYR A 72 3.158 -6.696 -5.259 1.00 0.00 C ATOM 1114 C TYR A 72 2.430 -7.553 -6.292 1.00 0.00 C ATOM 1115 O TYR A 72 2.892 -7.710 -7.423 1.00 0.00 O ATOM 1116 CB TYR A 72 3.557 -5.351 -5.871 1.00 0.00 C ATOM 1117 CG TYR A 72 3.253 -4.162 -4.985 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.201 -4.295 -3.602 1.00 0.00 C ATOM 1119 CD2 TYR A 72 3.017 -2.907 -5.532 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.922 -3.215 -2.791 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.738 -1.818 -4.727 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.691 -1.977 -3.357 1.00 0.00 C ATOM 1123 OH TYR A 72 2.412 -0.897 -2.551 1.00 0.00 O ATOM 0 H TYR A 72 5.183 -6.802 -4.723 1.00 0.00 H new ATOM 0 HA TYR A 72 2.474 -6.524 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.625 -5.365 -6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.038 -5.226 -6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.382 -5.261 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.052 -2.780 -6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.884 -3.337 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.558 -0.849 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 72 1.686 -0.372 -2.947 1.00 0.00 H new ATOM 1133 N ASN A 73 1.289 -8.106 -5.892 1.00 0.00 N ATOM 1134 CA ASN A 73 0.492 -8.949 -6.776 1.00 0.00 C ATOM 1135 C ASN A 73 -0.642 -8.154 -7.414 1.00 0.00 C ATOM 1136 O ASN A 73 -1.697 -7.965 -6.809 1.00 0.00 O ATOM 1137 CB ASN A 73 -0.075 -10.141 -6.001 1.00 0.00 C ATOM 1138 CG ASN A 73 0.467 -11.467 -6.500 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.242 -12.132 -5.814 1.00 0.00 O ATOM 1140 ND2 ASN A 73 0.059 -11.858 -7.702 1.00 0.00 N ATOM 0 H ASN A 73 0.895 -7.985 -4.959 1.00 0.00 H new ATOM 0 HA ASN A 73 1.142 -9.316 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.163 -10.029 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.162 -10.141 -6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.389 -12.741 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.585 -11.275 -8.237 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.419 -7.691 -8.639 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.426 -6.918 -9.358 1.00 0.00 C ATOM 1149 C GLN A 74 -2.635 -7.784 -9.695 1.00 0.00 C ATOM 1150 O GLN A 74 -2.698 -8.391 -10.763 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.830 -6.331 -10.638 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.717 -5.286 -11.297 1.00 0.00 C ATOM 1153 CD GLN A 74 -2.094 -5.653 -12.719 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -1.445 -5.226 -13.676 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -3.148 -6.447 -12.867 1.00 0.00 N ATOM 0 H GLN A 74 0.449 -7.837 -9.155 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.754 -6.103 -8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.136 -5.882 -10.407 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.645 -7.138 -11.347 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.624 -5.160 -10.706 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.201 -4.326 -11.298 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.657 -6.778 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.449 -6.726 -13.801 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.594 -7.834 -8.775 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.804 -8.625 -8.972 1.00 0.00 C ATOM 1166 C ALA A 75 -5.532 -8.204 -10.244 1.00 0.00 C ATOM 1167 O ALA A 75 -5.927 -9.045 -11.053 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.723 -8.488 -7.767 1.00 0.00 C ATOM 0 H ALA A 75 -3.556 -7.336 -7.886 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.514 -9.670 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.622 -9.083 -7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.207 -8.841 -6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.998 -7.441 -7.637 1.00 0.00 H new ATOM 1174 N THR A 76 -5.704 -6.898 -10.415 1.00 0.00 N ATOM 1175 CA THR A 76 -6.381 -6.360 -11.588 1.00 0.00 C ATOM 1176 C THR A 76 -5.626 -5.157 -12.143 1.00 0.00 C ATOM 1177 O THR A 76 -4.792 -4.567 -11.455 1.00 0.00 O ATOM 1178 CB THR A 76 -7.816 -5.960 -11.239 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.836 -4.733 -10.533 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.540 -6.987 -10.397 1.00 0.00 C ATOM 0 H THR A 76 -5.383 -6.191 -9.754 1.00 0.00 H new ATOM 0 HA THR A 76 -6.406 -7.137 -12.352 1.00 0.00 H new ATOM 0 HB THR A 76 -8.331 -5.875 -12.196 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.759 -4.413 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.551 -6.638 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.587 -7.933 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.004 -7.131 -9.459 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.909 -4.772 -13.398 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.250 -3.630 -14.042 1.00 0.00 C ATOM 1190 C PRO A 77 -5.305 -2.367 -13.187 1.00 0.00 C ATOM 1191 O PRO A 77 -4.483 -1.464 -13.349 1.00 0.00 O ATOM 1192 CB PRO A 77 -6.054 -3.440 -15.330 1.00 0.00 C ATOM 1193 CG PRO A 77 -6.613 -4.787 -15.627 1.00 0.00 C ATOM 1194 CD PRO A 77 -6.890 -5.420 -14.291 1.00 0.00 C ATOM 0 HA PRO A 77 -4.188 -3.812 -14.207 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.846 -2.703 -15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.421 -3.085 -16.144 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.525 -4.710 -16.220 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.907 -5.385 -16.204 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.914 -5.237 -13.964 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.753 -6.501 -14.322 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.275 -2.304 -12.280 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.428 -1.145 -11.409 1.00 0.00 C ATOM 1204 C ASN A 78 -6.674 -1.573 -9.961 1.00 0.00 C ATOM 1205 O ASN A 78 -7.580 -1.068 -9.297 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.578 -0.263 -11.905 1.00 0.00 C ATOM 1207 CG ASN A 78 -7.129 1.153 -12.210 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -6.602 1.431 -13.286 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -7.339 2.058 -11.260 1.00 0.00 N ATOM 0 H ASN A 78 -6.965 -3.040 -12.130 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.501 -0.572 -11.438 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.011 -0.705 -12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.364 -0.238 -11.151 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.060 3.028 -11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.780 1.783 -10.382 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.859 -2.505 -9.474 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.992 -2.993 -8.106 1.00 0.00 C ATOM 1218 C PHE A 79 -4.730 -3.720 -7.650 1.00 0.00 C ATOM 1219 O PHE A 79 -4.294 -4.682 -8.283 1.00 0.00 O ATOM 1220 CB PHE A 79 -7.198 -3.928 -7.994 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.743 -4.047 -6.598 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -7.063 -4.771 -5.632 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.937 -3.435 -6.255 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -7.564 -4.882 -4.349 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -9.442 -3.541 -4.973 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.756 -4.265 -4.018 1.00 0.00 C ATOM 0 H PHE A 79 -5.102 -2.936 -10.005 1.00 0.00 H new ATOM 0 HA PHE A 79 -6.141 -2.130 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.988 -3.568 -8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.913 -4.918 -8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.131 -5.254 -5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.479 -2.869 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.025 -5.450 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -10.373 -3.057 -4.718 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.149 -4.349 -3.016 1.00 0.00 H new ATOM 1236 N HIS A 80 -4.155 -3.261 -6.542 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.950 -3.874 -5.996 1.00 0.00 C ATOM 1238 C HIS A 80 -3.302 -4.838 -4.868 1.00 0.00 C ATOM 1239 O HIS A 80 -4.457 -4.916 -4.447 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.986 -2.805 -5.490 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.904 -2.484 -6.470 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.220 -1.764 -6.137 1.00 0.00 N ATOM 1243 CD2 HIS A 80 -0.785 -2.778 -7.788 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.984 -1.624 -7.205 1.00 0.00 C ATOM 1245 NE2 HIS A 80 0.398 -2.231 -8.221 1.00 0.00 N ATOM 0 H HIS A 80 -4.505 -2.467 -6.006 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.463 -4.434 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.545 -1.897 -5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.535 -3.142 -4.557 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.431 -1.396 -5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.489 -3.338 -8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.928 -1.101 -7.241 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.307 -5.575 -4.381 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.530 -6.535 -3.304 1.00 0.00 C ATOM 1256 C GLN A 81 -1.251 -7.301 -2.974 1.00 0.00 C ATOM 1257 O GLN A 81 -0.709 -8.011 -3.820 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.646 -7.512 -3.699 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.716 -8.760 -2.830 1.00 0.00 C ATOM 1260 CD GLN A 81 -3.226 -10.001 -3.551 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -3.937 -10.577 -4.374 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -2.004 -10.421 -3.242 1.00 0.00 N ATOM 0 H GLN A 81 -1.344 -5.526 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.831 -5.985 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.603 -6.993 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.501 -7.813 -4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.118 -8.607 -1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.745 -8.915 -2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.449 -9.913 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.621 -11.252 -3.693 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.781 -7.162 -1.736 1.00 0.00 N ATOM 1272 CA TRP A 82 0.432 -7.861 -1.307 1.00 0.00 C ATOM 1273 C TRP A 82 0.255 -8.525 0.052 1.00 0.00 C ATOM 1274 O TRP A 82 -0.296 -7.934 0.980 1.00 0.00 O ATOM 1275 CB TRP A 82 1.630 -6.913 -1.235 1.00 0.00 C ATOM 1276 CG TRP A 82 1.417 -5.725 -0.349 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.780 -5.607 0.962 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.801 -4.486 -0.710 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.430 -4.367 1.437 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.828 -3.661 0.430 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.231 -3.992 -1.887 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.307 -2.370 0.427 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.286 -2.712 -1.888 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.243 -1.913 -0.738 1.00 0.00 C ATOM 0 H TRP A 82 -1.214 -6.580 -1.019 1.00 0.00 H new ATOM 0 HA TRP A 82 0.619 -8.629 -2.058 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.498 -7.468 -0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.865 -6.565 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.270 -6.376 1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.592 -4.027 2.385 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.196 -4.600 -2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.336 -1.752 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.731 -2.320 -2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.653 -0.915 -0.773 1.00 0.00 H new ATOM 1295 N ARG A 83 0.759 -9.749 0.164 1.00 0.00 N ATOM 1296 CA ARG A 83 0.697 -10.498 1.411 1.00 0.00 C ATOM 1297 C ARG A 83 2.048 -10.423 2.114 1.00 0.00 C ATOM 1298 O ARG A 83 3.030 -11.005 1.652 1.00 0.00 O ATOM 1299 CB ARG A 83 0.325 -11.957 1.140 1.00 0.00 C ATOM 1300 CG ARG A 83 -0.138 -12.710 2.377 1.00 0.00 C ATOM 1301 CD ARG A 83 1.033 -13.326 3.125 1.00 0.00 C ATOM 1302 NE ARG A 83 1.740 -14.315 2.315 1.00 0.00 N ATOM 1303 CZ ARG A 83 2.608 -15.196 2.809 1.00 0.00 C ATOM 1304 NH1 ARG A 83 2.876 -15.215 4.109 1.00 0.00 N ATOM 1305 NH2 ARG A 83 3.209 -16.059 2.002 1.00 0.00 N ATOM 0 H ARG A 83 1.218 -10.245 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.070 -10.062 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.465 -11.988 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.188 -12.470 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.676 -12.030 3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.838 -13.493 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.726 -12.540 3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.672 -13.797 4.039 1.00 0.00 H new ATOM 0 HE ARG A 83 1.558 -14.332 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.416 -14.553 4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.542 -15.892 4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.007 -16.048 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.874 -16.734 2.381 1.00 0.00 H new ATOM 1319 N ASP A 84 2.104 -9.682 3.215 1.00 0.00 N ATOM 1320 CA ASP A 84 3.352 -9.514 3.949 1.00 0.00 C ATOM 1321 C ASP A 84 3.486 -10.541 5.081 1.00 0.00 C ATOM 1322 O ASP A 84 3.820 -11.698 4.832 1.00 0.00 O ATOM 1323 CB ASP A 84 3.455 -8.080 4.481 1.00 0.00 C ATOM 1324 CG ASP A 84 4.685 -7.857 5.341 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.801 -7.807 4.781 1.00 0.00 O ATOM 1326 OD2 ASP A 84 4.532 -7.731 6.575 1.00 0.00 O ATOM 0 H ASP A 84 1.305 -9.191 3.617 1.00 0.00 H new ATOM 0 HA ASP A 84 4.180 -9.692 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.475 -7.386 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.563 -7.849 5.064 1.00 0.00 H new ATOM 1331 N ALA A 85 3.236 -10.120 6.322 1.00 0.00 N ATOM 1332 CA ALA A 85 3.346 -11.022 7.462 1.00 0.00 C ATOM 1333 C ALA A 85 2.376 -12.188 7.333 1.00 0.00 C ATOM 1334 O ALA A 85 2.777 -13.319 7.060 1.00 0.00 O ATOM 1335 CB ALA A 85 3.095 -10.263 8.757 1.00 0.00 C ATOM 0 H ALA A 85 2.958 -9.168 6.559 1.00 0.00 H new ATOM 0 HA ALA A 85 4.358 -11.427 7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.180 -10.947 9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.831 -9.466 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.094 -9.832 8.738 1.00 0.00 H new ATOM 1341 N ARG A 86 1.098 -11.901 7.531 1.00 0.00 N ATOM 1342 CA ARG A 86 0.058 -12.921 7.436 1.00 0.00 C ATOM 1343 C ARG A 86 -1.199 -12.373 6.762 1.00 0.00 C ATOM 1344 O ARG A 86 -2.086 -13.134 6.377 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.293 -13.460 8.826 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.478 -14.417 8.829 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.263 -15.572 9.794 1.00 0.00 C ATOM 1348 NE ARG A 86 -0.250 -16.510 9.309 1.00 0.00 N ATOM 1349 CZ ARG A 86 0.964 -16.645 9.843 1.00 0.00 C ATOM 1350 NH1 ARG A 86 1.340 -15.898 10.875 1.00 0.00 N ATOM 1351 NH2 ARG A 86 1.810 -17.532 9.337 1.00 0.00 N ATOM 0 H ARG A 86 0.753 -10.969 7.759 1.00 0.00 H new ATOM 0 HA ARG A 86 0.449 -13.734 6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.577 -13.971 9.238 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.513 -12.621 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.383 -13.875 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.634 -14.807 7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.960 -15.181 10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.205 -16.100 9.943 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.488 -17.099 8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.697 -15.211 11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.272 -16.011 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.531 -18.107 8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.740 -17.639 9.742 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.271 -11.054 6.619 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.416 -10.421 5.991 1.00 0.00 C ATOM 1367 C GLN A 87 -2.046 -9.922 4.605 1.00 0.00 C ATOM 1368 O GLN A 87 -0.925 -10.124 4.139 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.920 -9.256 6.846 1.00 0.00 C ATOM 1370 CG GLN A 87 -3.987 -9.654 7.853 1.00 0.00 C ATOM 1371 CD GLN A 87 -3.779 -9.004 9.207 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -3.942 -9.643 10.246 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.417 -7.727 9.198 1.00 0.00 N ATOM 0 H GLN A 87 -0.548 -10.406 6.931 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.212 -11.161 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.077 -8.816 7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.322 -8.483 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.968 -9.376 7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.986 -10.738 7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.294 -7.238 8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.262 -7.235 10.078 1.00 0.00 H new ATOM 1382 N VAL A 88 -2.990 -9.267 3.952 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.758 -8.736 2.619 1.00 0.00 C ATOM 1384 C VAL A 88 -3.334 -7.333 2.498 1.00 0.00 C ATOM 1385 O VAL A 88 -4.520 -7.115 2.739 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.366 -9.644 1.532 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.569 -9.537 0.243 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.422 -11.091 2.005 1.00 0.00 C ATOM 0 H VAL A 88 -3.924 -9.090 4.322 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.679 -8.699 2.466 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.385 -9.309 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.012 -10.185 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.583 -8.505 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.539 -9.844 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.855 -11.713 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.414 -11.439 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.038 -11.157 2.902 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.482 -6.380 2.142 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.905 -4.993 2.009 1.00 0.00 C ATOM 1400 C TRP A 89 -3.289 -4.667 0.571 1.00 0.00 C ATOM 1401 O TRP A 89 -2.448 -4.268 -0.235 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.790 -4.057 2.478 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.583 -4.081 3.962 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.889 -5.014 4.678 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.074 -3.128 4.911 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.921 -4.700 6.016 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.642 -3.546 6.184 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.837 -1.962 4.808 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -1.949 -2.838 7.344 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.141 -1.261 5.960 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.698 -1.699 7.212 1.00 0.00 C ATOM 0 H TRP A 89 -1.495 -6.542 1.941 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.785 -4.848 2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.859 -4.335 1.983 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.024 -3.039 2.167 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.388 -5.873 4.255 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.480 -5.238 6.762 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.183 -1.615 3.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.609 -3.175 8.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.731 -0.359 5.892 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -2.952 -1.128 8.093 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.570 -4.833 0.259 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.054 -4.547 -1.076 1.00 0.00 C ATOM 1424 C GLY A 90 -5.101 -3.062 -1.363 1.00 0.00 C ATOM 1425 O GLY A 90 -5.025 -2.247 -0.446 1.00 0.00 O ATOM 0 H GLY A 90 -5.283 -5.162 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.409 -5.036 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.051 -4.970 -1.197 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.223 -2.709 -2.636 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.274 -1.308 -3.034 1.00 0.00 C ATOM 1431 C LEU A 91 -6.098 -1.126 -4.303 1.00 0.00 C ATOM 1432 O LEU A 91 -5.661 -1.494 -5.392 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.858 -0.767 -3.269 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.364 0.260 -2.249 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -4.377 1.380 -2.077 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.064 -0.412 -0.916 1.00 0.00 C ATOM 0 H LEU A 91 -5.288 -3.371 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.748 -0.753 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.164 -1.608 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.821 -0.315 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.439 0.699 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.004 2.099 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.532 1.881 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.322 0.965 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.714 0.334 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.970 -0.882 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.293 -1.170 -1.056 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.278 -0.536 -4.166 1.00 0.00 N ATOM 1449 CA ASN A 92 -8.128 -0.293 -5.326 1.00 0.00 C ATOM 1450 C ASN A 92 -7.854 1.096 -5.881 1.00 0.00 C ATOM 1451 O ASN A 92 -8.300 2.102 -5.332 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.609 -0.420 -4.972 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.470 -0.754 -6.181 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.472 -1.459 -6.060 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -10.089 -0.253 -7.360 1.00 0.00 N ATOM 0 H ASN A 92 -7.665 -0.220 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.894 -1.047 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.733 -1.195 -4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.955 0.514 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.635 -0.451 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.252 0.327 -7.421 1.00 0.00 H new ATOM 1462 N PHE A 93 -7.102 1.137 -6.970 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.736 2.390 -7.608 1.00 0.00 C ATOM 1464 C PHE A 93 -7.923 3.060 -8.281 1.00 0.00 C ATOM 1465 O PHE A 93 -8.957 2.436 -8.522 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.635 2.143 -8.630 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.409 1.515 -8.037 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.528 2.261 -7.271 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -4.144 0.171 -8.237 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.407 1.678 -6.716 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -3.024 -0.416 -7.688 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.156 0.338 -6.926 1.00 0.00 C ATOM 0 H PHE A 93 -6.731 0.308 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.379 3.064 -6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.020 1.498 -9.420 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.361 3.090 -9.096 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.721 3.311 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.822 -0.424 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.728 2.269 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.826 -1.465 -7.854 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.279 -0.121 -6.494 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.755 4.342 -8.586 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.808 5.098 -9.238 1.00 0.00 C ATOM 1484 C GLY A 94 -8.546 5.289 -10.719 1.00 0.00 C ATOM 1485 O GLY A 94 -9.480 5.418 -11.512 1.00 0.00 O ATOM 0 H GLY A 94 -6.906 4.872 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.759 4.583 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.902 6.073 -8.759 1.00 0.00 H new ATOM 1489 N SER A 95 -7.270 5.307 -11.093 1.00 0.00 N ATOM 1490 CA SER A 95 -6.882 5.481 -12.488 1.00 0.00 C ATOM 1491 C SER A 95 -5.722 4.557 -12.847 1.00 0.00 C ATOM 1492 O SER A 95 -5.087 3.972 -11.970 1.00 0.00 O ATOM 1493 CB SER A 95 -6.489 6.937 -12.753 1.00 0.00 C ATOM 1494 OG SER A 95 -5.161 7.192 -12.327 1.00 0.00 O ATOM 0 H SER A 95 -6.487 5.203 -10.448 1.00 0.00 H new ATOM 0 HA SER A 95 -7.737 5.224 -13.113 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.581 7.154 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.176 7.603 -12.231 1.00 0.00 H new ATOM 0 HG SER A 95 -4.933 8.128 -12.508 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.453 4.428 -14.143 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.370 3.573 -14.615 1.00 0.00 C ATOM 1502 C LYS A 96 -3.016 4.105 -14.160 1.00 0.00 C ATOM 1503 O LYS A 96 -2.136 3.339 -13.769 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.401 3.469 -16.141 1.00 0.00 C ATOM 1505 CG LYS A 96 -3.739 2.210 -16.678 1.00 0.00 C ATOM 1506 CD LYS A 96 -3.307 2.380 -18.125 1.00 0.00 C ATOM 1507 CE LYS A 96 -1.827 2.715 -18.229 1.00 0.00 C ATOM 1508 NZ LYS A 96 -1.239 2.239 -19.512 1.00 0.00 N ATOM 0 H LYS A 96 -5.969 4.904 -14.883 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.513 2.581 -14.186 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.437 3.497 -16.478 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.904 4.341 -16.567 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.872 1.964 -16.065 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.432 1.372 -16.600 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.513 1.463 -18.678 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.894 3.172 -18.590 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.692 3.793 -18.146 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.293 2.262 -17.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.229 2.487 -19.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.345 1.207 -19.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.732 2.691 -20.309 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.853 5.424 -14.215 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.604 6.056 -13.809 1.00 0.00 C ATOM 1524 C GLU A 97 -1.300 5.771 -12.344 1.00 0.00 C ATOM 1525 O GLU A 97 -0.165 5.457 -11.986 1.00 0.00 O ATOM 1526 CB GLU A 97 -1.669 7.566 -14.047 1.00 0.00 C ATOM 1527 CG GLU A 97 -1.243 7.980 -15.448 1.00 0.00 C ATOM 1528 CD GLU A 97 -0.079 8.952 -15.441 1.00 0.00 C ATOM 1529 OE1 GLU A 97 0.906 8.693 -14.721 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -0.154 9.972 -16.159 1.00 0.00 O ATOM 0 H GLU A 97 -3.570 6.074 -14.537 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.801 5.636 -14.415 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.688 7.910 -13.869 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.032 8.068 -13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.967 7.092 -16.017 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.089 8.436 -15.961 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.320 5.877 -11.497 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.155 5.621 -10.071 1.00 0.00 C ATOM 1539 C ASP A 98 -1.496 4.266 -9.843 1.00 0.00 C ATOM 1540 O ASP A 98 -0.362 4.185 -9.369 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.509 5.668 -9.359 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.272 6.945 -9.650 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.644 8.024 -9.652 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.499 6.865 -9.875 1.00 0.00 O ATOM 0 H ASP A 98 -3.267 6.138 -11.773 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.512 6.398 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.108 4.812 -9.668 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.354 5.578 -8.284 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.214 3.204 -10.190 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.707 1.846 -10.032 1.00 0.00 C ATOM 1551 C ALA A 99 -0.284 1.713 -10.571 1.00 0.00 C ATOM 1552 O ALA A 99 0.517 0.937 -10.045 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.636 0.862 -10.726 1.00 0.00 C ATOM 0 H ALA A 99 -3.153 3.258 -10.584 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.676 1.617 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.251 -0.150 -10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.631 0.928 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.693 1.103 -11.788 1.00 0.00 H new ATOM 1559 N ALA A 100 0.028 2.473 -11.616 1.00 0.00 N ATOM 1560 CA ALA A 100 1.356 2.433 -12.214 1.00 0.00 C ATOM 1561 C ALA A 100 2.373 3.171 -11.347 1.00 0.00 C ATOM 1562 O ALA A 100 3.553 2.821 -11.321 1.00 0.00 O ATOM 1563 CB ALA A 100 1.323 3.028 -13.614 1.00 0.00 C ATOM 0 H ALA A 100 -0.619 3.122 -12.064 1.00 0.00 H new ATOM 0 HA ALA A 100 1.665 1.390 -12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.322 2.991 -14.048 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.635 2.456 -14.237 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.988 4.064 -13.561 1.00 0.00 H new ATOM 1569 N GLN A 101 1.907 4.196 -10.640 1.00 0.00 N ATOM 1570 CA GLN A 101 2.775 4.986 -9.774 1.00 0.00 C ATOM 1571 C GLN A 101 3.049 4.261 -8.458 1.00 0.00 C ATOM 1572 O GLN A 101 4.198 4.154 -8.022 1.00 0.00 O ATOM 1573 CB GLN A 101 2.142 6.350 -9.494 1.00 0.00 C ATOM 1574 CG GLN A 101 3.089 7.339 -8.836 1.00 0.00 C ATOM 1575 CD GLN A 101 4.237 7.739 -9.742 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.231 8.820 -10.331 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.229 6.864 -9.859 1.00 0.00 N ATOM 0 H GLN A 101 0.933 4.499 -10.650 1.00 0.00 H new ATOM 0 HA GLN A 101 3.724 5.129 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.783 6.773 -10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.272 6.212 -8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.533 8.230 -8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.489 6.900 -7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.192 5.980 -9.352 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.028 7.076 -10.456 1.00 0.00 H new ATOM 1586 N PHE A 102 1.986 3.768 -7.828 1.00 0.00 N ATOM 1587 CA PHE A 102 2.108 3.057 -6.559 1.00 0.00 C ATOM 1588 C PHE A 102 3.155 1.949 -6.652 1.00 0.00 C ATOM 1589 O PHE A 102 4.030 1.836 -5.794 1.00 0.00 O ATOM 1590 CB PHE A 102 0.753 2.477 -6.142 1.00 0.00 C ATOM 1591 CG PHE A 102 0.676 2.106 -4.687 1.00 0.00 C ATOM 1592 CD1 PHE A 102 1.197 2.949 -3.719 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.083 0.917 -4.289 1.00 0.00 C ATOM 1594 CE1 PHE A 102 1.129 2.615 -2.381 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.013 0.578 -2.952 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.536 1.428 -1.996 1.00 0.00 C ATOM 0 H PHE A 102 1.030 3.848 -8.176 1.00 0.00 H new ATOM 0 HA PHE A 102 2.434 3.768 -5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.028 3.205 -6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.545 1.593 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.662 3.878 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.328 0.250 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.539 3.281 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.450 -0.351 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.481 1.165 -0.950 1.00 0.00 H new ATOM 1606 N ALA A 103 3.066 1.140 -7.703 1.00 0.00 N ATOM 1607 CA ALA A 103 4.012 0.052 -7.911 1.00 0.00 C ATOM 1608 C ALA A 103 5.407 0.591 -8.196 1.00 0.00 C ATOM 1609 O ALA A 103 6.410 -0.013 -7.815 1.00 0.00 O ATOM 1610 CB ALA A 103 3.555 -0.830 -9.059 1.00 0.00 C ATOM 0 H ALA A 103 2.348 1.218 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 103 4.051 -0.541 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.271 -1.639 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.576 -1.249 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.490 -0.236 -9.971 1.00 0.00 H new ATOM 1616 N ALA A 104 5.459 1.733 -8.876 1.00 0.00 N ATOM 1617 CA ALA A 104 6.725 2.369 -9.227 1.00 0.00 C ATOM 1618 C ALA A 104 7.690 2.381 -8.046 1.00 0.00 C ATOM 1619 O ALA A 104 8.723 1.706 -8.058 1.00 0.00 O ATOM 1620 CB ALA A 104 6.476 3.789 -9.715 1.00 0.00 C ATOM 0 H ALA A 104 4.634 2.239 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 104 7.184 1.787 -10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.426 4.256 -9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.832 3.764 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.992 4.365 -8.926 1.00 0.00 H new ATOM 1626 N GLY A 105 7.343 3.152 -7.024 1.00 0.00 N ATOM 1627 CA GLY A 105 8.188 3.239 -5.848 1.00 0.00 C ATOM 1628 C GLY A 105 8.324 1.914 -5.141 1.00 0.00 C ATOM 1629 O GLY A 105 9.432 1.480 -4.823 1.00 0.00 O ATOM 0 H GLY A 105 6.495 3.717 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.176 3.596 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.773 3.975 -5.159 1.00 0.00 H new ATOM 1633 N MET A 106 7.192 1.267 -4.894 1.00 0.00 N ATOM 1634 CA MET A 106 7.187 -0.021 -4.218 1.00 0.00 C ATOM 1635 C MET A 106 8.188 -0.966 -4.862 1.00 0.00 C ATOM 1636 O MET A 106 9.124 -1.429 -4.215 1.00 0.00 O ATOM 1637 CB MET A 106 5.796 -0.640 -4.261 1.00 0.00 C ATOM 1638 CG MET A 106 5.750 -2.015 -3.635 1.00 0.00 C ATOM 1639 SD MET A 106 5.587 -1.949 -1.847 1.00 0.00 S ATOM 1640 CE MET A 106 5.825 -3.674 -1.474 1.00 0.00 C ATOM 0 H MET A 106 6.268 1.613 -5.152 1.00 0.00 H new ATOM 0 HA MET A 106 7.472 0.141 -3.178 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.095 0.014 -3.742 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.464 -0.706 -5.297 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.913 -2.574 -4.053 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.658 -2.560 -3.894 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.014 -4.023 -0.835 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.831 -4.249 -2.400 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.776 -3.807 -0.958 1.00 0.00 H new ATOM 1650 N ALA A 107 7.981 -1.241 -6.145 1.00 0.00 N ATOM 1651 CA ALA A 107 8.870 -2.121 -6.896 1.00 0.00 C ATOM 1652 C ALA A 107 10.323 -1.818 -6.554 1.00 0.00 C ATOM 1653 O ALA A 107 11.155 -2.719 -6.460 1.00 0.00 O ATOM 1654 CB ALA A 107 8.631 -1.967 -8.391 1.00 0.00 C ATOM 0 H ALA A 107 7.203 -0.866 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 107 8.656 -3.153 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.302 -2.630 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.598 -2.225 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.822 -0.935 -8.686 1.00 0.00 H new ATOM 1660 N SER A 108 10.611 -0.536 -6.342 1.00 0.00 N ATOM 1661 CA SER A 108 11.954 -0.108 -5.979 1.00 0.00 C ATOM 1662 C SER A 108 12.301 -0.607 -4.579 1.00 0.00 C ATOM 1663 O SER A 108 13.417 -1.061 -4.328 1.00 0.00 O ATOM 1664 CB SER A 108 12.064 1.417 -6.035 1.00 0.00 C ATOM 1665 OG SER A 108 13.368 1.822 -6.412 1.00 0.00 O ATOM 0 H SER A 108 9.932 0.221 -6.416 1.00 0.00 H new ATOM 0 HA SER A 108 12.659 -0.533 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.338 1.811 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.817 1.838 -5.061 1.00 0.00 H new ATOM 0 HG SER A 108 13.411 2.801 -6.442 1.00 0.00 H new ATOM 1671 N ALA A 109 11.327 -0.530 -3.672 1.00 0.00 N ATOM 1672 CA ALA A 109 11.519 -0.987 -2.299 1.00 0.00 C ATOM 1673 C ALA A 109 11.912 -2.458 -2.266 1.00 0.00 C ATOM 1674 O ALA A 109 12.950 -2.824 -1.720 1.00 0.00 O ATOM 1675 CB ALA A 109 10.251 -0.765 -1.479 1.00 0.00 C ATOM 0 H ALA A 109 10.398 -0.155 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 109 12.329 -0.404 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.412 -1.112 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.007 0.297 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.427 -1.322 -1.925 1.00 0.00 H new ATOM 1681 N LEU A 110 11.068 -3.293 -2.858 1.00 0.00 N ATOM 1682 CA LEU A 110 11.310 -4.731 -2.904 1.00 0.00 C ATOM 1683 C LEU A 110 12.634 -5.046 -3.598 1.00 0.00 C ATOM 1684 O LEU A 110 13.246 -6.082 -3.344 1.00 0.00 O ATOM 1685 CB LEU A 110 10.163 -5.442 -3.631 1.00 0.00 C ATOM 1686 CG LEU A 110 8.761 -4.891 -3.344 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.770 -5.373 -4.392 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.305 -5.290 -1.947 1.00 0.00 C ATOM 0 H LEU A 110 10.205 -2.998 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 110 11.364 -5.092 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.345 -5.385 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.183 -6.498 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 110 8.804 -3.803 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.781 -4.971 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.088 -5.032 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.730 -6.462 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.308 -4.890 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.280 -6.377 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.000 -4.889 -1.209 1.00 0.00 H new ATOM 1700 N GLU A 111 13.063 -4.150 -4.480 1.00 0.00 N ATOM 1701 CA GLU A 111 14.307 -4.333 -5.220 1.00 0.00 C ATOM 1702 C GLU A 111 15.503 -3.765 -4.470 1.00 0.00 C ATOM 1703 O GLU A 111 16.644 -4.171 -4.695 1.00 0.00 O ATOM 1704 CB GLU A 111 14.195 -3.666 -6.586 1.00 0.00 C ATOM 1705 CG GLU A 111 13.931 -4.654 -7.696 1.00 0.00 C ATOM 1706 CD GLU A 111 14.013 -4.026 -9.074 1.00 0.00 C ATOM 1707 OE1 GLU A 111 15.142 -3.762 -9.540 1.00 0.00 O ATOM 1708 OE2 GLU A 111 12.949 -3.797 -9.687 1.00 0.00 O ATOM 0 H GLU A 111 12.566 -3.287 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 111 14.467 -5.405 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.392 -2.930 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.117 -3.125 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.652 -5.469 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.942 -5.091 -7.559 1.00 0.00 H new ATOM 1715 N ALA A 112 15.232 -2.836 -3.571 1.00 0.00 N ATOM 1716 CA ALA A 112 16.281 -2.216 -2.773 1.00 0.00 C ATOM 1717 C ALA A 112 16.396 -2.916 -1.432 1.00 0.00 C ATOM 1718 O ALA A 112 17.262 -2.597 -0.617 1.00 0.00 O ATOM 1719 CB ALA A 112 15.999 -0.736 -2.575 1.00 0.00 C ATOM 0 H ALA A 112 14.292 -2.492 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 112 17.227 -2.315 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.794 -0.291 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.955 -0.241 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.046 -0.613 -2.061 1.00 0.00 H new ATOM 1725 N LEU A 113 15.507 -3.875 -1.217 1.00 0.00 N ATOM 1726 CA LEU A 113 15.481 -4.634 0.009 1.00 0.00 C ATOM 1727 C LEU A 113 15.944 -6.066 -0.247 1.00 0.00 C ATOM 1728 O LEU A 113 16.414 -6.750 0.662 1.00 0.00 O ATOM 1729 CB LEU A 113 14.063 -4.597 0.580 1.00 0.00 C ATOM 1730 CG LEU A 113 13.908 -3.868 1.921 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.264 -4.792 3.077 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.773 -2.615 1.956 1.00 0.00 C ATOM 0 H LEU A 113 14.789 -4.143 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 113 16.165 -4.197 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.409 -4.120 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.712 -5.622 0.701 1.00 0.00 H new ATOM 0 HG LEU A 113 12.865 -3.568 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.148 -4.257 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.602 -5.658 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.297 -5.124 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.648 -2.113 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.819 -2.891 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.472 -1.942 1.153 1.00 0.00 H new ATOM 1744 N GLU A 114 15.828 -6.504 -1.501 1.00 0.00 N ATOM 1745 CA GLU A 114 16.251 -7.842 -1.892 1.00 0.00 C ATOM 1746 C GLU A 114 17.715 -7.831 -2.321 1.00 0.00 C ATOM 1747 O GLU A 114 18.467 -8.759 -2.021 1.00 0.00 O ATOM 1748 CB GLU A 114 15.378 -8.368 -3.036 1.00 0.00 C ATOM 1749 CG GLU A 114 14.311 -9.354 -2.590 1.00 0.00 C ATOM 1750 CD GLU A 114 13.449 -9.838 -3.739 1.00 0.00 C ATOM 1751 OE1 GLU A 114 14.015 -10.324 -4.742 1.00 0.00 O ATOM 1752 OE2 GLU A 114 12.209 -9.733 -3.637 1.00 0.00 O ATOM 0 H GLU A 114 15.443 -5.947 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 114 16.138 -8.502 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.896 -7.524 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.017 -8.849 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.789 -10.210 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.677 -8.883 -1.838 1.00 0.00 H new ATOM 1759 N GLY A 115 18.112 -6.773 -3.025 1.00 0.00 N ATOM 1760 CA GLY A 115 19.485 -6.662 -3.484 1.00 0.00 C ATOM 1761 C GLY A 115 19.892 -5.227 -3.751 1.00 0.00 C ATOM 1762 O GLY A 115 19.902 -4.424 -2.795 1.00 0.00 O ATOM 1763 OXT GLY A 115 20.204 -4.906 -4.917 1.00 0.00 O ATOM 0 H GLY A 115 17.508 -5.993 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 115 20.151 -7.092 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 115 19.609 -7.247 -4.395 1.00 0.00 H new