USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 799 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 49 THR OG1 : rot -91:sc= 1.33 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -0.384 K(o=0.94,f=-3.6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -164:sc= 0.505 USER MOD Single : A 10 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -118:sc= -2.32 (180deg=-5.1!) USER MOD Single : A 25 GLN : amide:sc= -0.195 K(o=-0.19,f=-2!) USER MOD Single : A 26 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -119:sc= -1.21 (180deg=-4.61!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00366 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= -0.131 (180deg=-0.811) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -92:sc= 0.0541 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 79:sc= 0.763 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 26:sc= 0.903 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -24.093 -11.586 6.765 1.00 0.00 N ATOM 35 CA VAL A 3 -24.265 -12.594 5.679 1.00 0.00 C ATOM 36 C VAL A 3 -22.985 -13.418 5.512 1.00 0.00 C ATOM 37 O VAL A 3 -23.018 -14.550 5.074 1.00 0.00 O ATOM 38 CB VAL A 3 -24.545 -11.775 4.420 1.00 0.00 C ATOM 39 CG1 VAL A 3 -24.452 -12.680 3.190 1.00 0.00 C ATOM 40 CG2 VAL A 3 -25.951 -11.176 4.504 1.00 0.00 C ATOM 0 HA VAL A 3 -25.068 -13.299 5.894 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.811 -10.974 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.652 -12.095 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -23.452 -13.109 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -25.186 -13.482 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -26.152 -10.591 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -26.684 -11.978 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -26.020 -10.531 5.380 1.00 0.00 H new ATOM 50 N LYS A 4 -21.858 -12.857 5.856 1.00 0.00 N ATOM 51 CA LYS A 4 -20.578 -13.609 5.716 1.00 0.00 C ATOM 52 C LYS A 4 -20.427 -14.135 4.284 1.00 0.00 C ATOM 53 O LYS A 4 -20.958 -15.170 3.934 1.00 0.00 O ATOM 54 CB LYS A 4 -20.691 -14.771 6.703 1.00 0.00 C ATOM 55 CG LYS A 4 -19.692 -14.573 7.845 1.00 0.00 C ATOM 56 CD LYS A 4 -20.112 -15.421 9.045 1.00 0.00 C ATOM 57 CE LYS A 4 -18.957 -15.499 10.046 1.00 0.00 C ATOM 58 NZ LYS A 4 -19.601 -15.788 11.358 1.00 0.00 N ATOM 0 H LYS A 4 -21.768 -11.911 6.228 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.708 -12.984 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.705 -14.828 7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.494 -15.714 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.691 -14.856 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.650 -13.521 8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.991 -14.986 9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.390 -16.422 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.250 -16.282 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.399 -14.563 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.871 -15.856 12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.263 -15.022 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.119 -16.688 11.300 1.00 0.00 H new ATOM 72 N CYS A 5 -19.707 -13.430 3.455 1.00 0.00 N ATOM 73 CA CYS A 5 -19.524 -13.891 2.049 1.00 0.00 C ATOM 74 C CYS A 5 -18.193 -14.642 1.906 1.00 0.00 C ATOM 75 O CYS A 5 -17.294 -14.454 2.700 1.00 0.00 O ATOM 76 CB CYS A 5 -19.508 -12.614 1.209 1.00 0.00 C ATOM 77 SG CYS A 5 -21.028 -11.675 1.504 1.00 0.00 S ATOM 0 H CYS A 5 -19.238 -12.555 3.690 1.00 0.00 H new ATOM 0 HA CYS A 5 -20.312 -14.575 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -18.639 -12.009 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -19.422 -12.863 0.151 1.00 0.00 H new ATOM 82 N PRO A 6 -18.105 -15.469 0.891 1.00 0.00 N ATOM 83 CA PRO A 6 -19.235 -15.667 -0.055 1.00 0.00 C ATOM 84 C PRO A 6 -20.324 -16.531 0.588 1.00 0.00 C ATOM 85 O PRO A 6 -20.140 -17.091 1.649 1.00 0.00 O ATOM 86 CB PRO A 6 -18.594 -16.395 -1.232 1.00 0.00 C ATOM 87 CG PRO A 6 -17.399 -17.090 -0.659 1.00 0.00 C ATOM 88 CD PRO A 6 -16.942 -16.291 0.537 1.00 0.00 C ATOM 0 HA PRO A 6 -19.717 -14.734 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -19.287 -17.107 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.305 -15.696 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.652 -18.109 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.603 -17.160 -1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.649 -16.941 1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.077 -15.673 0.296 1.00 0.00 H new ATOM 96 N GLY A 7 -21.458 -16.641 -0.047 1.00 0.00 N ATOM 97 CA GLY A 7 -22.556 -17.470 0.530 1.00 0.00 C ATOM 98 C GLY A 7 -23.742 -17.495 -0.437 1.00 0.00 C ATOM 99 O GLY A 7 -23.965 -16.565 -1.185 1.00 0.00 O ATOM 0 H GLY A 7 -21.673 -16.194 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.202 -18.484 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.866 -17.062 1.492 1.00 0.00 H new ATOM 103 N GLU A 8 -24.503 -18.556 -0.427 1.00 0.00 N ATOM 104 CA GLU A 8 -25.675 -18.639 -1.347 1.00 0.00 C ATOM 105 C GLU A 8 -26.978 -18.456 -0.565 1.00 0.00 C ATOM 106 O GLU A 8 -27.149 -18.998 0.510 1.00 0.00 O ATOM 107 CB GLU A 8 -25.605 -20.042 -1.952 1.00 0.00 C ATOM 108 CG GLU A 8 -24.637 -20.040 -3.137 1.00 0.00 C ATOM 109 CD GLU A 8 -24.562 -21.445 -3.737 1.00 0.00 C ATOM 110 OE1 GLU A 8 -25.004 -22.374 -3.079 1.00 0.00 O ATOM 111 OE2 GLU A 8 -24.063 -21.569 -4.844 1.00 0.00 O ATOM 0 H GLU A 8 -24.365 -19.367 0.176 1.00 0.00 H new ATOM 0 HA GLU A 8 -25.654 -17.863 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -25.274 -20.758 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -26.596 -20.358 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -24.971 -19.328 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -23.648 -19.719 -2.811 1.00 0.00 H new ATOM 118 N TYR A 9 -27.897 -17.697 -1.094 1.00 0.00 N ATOM 119 CA TYR A 9 -29.189 -17.480 -0.381 1.00 0.00 C ATOM 120 C TYR A 9 -30.360 -17.622 -1.356 1.00 0.00 C ATOM 121 O TYR A 9 -30.176 -17.708 -2.555 1.00 0.00 O ATOM 122 CB TYR A 9 -29.109 -16.052 0.158 1.00 0.00 C ATOM 123 CG TYR A 9 -28.143 -16.004 1.319 1.00 0.00 C ATOM 124 CD1 TYR A 9 -28.569 -16.384 2.600 1.00 0.00 C ATOM 125 CD2 TYR A 9 -26.824 -15.580 1.117 1.00 0.00 C ATOM 126 CE1 TYR A 9 -27.674 -16.340 3.676 1.00 0.00 C ATOM 127 CE2 TYR A 9 -25.929 -15.536 2.193 1.00 0.00 C ATOM 128 CZ TYR A 9 -26.354 -15.916 3.474 1.00 0.00 C ATOM 129 OH TYR A 9 -25.472 -15.872 4.534 1.00 0.00 O ATOM 0 H TYR A 9 -27.810 -17.217 -1.990 1.00 0.00 H new ATOM 0 HA TYR A 9 -29.349 -18.207 0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -28.782 -15.373 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -30.096 -15.717 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -29.587 -16.710 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -26.497 -15.287 0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -28.002 -16.633 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -24.912 -15.209 2.036 1.00 0.00 H new ATOM 0 HH TYR A 9 -24.693 -15.330 4.289 1.00 0.00 H new ATOM 139 N GLN A 10 -31.564 -17.646 -0.852 1.00 0.00 N ATOM 140 CA GLN A 10 -32.744 -17.782 -1.753 1.00 0.00 C ATOM 141 C GLN A 10 -33.773 -16.690 -1.448 1.00 0.00 C ATOM 142 O GLN A 10 -34.010 -16.348 -0.306 1.00 0.00 O ATOM 143 CB GLN A 10 -33.321 -19.164 -1.442 1.00 0.00 C ATOM 144 CG GLN A 10 -34.045 -19.705 -2.677 1.00 0.00 C ATOM 145 CD GLN A 10 -33.394 -21.018 -3.115 1.00 0.00 C ATOM 146 OE1 GLN A 10 -32.663 -21.054 -4.084 1.00 0.00 O ATOM 147 NE2 GLN A 10 -33.631 -22.107 -2.436 1.00 0.00 N ATOM 0 H GLN A 10 -31.781 -17.577 0.142 1.00 0.00 H new ATOM 0 HA GLN A 10 -32.475 -17.679 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -32.523 -19.845 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -34.012 -19.101 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -35.099 -19.867 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -34.000 -18.976 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -34.245 -22.077 -1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -33.202 -22.988 -2.719 1.00 0.00 H new ATOM 156 N VAL A 11 -34.386 -16.144 -2.461 1.00 0.00 N ATOM 157 CA VAL A 11 -35.401 -15.075 -2.231 1.00 0.00 C ATOM 158 C VAL A 11 -36.741 -15.482 -2.850 1.00 0.00 C ATOM 159 O VAL A 11 -36.954 -15.344 -4.038 1.00 0.00 O ATOM 160 CB VAL A 11 -34.839 -13.838 -2.933 1.00 0.00 C ATOM 161 CG1 VAL A 11 -35.744 -12.637 -2.654 1.00 0.00 C ATOM 162 CG2 VAL A 11 -33.432 -13.549 -2.404 1.00 0.00 C ATOM 0 H VAL A 11 -34.229 -16.391 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 11 -35.581 -14.894 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 11 -34.795 -14.018 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -35.343 -11.755 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -36.747 -12.842 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -35.788 -12.456 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -33.030 -12.668 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -33.477 -13.369 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -32.786 -14.404 -2.602 1.00 0.00 H new ATOM 172 N ASP A 12 -37.645 -15.983 -2.053 1.00 0.00 N ATOM 173 CA ASP A 12 -38.970 -16.400 -2.597 1.00 0.00 C ATOM 174 C ASP A 12 -38.781 -17.412 -3.729 1.00 0.00 C ATOM 175 O ASP A 12 -38.761 -18.607 -3.508 1.00 0.00 O ATOM 176 CB ASP A 12 -39.603 -15.113 -3.128 1.00 0.00 C ATOM 177 CG ASP A 12 -40.875 -15.455 -3.908 1.00 0.00 C ATOM 178 OD1 ASP A 12 -41.615 -16.311 -3.451 1.00 0.00 O ATOM 179 OD2 ASP A 12 -41.088 -14.853 -4.947 1.00 0.00 O ATOM 0 H ASP A 12 -37.524 -16.122 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 12 -39.594 -16.880 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -39.839 -14.443 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -38.898 -14.587 -3.773 1.00 0.00 H new ATOM 184 N GLY A 13 -38.640 -16.945 -4.939 1.00 0.00 N ATOM 185 CA GLY A 13 -38.450 -17.882 -6.083 1.00 0.00 C ATOM 186 C GLY A 13 -37.257 -17.425 -6.925 1.00 0.00 C ATOM 187 O GLY A 13 -37.397 -17.087 -8.084 1.00 0.00 O ATOM 0 H GLY A 13 -38.648 -15.955 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -38.282 -18.894 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -39.351 -17.912 -6.696 1.00 0.00 H new ATOM 191 N LYS A 14 -36.085 -17.414 -6.352 1.00 0.00 N ATOM 192 CA LYS A 14 -34.884 -16.979 -7.121 1.00 0.00 C ATOM 193 C LYS A 14 -33.606 -17.410 -6.396 1.00 0.00 C ATOM 194 O LYS A 14 -33.604 -17.639 -5.203 1.00 0.00 O ATOM 195 CB LYS A 14 -34.982 -15.454 -7.178 1.00 0.00 C ATOM 196 CG LYS A 14 -34.869 -14.989 -8.631 1.00 0.00 C ATOM 197 CD LYS A 14 -33.424 -15.152 -9.108 1.00 0.00 C ATOM 198 CE LYS A 14 -33.143 -14.157 -10.235 1.00 0.00 C ATOM 199 NZ LYS A 14 -32.650 -14.991 -11.367 1.00 0.00 N ATOM 0 H LYS A 14 -35.907 -17.687 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 14 -34.847 -17.422 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -35.929 -15.124 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -34.190 -15.005 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -35.540 -15.571 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -35.176 -13.946 -8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -32.735 -14.984 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -33.258 -16.171 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -34.043 -13.608 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -32.399 -13.419 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -32.435 -14.380 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -31.789 -15.497 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -33.382 -15.680 -11.635 1.00 0.00 H new ATOM 213 N LYS A 15 -32.518 -17.526 -7.108 1.00 0.00 N ATOM 214 CA LYS A 15 -31.243 -17.944 -6.460 1.00 0.00 C ATOM 215 C LYS A 15 -30.217 -16.809 -6.524 1.00 0.00 C ATOM 216 O LYS A 15 -30.025 -16.190 -7.551 1.00 0.00 O ATOM 217 CB LYS A 15 -30.761 -19.146 -7.272 1.00 0.00 C ATOM 218 CG LYS A 15 -31.744 -20.306 -7.102 1.00 0.00 C ATOM 219 CD LYS A 15 -31.212 -21.539 -7.833 1.00 0.00 C ATOM 220 CE LYS A 15 -30.742 -22.576 -6.810 1.00 0.00 C ATOM 221 NZ LYS A 15 -31.736 -23.681 -6.899 1.00 0.00 N ATOM 0 H LYS A 15 -32.457 -17.349 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 15 -31.378 -18.190 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -30.678 -18.877 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -29.767 -19.447 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -31.880 -20.529 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -32.721 -20.029 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -31.991 -21.964 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -30.387 -21.259 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -29.737 -22.930 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -30.710 -22.154 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -31.482 -24.432 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -32.682 -23.316 -6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -31.739 -24.068 -7.864 1.00 0.00 H new ATOM 235 N VAL A 16 -29.556 -16.532 -5.433 1.00 0.00 N ATOM 236 CA VAL A 16 -28.542 -15.438 -5.432 1.00 0.00 C ATOM 237 C VAL A 16 -27.204 -15.958 -4.900 1.00 0.00 C ATOM 238 O VAL A 16 -27.125 -16.498 -3.816 1.00 0.00 O ATOM 239 CB VAL A 16 -29.111 -14.370 -4.499 1.00 0.00 C ATOM 240 CG1 VAL A 16 -28.232 -13.120 -4.553 1.00 0.00 C ATOM 241 CG2 VAL A 16 -30.532 -14.012 -4.943 1.00 0.00 C ATOM 0 H VAL A 16 -29.674 -17.015 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 16 -28.356 -15.047 -6.432 1.00 0.00 H new ATOM 0 HB VAL A 16 -29.132 -14.754 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -28.640 -12.360 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -27.220 -13.373 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -28.209 -12.735 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -30.940 -13.250 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -30.509 -13.629 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -31.160 -14.902 -4.904 1.00 0.00 H new ATOM 251 N ILE A 17 -26.150 -15.802 -5.655 1.00 0.00 N ATOM 252 CA ILE A 17 -24.821 -16.291 -5.188 1.00 0.00 C ATOM 253 C ILE A 17 -23.938 -15.112 -4.769 1.00 0.00 C ATOM 254 O ILE A 17 -23.317 -14.466 -5.589 1.00 0.00 O ATOM 255 CB ILE A 17 -24.217 -17.010 -6.395 1.00 0.00 C ATOM 256 CG1 ILE A 17 -25.047 -18.257 -6.712 1.00 0.00 C ATOM 257 CG2 ILE A 17 -22.780 -17.426 -6.076 1.00 0.00 C ATOM 258 CD1 ILE A 17 -25.594 -18.157 -8.138 1.00 0.00 C ATOM 0 H ILE A 17 -26.152 -15.358 -6.573 1.00 0.00 H new ATOM 0 HA ILE A 17 -24.905 -16.947 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 17 -24.220 -16.340 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -24.433 -19.152 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -25.868 -18.350 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.350 -17.938 -6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.187 -16.540 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.778 -18.096 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -26.185 -19.045 -8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -26.222 -17.271 -8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -24.765 -18.084 -8.842 1.00 0.00 H new ATOM 270 N LEU A 18 -23.877 -14.828 -3.496 1.00 0.00 N ATOM 271 CA LEU A 18 -23.034 -13.693 -3.024 1.00 0.00 C ATOM 272 C LEU A 18 -21.551 -14.008 -3.241 1.00 0.00 C ATOM 273 O LEU A 18 -20.978 -14.837 -2.560 1.00 0.00 O ATOM 274 CB LEU A 18 -23.338 -13.565 -1.531 1.00 0.00 C ATOM 275 CG LEU A 18 -24.753 -13.018 -1.337 1.00 0.00 C ATOM 276 CD1 LEU A 18 -24.953 -12.635 0.130 1.00 0.00 C ATOM 277 CD2 LEU A 18 -24.947 -11.780 -2.216 1.00 0.00 C ATOM 0 H LEU A 18 -24.375 -15.333 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.247 -12.771 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -23.244 -14.537 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -22.614 -12.902 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 18 -25.479 -13.781 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -25.961 -12.245 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -24.814 -13.515 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -24.227 -11.872 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -25.955 -11.390 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -24.221 -11.017 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -24.803 -12.050 -3.262 1.00 0.00 H new ATOM 289 N ASP A 19 -20.928 -13.353 -4.181 1.00 0.00 N ATOM 290 CA ASP A 19 -19.483 -13.614 -4.438 1.00 0.00 C ATOM 291 C ASP A 19 -18.697 -13.561 -3.125 1.00 0.00 C ATOM 292 O ASP A 19 -19.252 -13.336 -2.068 1.00 0.00 O ATOM 293 CB ASP A 19 -19.039 -12.490 -5.375 1.00 0.00 C ATOM 294 CG ASP A 19 -17.721 -12.877 -6.051 1.00 0.00 C ATOM 295 OD1 ASP A 19 -17.444 -14.062 -6.128 1.00 0.00 O ATOM 296 OD2 ASP A 19 -17.012 -11.982 -6.479 1.00 0.00 O ATOM 0 H ASP A 19 -21.356 -12.649 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 19 -19.310 -14.599 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.805 -12.306 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.914 -11.564 -4.815 1.00 0.00 H new ATOM 301 N GLU A 20 -17.410 -13.767 -3.183 1.00 0.00 N ATOM 302 CA GLU A 20 -16.593 -13.727 -1.936 1.00 0.00 C ATOM 303 C GLU A 20 -16.655 -12.332 -1.307 1.00 0.00 C ATOM 304 O GLU A 20 -16.306 -12.143 -0.159 1.00 0.00 O ATOM 305 CB GLU A 20 -15.168 -14.050 -2.386 1.00 0.00 C ATOM 306 CG GLU A 20 -14.621 -12.890 -3.219 1.00 0.00 C ATOM 307 CD GLU A 20 -14.194 -13.407 -4.595 1.00 0.00 C ATOM 308 OE1 GLU A 20 -15.034 -13.440 -5.479 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.035 -13.758 -4.740 1.00 0.00 O ATOM 0 H GLU A 20 -16.889 -13.961 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.952 -14.430 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.531 -14.221 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.160 -14.969 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.381 -12.117 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.772 -12.432 -2.711 1.00 0.00 H new ATOM 316 N ASP A 21 -17.094 -11.355 -2.052 1.00 0.00 N ATOM 317 CA ASP A 21 -17.177 -9.973 -1.496 1.00 0.00 C ATOM 318 C ASP A 21 -18.632 -9.498 -1.471 1.00 0.00 C ATOM 319 O ASP A 21 -18.931 -8.367 -1.797 1.00 0.00 O ATOM 320 CB ASP A 21 -16.348 -9.114 -2.452 1.00 0.00 C ATOM 321 CG ASP A 21 -15.005 -8.776 -1.801 1.00 0.00 C ATOM 322 OD1 ASP A 21 -14.632 -9.466 -0.867 1.00 0.00 O ATOM 323 OD2 ASP A 21 -14.374 -7.834 -2.249 1.00 0.00 O ATOM 0 H ASP A 21 -17.399 -11.453 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.809 -9.916 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.186 -9.647 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.887 -8.198 -2.695 1.00 0.00 H new ATOM 328 N CYS A 22 -19.540 -10.354 -1.085 1.00 0.00 N ATOM 329 CA CYS A 22 -20.975 -9.948 -1.039 1.00 0.00 C ATOM 330 C CYS A 22 -21.371 -9.254 -2.346 1.00 0.00 C ATOM 331 O CYS A 22 -21.946 -8.183 -2.340 1.00 0.00 O ATOM 332 CB CYS A 22 -21.074 -8.976 0.136 1.00 0.00 C ATOM 333 SG CYS A 22 -20.407 -9.757 1.627 1.00 0.00 S ATOM 0 H CYS A 22 -19.351 -11.315 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.642 -10.802 -0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.522 -8.063 -0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -22.113 -8.689 0.297 1.00 0.00 H new ATOM 338 N PHE A 23 -21.067 -9.853 -3.464 1.00 0.00 N ATOM 339 CA PHE A 23 -21.426 -9.225 -4.769 1.00 0.00 C ATOM 340 C PHE A 23 -22.547 -10.016 -5.447 1.00 0.00 C ATOM 341 O PHE A 23 -22.799 -11.159 -5.123 1.00 0.00 O ATOM 342 CB PHE A 23 -20.147 -9.285 -5.604 1.00 0.00 C ATOM 343 CG PHE A 23 -20.180 -8.203 -6.656 1.00 0.00 C ATOM 344 CD1 PHE A 23 -19.928 -6.872 -6.299 1.00 0.00 C ATOM 345 CD2 PHE A 23 -20.464 -8.531 -7.988 1.00 0.00 C ATOM 346 CE1 PHE A 23 -19.960 -5.867 -7.276 1.00 0.00 C ATOM 347 CE2 PHE A 23 -20.496 -7.526 -8.965 1.00 0.00 C ATOM 348 CZ PHE A 23 -20.243 -6.195 -8.609 1.00 0.00 C ATOM 0 H PHE A 23 -20.586 -10.750 -3.532 1.00 0.00 H new ATOM 0 HA PHE A 23 -21.787 -8.203 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -19.275 -9.157 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -20.054 -10.263 -6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -19.709 -6.620 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.658 -9.557 -8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.767 -4.840 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -20.716 -7.778 -9.992 1.00 0.00 H new ATOM 0 HZ PHE A 23 -20.266 -5.421 -9.362 1.00 0.00 H new ATOM 358 N MET A 24 -23.223 -9.414 -6.388 1.00 0.00 N ATOM 359 CA MET A 24 -24.327 -10.131 -7.088 1.00 0.00 C ATOM 360 C MET A 24 -23.784 -10.873 -8.312 1.00 0.00 C ATOM 361 O MET A 24 -23.416 -10.272 -9.301 1.00 0.00 O ATOM 362 CB MET A 24 -25.302 -9.033 -7.515 1.00 0.00 C ATOM 363 CG MET A 24 -26.684 -9.316 -6.924 1.00 0.00 C ATOM 364 SD MET A 24 -27.166 -11.020 -7.303 1.00 0.00 S ATOM 365 CE MET A 24 -28.804 -10.647 -7.977 1.00 0.00 C ATOM 0 H MET A 24 -23.059 -8.458 -6.702 1.00 0.00 H new ATOM 0 HA MET A 24 -24.805 -10.876 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 24 -24.942 -8.061 -7.176 1.00 0.00 H new ATOM 0 HB3 MET A 24 -25.362 -8.989 -8.602 1.00 0.00 H new ATOM 0 HG2 MET A 24 -26.668 -9.163 -5.845 1.00 0.00 H new ATOM 0 HG3 MET A 24 -27.416 -8.620 -7.334 1.00 0.00 H new ATOM 0 HE1 MET A 24 -29.568 -11.124 -7.363 1.00 0.00 H new ATOM 0 HE2 MET A 24 -28.960 -9.568 -7.977 1.00 0.00 H new ATOM 0 HE3 MET A 24 -28.872 -11.023 -8.998 1.00 0.00 H new ATOM 375 N GLN A 25 -23.731 -12.175 -8.253 1.00 0.00 N ATOM 376 CA GLN A 25 -23.212 -12.953 -9.414 1.00 0.00 C ATOM 377 C GLN A 25 -24.326 -13.175 -10.441 1.00 0.00 C ATOM 378 O GLN A 25 -24.145 -13.856 -11.430 1.00 0.00 O ATOM 379 CB GLN A 25 -22.753 -14.288 -8.824 1.00 0.00 C ATOM 380 CG GLN A 25 -21.227 -14.376 -8.886 1.00 0.00 C ATOM 381 CD GLN A 25 -20.789 -14.660 -10.325 1.00 0.00 C ATOM 382 OE1 GLN A 25 -20.804 -13.779 -11.162 1.00 0.00 O ATOM 383 NE2 GLN A 25 -20.400 -15.861 -10.650 1.00 0.00 N ATOM 0 H GLN A 25 -24.024 -12.734 -7.452 1.00 0.00 H new ATOM 0 HA GLN A 25 -22.403 -12.436 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -23.091 -14.377 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -23.198 -15.115 -9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -20.784 -13.443 -8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.871 -15.165 -8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.387 -16.601 -9.948 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.108 -16.061 -11.607 1.00 0.00 H new ATOM 392 N ASN A 26 -25.477 -12.603 -10.213 1.00 0.00 N ATOM 393 CA ASN A 26 -26.601 -12.780 -11.176 1.00 0.00 C ATOM 394 C ASN A 26 -27.231 -11.424 -11.509 1.00 0.00 C ATOM 395 O ASN A 26 -28.429 -11.253 -11.408 1.00 0.00 O ATOM 396 CB ASN A 26 -27.607 -13.673 -10.450 1.00 0.00 C ATOM 397 CG ASN A 26 -27.345 -15.137 -10.811 1.00 0.00 C ATOM 398 OD1 ASN A 26 -26.232 -15.506 -11.127 1.00 0.00 O ATOM 399 ND2 ASN A 26 -28.331 -15.991 -10.779 1.00 0.00 N ATOM 0 H ASN A 26 -25.687 -12.021 -9.402 1.00 0.00 H new ATOM 0 HA ASN A 26 -26.272 -13.218 -12.118 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -27.522 -13.533 -9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -28.623 -13.395 -10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -28.167 -16.969 -11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -29.266 -15.681 -10.514 1.00 0.00 H new ATOM 406 N PRO A 27 -26.392 -10.503 -11.897 1.00 0.00 N ATOM 407 CA PRO A 27 -26.863 -9.141 -12.251 1.00 0.00 C ATOM 408 C PRO A 27 -27.605 -9.162 -13.592 1.00 0.00 C ATOM 409 O PRO A 27 -28.278 -8.218 -13.955 1.00 0.00 O ATOM 410 CB PRO A 27 -25.574 -8.333 -12.356 1.00 0.00 C ATOM 411 CG PRO A 27 -24.511 -9.337 -12.665 1.00 0.00 C ATOM 412 CD PRO A 27 -24.939 -10.640 -12.042 1.00 0.00 C ATOM 0 HA PRO A 27 -27.562 -8.727 -11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -25.644 -7.579 -13.140 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -25.361 -7.807 -11.425 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -24.387 -9.447 -13.742 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -23.549 -9.016 -12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -24.679 -11.489 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -24.455 -10.800 -11.079 1.00 0.00 H new ATOM 420 N GLU A 28 -27.486 -10.232 -14.330 1.00 0.00 N ATOM 421 CA GLU A 28 -28.184 -10.311 -15.646 1.00 0.00 C ATOM 422 C GLU A 28 -29.698 -10.198 -15.449 1.00 0.00 C ATOM 423 O GLU A 28 -30.392 -9.590 -16.240 1.00 0.00 O ATOM 424 CB GLU A 28 -27.818 -11.686 -16.207 1.00 0.00 C ATOM 425 CG GLU A 28 -27.738 -11.609 -17.733 1.00 0.00 C ATOM 426 CD GLU A 28 -26.407 -12.197 -18.206 1.00 0.00 C ATOM 427 OE1 GLU A 28 -25.430 -12.048 -17.491 1.00 0.00 O ATOM 428 OE2 GLU A 28 -26.389 -12.786 -19.274 1.00 0.00 O ATOM 0 H GLU A 28 -26.937 -11.054 -14.080 1.00 0.00 H new ATOM 0 HA GLU A 28 -27.890 -9.505 -16.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -26.863 -12.015 -15.798 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -28.563 -12.423 -15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -28.568 -12.156 -18.179 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -27.827 -10.573 -18.060 1.00 0.00 H new ATOM 435 N ASP A 29 -30.215 -10.779 -14.402 1.00 0.00 N ATOM 436 CA ASP A 29 -31.684 -10.705 -14.155 1.00 0.00 C ATOM 437 C ASP A 29 -32.001 -9.560 -13.190 1.00 0.00 C ATOM 438 O ASP A 29 -32.561 -8.551 -13.570 1.00 0.00 O ATOM 439 CB ASP A 29 -32.050 -12.051 -13.530 1.00 0.00 C ATOM 440 CG ASP A 29 -32.433 -13.040 -14.633 1.00 0.00 C ATOM 441 OD1 ASP A 29 -31.539 -13.674 -15.170 1.00 0.00 O ATOM 442 OD2 ASP A 29 -33.613 -13.145 -14.924 1.00 0.00 O ATOM 0 H ASP A 29 -29.684 -11.302 -13.706 1.00 0.00 H new ATOM 0 HA ASP A 29 -32.247 -10.515 -15.069 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -31.208 -12.438 -12.956 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -32.880 -11.927 -12.834 1.00 0.00 H new ATOM 447 N TRP A 30 -31.647 -9.708 -11.942 1.00 0.00 N ATOM 448 CA TRP A 30 -31.928 -8.627 -10.954 1.00 0.00 C ATOM 449 C TRP A 30 -33.423 -8.294 -10.947 1.00 0.00 C ATOM 450 O TRP A 30 -34.150 -8.640 -11.856 1.00 0.00 O ATOM 451 CB TRP A 30 -31.114 -7.427 -11.437 1.00 0.00 C ATOM 452 CG TRP A 30 -31.410 -6.242 -10.574 1.00 0.00 C ATOM 453 CD1 TRP A 30 -30.619 -5.793 -9.572 1.00 0.00 C ATOM 454 CD2 TRP A 30 -32.563 -5.350 -10.617 1.00 0.00 C ATOM 455 NE1 TRP A 30 -31.212 -4.682 -8.998 1.00 0.00 N ATOM 456 CE2 TRP A 30 -32.410 -4.370 -9.607 1.00 0.00 C ATOM 457 CE3 TRP A 30 -33.713 -5.298 -11.428 1.00 0.00 C ATOM 458 CZ2 TRP A 30 -33.367 -3.373 -9.408 1.00 0.00 C ATOM 459 CZ3 TRP A 30 -34.678 -4.295 -11.230 1.00 0.00 C ATOM 460 CH2 TRP A 30 -34.504 -3.334 -10.222 1.00 0.00 C ATOM 0 H TRP A 30 -31.176 -10.530 -11.564 1.00 0.00 H new ATOM 0 HA TRP A 30 -31.662 -8.917 -9.937 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -30.049 -7.659 -11.402 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -31.358 -7.203 -12.476 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -29.679 -6.230 -9.270 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -30.812 -4.158 -8.220 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -33.854 -6.033 -12.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -33.230 -2.636 -8.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -35.557 -4.264 -11.856 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -35.248 -2.565 -10.075 1.00 0.00 H new ATOM 471 N ASP A 31 -33.885 -7.624 -9.927 1.00 0.00 N ATOM 472 CA ASP A 31 -35.332 -7.270 -9.862 1.00 0.00 C ATOM 473 C ASP A 31 -35.595 -6.342 -8.674 1.00 0.00 C ATOM 474 O ASP A 31 -34.681 -5.891 -8.013 1.00 0.00 O ATOM 475 CB ASP A 31 -36.058 -8.602 -9.672 1.00 0.00 C ATOM 476 CG ASP A 31 -37.191 -8.717 -10.693 1.00 0.00 C ATOM 477 OD1 ASP A 31 -37.632 -7.687 -11.176 1.00 0.00 O ATOM 478 OD2 ASP A 31 -37.598 -9.831 -10.974 1.00 0.00 O ATOM 0 H ASP A 31 -33.324 -7.307 -9.136 1.00 0.00 H new ATOM 0 HA ASP A 31 -35.670 -6.746 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -35.359 -9.430 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -36.458 -8.669 -8.660 1.00 0.00 H new ATOM 483 N GLU A 32 -36.837 -6.055 -8.397 1.00 0.00 N ATOM 484 CA GLU A 32 -37.157 -5.157 -7.250 1.00 0.00 C ATOM 485 C GLU A 32 -36.899 -5.881 -5.927 1.00 0.00 C ATOM 486 O GLU A 32 -36.372 -5.314 -4.990 1.00 0.00 O ATOM 487 CB GLU A 32 -38.643 -4.832 -7.405 1.00 0.00 C ATOM 488 CG GLU A 32 -38.802 -3.388 -7.883 1.00 0.00 C ATOM 489 CD GLU A 32 -38.289 -3.265 -9.319 1.00 0.00 C ATOM 490 OE1 GLU A 32 -38.231 -4.279 -9.996 1.00 0.00 O ATOM 491 OE2 GLU A 32 -37.962 -2.160 -9.717 1.00 0.00 O ATOM 0 H GLU A 32 -37.644 -6.403 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 32 -36.543 -4.257 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -39.103 -5.515 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -39.158 -4.970 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -39.850 -3.091 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -38.248 -2.714 -7.229 1.00 0.00 H new ATOM 498 N LYS A 33 -37.265 -7.130 -5.843 1.00 0.00 N ATOM 499 CA LYS A 33 -37.040 -7.891 -4.580 1.00 0.00 C ATOM 500 C LYS A 33 -35.544 -8.149 -4.378 1.00 0.00 C ATOM 501 O LYS A 33 -35.057 -8.198 -3.266 1.00 0.00 O ATOM 502 CB LYS A 33 -37.791 -9.209 -4.772 1.00 0.00 C ATOM 503 CG LYS A 33 -39.090 -9.180 -3.961 1.00 0.00 C ATOM 504 CD LYS A 33 -40.086 -10.176 -4.560 1.00 0.00 C ATOM 505 CE LYS A 33 -41.513 -9.662 -4.347 1.00 0.00 C ATOM 506 NZ LYS A 33 -42.303 -10.236 -5.474 1.00 0.00 N ATOM 0 H LYS A 33 -37.710 -7.658 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 33 -37.390 -7.348 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -38.013 -9.363 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -37.168 -10.044 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -38.888 -9.433 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -39.514 -8.176 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -39.890 -10.307 -5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -39.966 -11.153 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -41.909 -9.984 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -41.546 -8.573 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -43.293 -9.928 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -41.908 -9.907 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -42.260 -11.274 -5.435 1.00 0.00 H new ATOM 520 N VAL A 34 -34.811 -8.314 -5.446 1.00 0.00 N ATOM 521 CA VAL A 34 -33.348 -8.569 -5.315 1.00 0.00 C ATOM 522 C VAL A 34 -32.635 -7.307 -4.824 1.00 0.00 C ATOM 523 O VAL A 34 -31.883 -7.339 -3.870 1.00 0.00 O ATOM 524 CB VAL A 34 -32.881 -8.936 -6.724 1.00 0.00 C ATOM 525 CG1 VAL A 34 -31.410 -9.356 -6.681 1.00 0.00 C ATOM 526 CG2 VAL A 34 -33.725 -10.099 -7.252 1.00 0.00 C ATOM 0 H VAL A 34 -35.162 -8.283 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 34 -33.129 -9.358 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 34 -32.994 -8.074 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -31.077 -9.618 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -30.807 -8.531 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -31.297 -10.219 -6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.394 -10.362 -8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -33.609 -10.960 -6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -34.774 -9.803 -7.282 1.00 0.00 H new ATOM 536 N ALA A 35 -32.865 -6.195 -5.467 1.00 0.00 N ATOM 537 CA ALA A 35 -32.199 -4.933 -5.035 1.00 0.00 C ATOM 538 C ALA A 35 -32.585 -4.603 -3.590 1.00 0.00 C ATOM 539 O ALA A 35 -31.738 -4.416 -2.739 1.00 0.00 O ATOM 540 CB ALA A 35 -32.726 -3.861 -5.988 1.00 0.00 C ATOM 0 H ALA A 35 -33.485 -6.105 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 35 -31.112 -5.006 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -32.281 -2.899 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -32.463 -4.124 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -33.810 -3.795 -5.897 1.00 0.00 H new ATOM 546 N GLU A 36 -33.856 -4.528 -3.310 1.00 0.00 N ATOM 547 CA GLU A 36 -34.298 -4.210 -1.921 1.00 0.00 C ATOM 548 C GLU A 36 -33.683 -5.202 -0.930 1.00 0.00 C ATOM 549 O GLU A 36 -33.274 -4.838 0.154 1.00 0.00 O ATOM 550 CB GLU A 36 -35.820 -4.354 -1.950 1.00 0.00 C ATOM 551 CG GLU A 36 -36.389 -4.022 -0.569 1.00 0.00 C ATOM 552 CD GLU A 36 -36.805 -5.315 0.135 1.00 0.00 C ATOM 553 OE1 GLU A 36 -37.931 -5.739 -0.065 1.00 0.00 O ATOM 554 OE2 GLU A 36 -35.990 -5.859 0.863 1.00 0.00 O ATOM 0 H GLU A 36 -34.609 -4.673 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 36 -33.988 -3.214 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -36.245 -3.687 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -36.095 -5.370 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -35.643 -3.495 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -37.247 -3.357 -0.668 1.00 0.00 H new ATOM 561 N TRP A 37 -33.615 -6.453 -1.295 1.00 0.00 N ATOM 562 CA TRP A 37 -33.027 -7.468 -0.373 1.00 0.00 C ATOM 563 C TRP A 37 -31.542 -7.173 -0.140 1.00 0.00 C ATOM 564 O TRP A 37 -31.006 -7.441 0.918 1.00 0.00 O ATOM 565 CB TRP A 37 -33.201 -8.804 -1.095 1.00 0.00 C ATOM 566 CG TRP A 37 -32.631 -9.902 -0.256 1.00 0.00 C ATOM 567 CD1 TRP A 37 -33.258 -10.483 0.793 1.00 0.00 C ATOM 568 CD2 TRP A 37 -31.336 -10.560 -0.374 1.00 0.00 C ATOM 569 NE1 TRP A 37 -32.431 -11.455 1.326 1.00 0.00 N ATOM 570 CE2 TRP A 37 -31.235 -11.541 0.640 1.00 0.00 C ATOM 571 CE3 TRP A 37 -30.251 -10.402 -1.257 1.00 0.00 C ATOM 572 CZ2 TRP A 37 -30.096 -12.337 0.775 1.00 0.00 C ATOM 573 CZ3 TRP A 37 -29.103 -11.200 -1.125 1.00 0.00 C ATOM 574 CH2 TRP A 37 -29.026 -12.166 -0.110 1.00 0.00 C ATOM 0 H TRP A 37 -33.941 -6.817 -2.191 1.00 0.00 H new ATOM 0 HA TRP A 37 -33.508 -7.467 0.605 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -34.257 -8.990 -1.288 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -32.701 -8.774 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -34.243 -10.229 1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -32.674 -12.037 2.127 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -30.302 -9.662 -2.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -30.041 -13.080 1.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -28.276 -11.070 -1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -28.141 -12.777 -0.012 1.00 0.00 H new ATOM 585 N LEU A 38 -30.875 -6.625 -1.117 1.00 0.00 N ATOM 586 CA LEU A 38 -29.426 -6.315 -0.950 1.00 0.00 C ATOM 587 C LEU A 38 -29.240 -5.147 0.022 1.00 0.00 C ATOM 588 O LEU A 38 -28.388 -5.177 0.888 1.00 0.00 O ATOM 589 CB LEU A 38 -28.941 -5.928 -2.348 1.00 0.00 C ATOM 590 CG LEU A 38 -28.254 -7.127 -3.003 1.00 0.00 C ATOM 591 CD1 LEU A 38 -28.069 -6.857 -4.497 1.00 0.00 C ATOM 592 CD2 LEU A 38 -26.888 -7.348 -2.352 1.00 0.00 C ATOM 0 H LEU A 38 -31.270 -6.378 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 38 -28.869 -7.159 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -29.783 -5.600 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -28.248 -5.089 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 38 -28.870 -8.016 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -27.579 -7.712 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -29.042 -6.699 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -27.453 -5.968 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -26.397 -8.202 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -26.273 -6.458 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -27.019 -7.541 -1.287 1.00 0.00 H new ATOM 604 N ALA A 39 -30.030 -4.118 -0.116 1.00 0.00 N ATOM 605 CA ALA A 39 -29.898 -2.948 0.799 1.00 0.00 C ATOM 606 C ALA A 39 -30.359 -3.320 2.210 1.00 0.00 C ATOM 607 O ALA A 39 -29.877 -2.790 3.191 1.00 0.00 O ATOM 608 CB ALA A 39 -30.810 -1.875 0.203 1.00 0.00 C ATOM 0 H ALA A 39 -30.761 -4.036 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.866 -2.607 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -30.769 -0.978 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -30.478 -1.635 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -31.834 -2.246 0.170 1.00 0.00 H new ATOM 614 N ARG A 40 -31.291 -4.226 2.320 1.00 0.00 N ATOM 615 CA ARG A 40 -31.785 -4.629 3.669 1.00 0.00 C ATOM 616 C ARG A 40 -30.777 -5.558 4.351 1.00 0.00 C ATOM 617 O ARG A 40 -30.588 -5.511 5.551 1.00 0.00 O ATOM 618 CB ARG A 40 -33.098 -5.366 3.403 1.00 0.00 C ATOM 619 CG ARG A 40 -33.969 -5.329 4.659 1.00 0.00 C ATOM 620 CD ARG A 40 -34.655 -6.685 4.845 1.00 0.00 C ATOM 621 NE ARG A 40 -35.995 -6.527 4.216 1.00 0.00 N ATOM 622 CZ ARG A 40 -36.858 -7.505 4.264 1.00 0.00 C ATOM 623 NH1 ARG A 40 -36.531 -8.686 3.815 1.00 0.00 N ATOM 624 NH2 ARG A 40 -38.047 -7.302 4.761 1.00 0.00 N ATOM 0 H ARG A 40 -31.732 -4.705 1.535 1.00 0.00 H new ATOM 0 HA ARG A 40 -31.922 -3.773 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -33.625 -4.902 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -32.896 -6.399 3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -33.358 -5.096 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -34.716 -4.540 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -34.087 -7.484 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -34.742 -6.942 5.901 1.00 0.00 H new ATOM 0 HE ARG A 40 -36.239 -5.654 3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -35.601 -8.845 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -37.205 -9.450 3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -38.302 -6.379 5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -38.721 -8.066 4.798 1.00 0.00 H new ATOM 638 N GLU A 41 -30.131 -6.405 3.598 1.00 0.00 N ATOM 639 CA GLU A 41 -29.139 -7.339 4.207 1.00 0.00 C ATOM 640 C GLU A 41 -27.830 -6.606 4.517 1.00 0.00 C ATOM 641 O GLU A 41 -27.094 -6.986 5.406 1.00 0.00 O ATOM 642 CB GLU A 41 -28.910 -8.417 3.147 1.00 0.00 C ATOM 643 CG GLU A 41 -30.221 -9.161 2.882 1.00 0.00 C ATOM 644 CD GLU A 41 -30.145 -10.562 3.492 1.00 0.00 C ATOM 645 OE1 GLU A 41 -29.116 -11.198 3.339 1.00 0.00 O ATOM 646 OE2 GLU A 41 -31.119 -10.974 4.101 1.00 0.00 O ATOM 0 H GLU A 41 -30.246 -6.492 2.588 1.00 0.00 H new ATOM 0 HA GLU A 41 -29.495 -7.757 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -28.544 -7.964 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -28.145 -9.116 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -31.057 -8.610 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -30.402 -9.229 1.809 1.00 0.00 H new ATOM 653 N LEU A 42 -27.531 -5.563 3.792 1.00 0.00 N ATOM 654 CA LEU A 42 -26.264 -4.819 4.049 1.00 0.00 C ATOM 655 C LEU A 42 -26.532 -3.583 4.915 1.00 0.00 C ATOM 656 O LEU A 42 -26.031 -3.465 6.015 1.00 0.00 O ATOM 657 CB LEU A 42 -25.758 -4.407 2.667 1.00 0.00 C ATOM 658 CG LEU A 42 -24.496 -5.201 2.328 1.00 0.00 C ATOM 659 CD1 LEU A 42 -24.770 -6.696 2.500 1.00 0.00 C ATOM 660 CD2 LEU A 42 -24.092 -4.922 0.878 1.00 0.00 C ATOM 0 H LEU A 42 -28.107 -5.194 3.035 1.00 0.00 H new ATOM 0 HA LEU A 42 -25.535 -5.426 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -26.528 -4.589 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -25.544 -3.338 2.650 1.00 0.00 H new ATOM 0 HG LEU A 42 -23.689 -4.900 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -23.870 -7.261 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -25.058 -6.897 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -25.578 -6.997 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -23.192 -5.488 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -24.900 -5.222 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.895 -3.857 0.754 1.00 0.00 H new ATOM 672 N GLU A 43 -27.314 -2.660 4.427 1.00 0.00 N ATOM 673 CA GLU A 43 -27.606 -1.434 5.225 1.00 0.00 C ATOM 674 C GLU A 43 -28.686 -1.726 6.271 1.00 0.00 C ATOM 675 O GLU A 43 -28.401 -1.908 7.438 1.00 0.00 O ATOM 676 CB GLU A 43 -28.108 -0.407 4.209 1.00 0.00 C ATOM 677 CG GLU A 43 -26.917 0.323 3.588 1.00 0.00 C ATOM 678 CD GLU A 43 -26.864 0.032 2.088 1.00 0.00 C ATOM 679 OE1 GLU A 43 -27.741 0.500 1.382 1.00 0.00 O ATOM 680 OE2 GLU A 43 -25.945 -0.653 1.670 1.00 0.00 O ATOM 0 H GLU A 43 -27.763 -2.701 3.512 1.00 0.00 H new ATOM 0 HA GLU A 43 -26.729 -1.077 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -28.689 -0.903 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.772 0.307 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.006 1.396 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -25.991 0.001 4.064 1.00 0.00 H new ATOM 687 N GLY A 44 -29.923 -1.772 5.861 1.00 0.00 N ATOM 688 CA GLY A 44 -31.020 -2.052 6.830 1.00 0.00 C ATOM 689 C GLY A 44 -32.251 -1.219 6.464 1.00 0.00 C ATOM 690 O GLY A 44 -32.811 -0.527 7.291 1.00 0.00 O ATOM 0 H GLY A 44 -30.222 -1.628 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -31.269 -3.113 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -30.695 -1.814 7.843 1.00 0.00 H new ATOM 694 N ILE A 45 -32.675 -1.280 5.231 1.00 0.00 N ATOM 695 CA ILE A 45 -33.870 -0.492 4.814 1.00 0.00 C ATOM 696 C ILE A 45 -35.027 -1.432 4.467 1.00 0.00 C ATOM 697 O ILE A 45 -35.015 -2.100 3.453 1.00 0.00 O ATOM 698 CB ILE A 45 -33.420 0.287 3.578 1.00 0.00 C ATOM 699 CG1 ILE A 45 -32.523 1.451 4.007 1.00 0.00 C ATOM 700 CG2 ILE A 45 -34.646 0.835 2.846 1.00 0.00 C ATOM 701 CD1 ILE A 45 -31.311 1.535 3.075 1.00 0.00 C ATOM 0 H ILE A 45 -32.246 -1.841 4.495 1.00 0.00 H new ATOM 0 HA ILE A 45 -34.225 0.170 5.604 1.00 0.00 H new ATOM 0 HB ILE A 45 -32.865 -0.376 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -33.083 2.386 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -32.194 1.310 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -34.325 1.391 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -35.287 0.008 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -35.201 1.498 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -30.673 2.364 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -30.746 0.604 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -31.650 1.697 2.052 1.00 0.00 H new ATOM 713 N GLN A 46 -36.029 -1.488 5.302 1.00 0.00 N ATOM 714 CA GLN A 46 -37.187 -2.385 5.020 1.00 0.00 C ATOM 715 C GLN A 46 -37.580 -2.297 3.543 1.00 0.00 C ATOM 716 O GLN A 46 -37.845 -3.294 2.901 1.00 0.00 O ATOM 717 CB GLN A 46 -38.317 -1.864 5.907 1.00 0.00 C ATOM 718 CG GLN A 46 -39.531 -2.787 5.785 1.00 0.00 C ATOM 719 CD GLN A 46 -39.899 -3.331 7.167 1.00 0.00 C ATOM 720 OE1 GLN A 46 -39.156 -4.094 7.751 1.00 0.00 O ATOM 721 NE2 GLN A 46 -41.025 -2.967 7.719 1.00 0.00 N ATOM 0 H GLN A 46 -36.096 -0.952 6.167 1.00 0.00 H new ATOM 0 HA GLN A 46 -36.957 -3.431 5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -37.986 -1.816 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -38.587 -0.850 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -40.374 -2.242 5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -39.309 -3.610 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -41.649 -2.326 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -41.280 -3.323 8.640 1.00 0.00 H new ATOM 730 N LYS A 47 -37.619 -1.111 2.999 1.00 0.00 N ATOM 731 CA LYS A 47 -37.995 -0.961 1.564 1.00 0.00 C ATOM 732 C LYS A 47 -37.232 0.208 0.936 1.00 0.00 C ATOM 733 O LYS A 47 -37.002 1.221 1.566 1.00 0.00 O ATOM 734 CB LYS A 47 -39.497 -0.677 1.576 1.00 0.00 C ATOM 735 CG LYS A 47 -39.783 0.525 2.479 1.00 0.00 C ATOM 736 CD LYS A 47 -39.953 1.779 1.621 1.00 0.00 C ATOM 737 CE LYS A 47 -39.703 3.023 2.479 1.00 0.00 C ATOM 738 NZ LYS A 47 -40.680 4.033 1.985 1.00 0.00 N ATOM 0 H LYS A 47 -37.407 -0.240 3.486 1.00 0.00 H new ATOM 0 HA LYS A 47 -37.753 -1.848 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.848 -0.476 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.040 -1.552 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.685 0.347 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -38.966 0.664 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -39.256 1.756 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -40.958 1.811 1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -39.856 2.810 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -38.678 3.378 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -40.570 4.915 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -40.506 4.220 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -41.647 3.670 2.108 1.00 0.00 H new ATOM 752 N MET A 48 -36.837 0.074 -0.301 1.00 0.00 N ATOM 753 CA MET A 48 -36.088 1.178 -0.968 1.00 0.00 C ATOM 754 C MET A 48 -36.922 2.462 -0.962 1.00 0.00 C ATOM 755 O MET A 48 -38.049 2.485 -1.415 1.00 0.00 O ATOM 756 CB MET A 48 -35.860 0.693 -2.399 1.00 0.00 C ATOM 757 CG MET A 48 -34.996 -0.568 -2.380 1.00 0.00 C ATOM 758 SD MET A 48 -34.109 -0.719 -3.950 1.00 0.00 S ATOM 759 CE MET A 48 -32.878 0.572 -3.641 1.00 0.00 C ATOM 0 H MET A 48 -37.000 -0.751 -0.878 1.00 0.00 H new ATOM 0 HA MET A 48 -35.151 1.407 -0.461 1.00 0.00 H new ATOM 0 HB2 MET A 48 -36.816 0.484 -2.880 1.00 0.00 H new ATOM 0 HB3 MET A 48 -35.372 1.472 -2.985 1.00 0.00 H new ATOM 0 HG2 MET A 48 -34.287 -0.523 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 48 -35.620 -1.447 -2.217 1.00 0.00 H new ATOM 0 HE1 MET A 48 -32.975 1.355 -4.393 1.00 0.00 H new ATOM 0 HE2 MET A 48 -33.039 0.998 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 48 -31.878 0.141 -3.693 1.00 0.00 H new ATOM 769 N THR A 49 -36.377 3.531 -0.450 1.00 0.00 N ATOM 770 CA THR A 49 -37.139 4.813 -0.412 1.00 0.00 C ATOM 771 C THR A 49 -37.282 5.386 -1.825 1.00 0.00 C ATOM 772 O THR A 49 -36.549 5.032 -2.728 1.00 0.00 O ATOM 773 CB THR A 49 -36.301 5.746 0.462 1.00 0.00 C ATOM 774 OG1 THR A 49 -35.155 6.170 -0.264 1.00 0.00 O ATOM 775 CG2 THR A 49 -35.862 5.004 1.726 1.00 0.00 C ATOM 0 H THR A 49 -35.437 3.573 -0.056 1.00 0.00 H new ATOM 0 HA THR A 49 -38.147 4.682 -0.019 1.00 0.00 H new ATOM 0 HB THR A 49 -36.896 6.616 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 49 -34.415 5.549 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 49 -35.264 5.669 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 49 -36.742 4.679 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 49 -35.266 4.134 1.449 1.00 0.00 H new ATOM 783 N GLU A 50 -38.221 6.270 -2.023 1.00 0.00 N ATOM 784 CA GLU A 50 -38.414 6.867 -3.376 1.00 0.00 C ATOM 785 C GLU A 50 -37.099 7.467 -3.884 1.00 0.00 C ATOM 786 O GLU A 50 -36.867 7.558 -5.073 1.00 0.00 O ATOM 787 CB GLU A 50 -39.460 7.964 -3.179 1.00 0.00 C ATOM 788 CG GLU A 50 -40.690 7.660 -4.036 1.00 0.00 C ATOM 789 CD GLU A 50 -41.250 8.965 -4.606 1.00 0.00 C ATOM 790 OE1 GLU A 50 -41.223 9.958 -3.897 1.00 0.00 O ATOM 791 OE2 GLU A 50 -41.696 8.949 -5.741 1.00 0.00 O ATOM 0 H GLU A 50 -38.864 6.605 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 50 -38.731 6.127 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -39.743 8.026 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -39.042 8.932 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -40.423 6.982 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -41.449 7.157 -3.436 1.00 0.00 H new ATOM 798 N GLU A 51 -36.239 7.879 -2.993 1.00 0.00 N ATOM 799 CA GLU A 51 -34.943 8.475 -3.426 1.00 0.00 C ATOM 800 C GLU A 51 -34.004 7.386 -3.951 1.00 0.00 C ATOM 801 O GLU A 51 -33.323 7.564 -4.942 1.00 0.00 O ATOM 802 CB GLU A 51 -34.363 9.118 -2.165 1.00 0.00 C ATOM 803 CG GLU A 51 -34.922 10.534 -2.009 1.00 0.00 C ATOM 804 CD GLU A 51 -35.678 10.640 -0.683 1.00 0.00 C ATOM 805 OE1 GLU A 51 -35.480 9.780 0.159 1.00 0.00 O ATOM 806 OE2 GLU A 51 -36.440 11.580 -0.532 1.00 0.00 O ATOM 0 H GLU A 51 -36.378 7.829 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 51 -35.072 9.197 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -34.614 8.518 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -33.275 9.150 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -34.111 11.262 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -35.588 10.767 -2.840 1.00 0.00 H new ATOM 813 N HIS A 52 -33.962 6.260 -3.293 1.00 0.00 N ATOM 814 CA HIS A 52 -33.065 5.161 -3.752 1.00 0.00 C ATOM 815 C HIS A 52 -33.464 4.696 -5.155 1.00 0.00 C ATOM 816 O HIS A 52 -32.637 4.566 -6.036 1.00 0.00 O ATOM 817 CB HIS A 52 -33.266 4.036 -2.737 1.00 0.00 C ATOM 818 CG HIS A 52 -32.330 4.233 -1.576 1.00 0.00 C ATOM 819 ND1 HIS A 52 -32.787 4.587 -0.301 1.00 0.00 N ATOM 820 CD2 HIS A 52 -30.960 4.132 -1.473 1.00 0.00 C ATOM 821 CE1 HIS A 52 -31.710 4.685 0.505 1.00 0.00 C ATOM 822 NE2 HIS A 52 -30.603 4.417 -0.170 1.00 0.00 N ATOM 0 H HIS A 52 -34.510 6.053 -2.458 1.00 0.00 H new ATOM 0 HA HIS A 52 -32.024 5.478 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -34.298 4.027 -2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -33.081 3.070 -3.207 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -30.282 3.874 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -31.746 4.945 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -29.655 4.420 0.206 1.00 0.00 H new ATOM 830 N TRP A 53 -34.726 4.439 -5.369 1.00 0.00 N ATOM 831 CA TRP A 53 -35.175 3.979 -6.714 1.00 0.00 C ATOM 832 C TRP A 53 -34.974 5.087 -7.752 1.00 0.00 C ATOM 833 O TRP A 53 -34.714 4.826 -8.910 1.00 0.00 O ATOM 834 CB TRP A 53 -36.661 3.660 -6.549 1.00 0.00 C ATOM 835 CG TRP A 53 -36.821 2.221 -6.179 1.00 0.00 C ATOM 836 CD1 TRP A 53 -37.646 1.754 -5.213 1.00 0.00 C ATOM 837 CD2 TRP A 53 -36.156 1.056 -6.748 1.00 0.00 C ATOM 838 NE1 TRP A 53 -37.529 0.378 -5.152 1.00 0.00 N ATOM 839 CE2 TRP A 53 -36.624 -0.101 -6.079 1.00 0.00 C ATOM 840 CE3 TRP A 53 -35.202 0.892 -7.771 1.00 0.00 C ATOM 841 CZ2 TRP A 53 -36.161 -1.375 -6.412 1.00 0.00 C ATOM 842 CZ3 TRP A 53 -34.734 -0.389 -8.109 1.00 0.00 C ATOM 843 CH2 TRP A 53 -35.213 -1.520 -7.431 1.00 0.00 C ATOM 0 H TRP A 53 -35.465 4.528 -4.671 1.00 0.00 H new ATOM 0 HA TRP A 53 -34.609 3.115 -7.063 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -37.097 4.296 -5.779 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -37.195 3.870 -7.476 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -38.290 2.358 -4.591 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -38.048 -0.212 -4.502 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -34.828 1.757 -8.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -36.532 -2.243 -5.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -34.002 -0.504 -8.895 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -34.850 -2.502 -7.695 1.00 0.00 H new ATOM 854 N LYS A 54 -35.094 6.322 -7.349 1.00 0.00 N ATOM 855 CA LYS A 54 -34.909 7.442 -8.316 1.00 0.00 C ATOM 856 C LYS A 54 -33.468 7.467 -8.832 1.00 0.00 C ATOM 857 O LYS A 54 -33.212 7.232 -9.997 1.00 0.00 O ATOM 858 CB LYS A 54 -35.213 8.710 -7.517 1.00 0.00 C ATOM 859 CG LYS A 54 -36.090 9.644 -8.353 1.00 0.00 C ATOM 860 CD LYS A 54 -36.853 10.593 -7.426 1.00 0.00 C ATOM 861 CE LYS A 54 -38.268 10.809 -7.968 1.00 0.00 C ATOM 862 NZ LYS A 54 -39.002 11.486 -6.864 1.00 0.00 N ATOM 0 H LYS A 54 -35.312 6.604 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 54 -35.556 7.343 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -35.720 8.453 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -34.285 9.212 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -35.473 10.215 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -36.791 9.063 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -36.897 10.177 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -36.330 11.547 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -38.257 11.422 -8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -38.738 9.862 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -39.982 11.668 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -39.002 10.876 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -38.535 12.388 -6.638 1.00 0.00 H new ATOM 876 N LEU A 55 -32.527 7.751 -7.975 1.00 0.00 N ATOM 877 CA LEU A 55 -31.103 7.793 -8.416 1.00 0.00 C ATOM 878 C LEU A 55 -30.722 6.481 -9.108 1.00 0.00 C ATOM 879 O LEU A 55 -30.169 6.476 -10.191 1.00 0.00 O ATOM 880 CB LEU A 55 -30.296 7.976 -7.131 1.00 0.00 C ATOM 881 CG LEU A 55 -29.088 8.872 -7.408 1.00 0.00 C ATOM 882 CD1 LEU A 55 -29.388 10.294 -6.930 1.00 0.00 C ATOM 883 CD2 LEU A 55 -27.869 8.330 -6.660 1.00 0.00 C ATOM 0 H LEU A 55 -32.682 7.956 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 55 -30.917 8.593 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -30.921 8.421 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -29.965 7.007 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 55 -28.882 8.884 -8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -28.527 10.933 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -30.257 10.681 -7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -29.594 10.282 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -27.008 8.968 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -28.075 8.318 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -27.655 7.317 -6.999 1.00 0.00 H new ATOM 895 N VAL A 56 -31.010 5.368 -8.490 1.00 0.00 N ATOM 896 CA VAL A 56 -30.661 4.057 -9.112 1.00 0.00 C ATOM 897 C VAL A 56 -31.270 3.954 -10.513 1.00 0.00 C ATOM 898 O VAL A 56 -30.720 3.322 -11.394 1.00 0.00 O ATOM 899 CB VAL A 56 -31.269 3.006 -8.185 1.00 0.00 C ATOM 900 CG1 VAL A 56 -31.298 1.652 -8.896 1.00 0.00 C ATOM 901 CG2 VAL A 56 -30.421 2.896 -6.916 1.00 0.00 C ATOM 0 H VAL A 56 -31.471 5.309 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 56 -29.585 3.928 -9.226 1.00 0.00 H new ATOM 0 HB VAL A 56 -32.285 3.299 -7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -31.732 0.903 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -31.901 1.729 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -30.282 1.358 -9.160 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -30.853 2.146 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.405 2.603 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -30.399 3.860 -6.408 1.00 0.00 H new ATOM 911 N LYS A 57 -32.400 4.569 -10.727 1.00 0.00 N ATOM 912 CA LYS A 57 -33.042 4.502 -12.072 1.00 0.00 C ATOM 913 C LYS A 57 -32.229 5.312 -13.087 1.00 0.00 C ATOM 914 O LYS A 57 -31.954 4.857 -14.181 1.00 0.00 O ATOM 915 CB LYS A 57 -34.427 5.120 -11.881 1.00 0.00 C ATOM 916 CG LYS A 57 -35.251 4.930 -13.156 1.00 0.00 C ATOM 917 CD LYS A 57 -36.739 5.076 -12.830 1.00 0.00 C ATOM 918 CE LYS A 57 -37.401 3.697 -12.838 1.00 0.00 C ATOM 919 NZ LYS A 57 -38.280 3.686 -11.635 1.00 0.00 N ATOM 0 H LYS A 57 -32.907 5.115 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 57 -33.099 3.482 -12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -34.932 4.652 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -34.335 6.181 -11.650 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -34.958 5.667 -13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -35.057 3.947 -13.584 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -36.864 5.545 -11.854 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -37.220 5.726 -13.561 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -37.977 3.541 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -36.657 2.902 -12.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -38.770 2.771 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -37.703 3.830 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -38.982 4.450 -11.711 1.00 0.00 H new ATOM 933 N TYR A 58 -31.844 6.507 -12.734 1.00 0.00 N ATOM 934 CA TYR A 58 -31.050 7.344 -13.681 1.00 0.00 C ATOM 935 C TYR A 58 -29.737 6.643 -14.040 1.00 0.00 C ATOM 936 O TYR A 58 -29.250 6.746 -15.148 1.00 0.00 O ATOM 937 CB TYR A 58 -30.774 8.643 -12.922 1.00 0.00 C ATOM 938 CG TYR A 58 -31.926 9.598 -13.122 1.00 0.00 C ATOM 939 CD1 TYR A 58 -33.153 9.357 -12.490 1.00 0.00 C ATOM 940 CD2 TYR A 58 -31.769 10.724 -13.940 1.00 0.00 C ATOM 941 CE1 TYR A 58 -34.223 10.243 -12.676 1.00 0.00 C ATOM 942 CE2 TYR A 58 -32.838 11.609 -14.127 1.00 0.00 C ATOM 943 CZ TYR A 58 -34.065 11.369 -13.494 1.00 0.00 C ATOM 944 OH TYR A 58 -35.118 12.242 -13.678 1.00 0.00 O ATOM 0 H TYR A 58 -32.044 6.941 -11.833 1.00 0.00 H new ATOM 0 HA TYR A 58 -31.579 7.521 -14.618 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -30.640 8.435 -11.860 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -29.848 9.094 -13.277 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -33.274 8.489 -11.860 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -30.823 10.910 -14.427 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -35.169 10.058 -12.189 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -32.717 12.476 -14.759 1.00 0.00 H new ATOM 0 HH TYR A 58 -34.840 12.970 -14.273 1.00 0.00 H new ATOM 954 N LEU A 59 -29.160 5.931 -13.111 1.00 0.00 N ATOM 955 CA LEU A 59 -27.878 5.225 -13.400 1.00 0.00 C ATOM 956 C LEU A 59 -28.098 4.119 -14.435 1.00 0.00 C ATOM 957 O LEU A 59 -27.317 3.945 -15.349 1.00 0.00 O ATOM 958 CB LEU A 59 -27.444 4.628 -12.060 1.00 0.00 C ATOM 959 CG LEU A 59 -26.045 5.132 -11.705 1.00 0.00 C ATOM 960 CD1 LEU A 59 -26.155 6.471 -10.972 1.00 0.00 C ATOM 961 CD2 LEU A 59 -25.352 4.113 -10.799 1.00 0.00 C ATOM 0 H LEU A 59 -29.520 5.807 -12.165 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.124 5.895 -13.812 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -28.151 4.907 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.446 3.540 -12.117 1.00 0.00 H new ATOM 0 HG LEU A 59 -25.464 5.264 -12.618 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -25.158 6.830 -10.719 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -26.650 7.198 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.736 6.339 -10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.354 4.471 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.934 3.982 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.273 3.158 -11.319 1.00 0.00 H new ATOM 973 N ARG A 60 -29.156 3.366 -14.296 1.00 0.00 N ATOM 974 CA ARG A 60 -29.423 2.270 -15.272 1.00 0.00 C ATOM 975 C ARG A 60 -29.458 2.822 -16.699 1.00 0.00 C ATOM 976 O ARG A 60 -28.735 2.374 -17.567 1.00 0.00 O ATOM 977 CB ARG A 60 -30.792 1.715 -14.878 1.00 0.00 C ATOM 978 CG ARG A 60 -30.980 0.329 -15.496 1.00 0.00 C ATOM 979 CD ARG A 60 -31.009 -0.726 -14.388 1.00 0.00 C ATOM 980 NE ARG A 60 -32.012 -1.729 -14.840 1.00 0.00 N ATOM 981 CZ ARG A 60 -31.618 -2.886 -15.296 1.00 0.00 C ATOM 982 NH1 ARG A 60 -30.859 -3.653 -14.562 1.00 0.00 N ATOM 983 NH2 ARG A 60 -31.980 -3.274 -16.489 1.00 0.00 N ATOM 0 H ARG A 60 -29.846 3.462 -13.551 1.00 0.00 H new ATOM 0 HA ARG A 60 -28.649 1.503 -15.251 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -30.873 1.654 -13.793 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -31.580 2.386 -15.219 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -31.908 0.297 -16.067 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -30.169 0.117 -16.193 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -30.028 -1.182 -14.251 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -31.293 -0.287 -13.432 1.00 0.00 H new ATOM 0 HE ARG A 60 -33.007 -1.512 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -30.574 -3.348 -13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -30.551 -4.558 -14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -32.570 -2.673 -17.064 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -31.672 -4.178 -16.846 1.00 0.00 H new ATOM 997 N GLU A 61 -30.294 3.792 -16.950 1.00 0.00 N ATOM 998 CA GLU A 61 -30.378 4.372 -18.322 1.00 0.00 C ATOM 999 C GLU A 61 -28.980 4.731 -18.835 1.00 0.00 C ATOM 1000 O GLU A 61 -28.729 4.746 -20.023 1.00 0.00 O ATOM 1001 CB GLU A 61 -31.231 5.630 -18.168 1.00 0.00 C ATOM 1002 CG GLU A 61 -31.675 6.118 -19.548 1.00 0.00 C ATOM 1003 CD GLU A 61 -33.174 6.427 -19.524 1.00 0.00 C ATOM 1004 OE1 GLU A 61 -33.678 6.728 -18.454 1.00 0.00 O ATOM 1005 OE2 GLU A 61 -33.789 6.360 -20.574 1.00 0.00 O ATOM 0 H GLU A 61 -30.923 4.209 -16.264 1.00 0.00 H new ATOM 0 HA GLU A 61 -30.807 3.672 -19.039 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -32.102 5.418 -17.548 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.661 6.409 -17.661 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.114 7.010 -19.828 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -31.462 5.358 -20.300 1.00 0.00 H new ATOM 1012 N TYR A 62 -28.067 5.023 -17.948 1.00 0.00 N ATOM 1013 CA TYR A 62 -26.689 5.383 -18.388 1.00 0.00 C ATOM 1014 C TYR A 62 -25.915 4.128 -18.797 1.00 0.00 C ATOM 1015 O TYR A 62 -25.211 4.115 -19.786 1.00 0.00 O ATOM 1016 CB TYR A 62 -26.042 6.036 -17.166 1.00 0.00 C ATOM 1017 CG TYR A 62 -25.358 7.317 -17.583 1.00 0.00 C ATOM 1018 CD1 TYR A 62 -24.210 7.269 -18.384 1.00 0.00 C ATOM 1019 CD2 TYR A 62 -25.872 8.552 -17.168 1.00 0.00 C ATOM 1020 CE1 TYR A 62 -23.575 8.457 -18.772 1.00 0.00 C ATOM 1021 CE2 TYR A 62 -25.238 9.740 -17.554 1.00 0.00 C ATOM 1022 CZ TYR A 62 -24.089 9.693 -18.356 1.00 0.00 C ATOM 1023 OH TYR A 62 -23.465 10.863 -18.737 1.00 0.00 O ATOM 0 H TYR A 62 -28.216 5.028 -16.939 1.00 0.00 H new ATOM 0 HA TYR A 62 -26.694 6.047 -19.253 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -26.798 6.245 -16.409 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -25.319 5.355 -16.716 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -23.814 6.316 -18.703 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -26.757 8.588 -16.550 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -22.691 8.420 -19.391 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -25.634 10.692 -17.234 1.00 0.00 H new ATOM 0 HH TYR A 62 -23.950 11.629 -18.364 1.00 0.00 H new ATOM 1033 N TRP A 63 -26.038 3.071 -18.042 1.00 0.00 N ATOM 1034 CA TRP A 63 -25.307 1.818 -18.387 1.00 0.00 C ATOM 1035 C TRP A 63 -25.699 1.343 -19.789 1.00 0.00 C ATOM 1036 O TRP A 63 -24.991 0.582 -20.417 1.00 0.00 O ATOM 1037 CB TRP A 63 -25.745 0.800 -17.334 1.00 0.00 C ATOM 1038 CG TRP A 63 -25.066 -0.506 -17.590 1.00 0.00 C ATOM 1039 CD1 TRP A 63 -24.046 -1.008 -16.856 1.00 0.00 C ATOM 1040 CD2 TRP A 63 -25.338 -1.484 -18.636 1.00 0.00 C ATOM 1041 NE1 TRP A 63 -23.674 -2.232 -17.385 1.00 0.00 N ATOM 1042 CE2 TRP A 63 -24.441 -2.569 -18.483 1.00 0.00 C ATOM 1043 CE3 TRP A 63 -26.268 -1.535 -19.692 1.00 0.00 C ATOM 1044 CZ2 TRP A 63 -24.465 -3.663 -19.348 1.00 0.00 C ATOM 1045 CZ3 TRP A 63 -26.295 -2.636 -20.565 1.00 0.00 C ATOM 1046 CH2 TRP A 63 -25.395 -3.698 -20.393 1.00 0.00 C ATOM 0 H TRP A 63 -26.613 3.020 -17.201 1.00 0.00 H new ATOM 0 HA TRP A 63 -24.226 1.960 -18.392 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -25.495 1.162 -16.337 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -26.827 0.672 -17.365 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -23.596 -0.532 -15.998 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -22.925 -2.814 -17.010 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -26.965 -0.722 -19.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -23.770 -4.478 -19.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -27.012 -2.665 -21.372 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -25.420 -4.542 -21.066 1.00 0.00 H new ATOM 1057 N GLU A 64 -26.822 1.786 -20.284 1.00 0.00 N ATOM 1058 CA GLU A 64 -27.257 1.357 -21.645 1.00 0.00 C ATOM 1059 C GLU A 64 -26.496 2.141 -22.718 1.00 0.00 C ATOM 1060 O GLU A 64 -26.068 1.592 -23.715 1.00 0.00 O ATOM 1061 CB GLU A 64 -28.750 1.680 -21.705 1.00 0.00 C ATOM 1062 CG GLU A 64 -29.467 0.626 -22.551 1.00 0.00 C ATOM 1063 CD GLU A 64 -29.835 1.227 -23.910 1.00 0.00 C ATOM 1064 OE1 GLU A 64 -28.963 1.297 -24.760 1.00 0.00 O ATOM 1065 OE2 GLU A 64 -30.982 1.606 -24.076 1.00 0.00 O ATOM 0 H GLU A 64 -27.457 2.426 -19.806 1.00 0.00 H new ATOM 0 HA GLU A 64 -27.060 0.300 -21.825 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -29.169 1.701 -20.699 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -28.902 2.671 -22.134 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -28.825 -0.244 -22.688 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -30.365 0.282 -22.038 1.00 0.00 H new ATOM 1072 N THR A 65 -26.325 3.419 -22.524 1.00 0.00 N ATOM 1073 CA THR A 65 -25.592 4.235 -23.535 1.00 0.00 C ATOM 1074 C THR A 65 -24.149 3.742 -23.672 1.00 0.00 C ATOM 1075 O THR A 65 -23.723 3.332 -24.734 1.00 0.00 O ATOM 1076 CB THR A 65 -25.622 5.664 -22.989 1.00 0.00 C ATOM 1077 OG1 THR A 65 -26.963 6.030 -22.698 1.00 0.00 O ATOM 1078 CG2 THR A 65 -25.043 6.623 -24.030 1.00 0.00 C ATOM 0 H THR A 65 -26.660 3.934 -21.710 1.00 0.00 H new ATOM 0 HA THR A 65 -26.044 4.167 -24.525 1.00 0.00 H new ATOM 0 HB THR A 65 -25.025 5.718 -22.079 1.00 0.00 H new ATOM 0 HG1 THR A 65 -26.984 6.945 -22.347 1.00 0.00 H new ATOM 0 HG21 THR A 65 -25.065 7.640 -23.640 1.00 0.00 H new ATOM 0 HG22 THR A 65 -24.013 6.342 -24.251 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.637 6.572 -24.942 1.00 0.00 H new ATOM 1086 N PHE A 66 -23.393 3.781 -22.609 1.00 0.00 N ATOM 1087 CA PHE A 66 -21.978 3.315 -22.684 1.00 0.00 C ATOM 1088 C PHE A 66 -21.767 2.104 -21.770 1.00 0.00 C ATOM 1089 O PHE A 66 -20.989 1.219 -22.067 1.00 0.00 O ATOM 1090 CB PHE A 66 -21.144 4.502 -22.201 1.00 0.00 C ATOM 1091 CG PHE A 66 -19.847 4.552 -22.970 1.00 0.00 C ATOM 1092 CD1 PHE A 66 -18.875 3.561 -22.771 1.00 0.00 C ATOM 1093 CD2 PHE A 66 -19.612 5.589 -23.882 1.00 0.00 C ATOM 1094 CE1 PHE A 66 -17.670 3.608 -23.485 1.00 0.00 C ATOM 1095 CE2 PHE A 66 -18.407 5.636 -24.596 1.00 0.00 C ATOM 1096 CZ PHE A 66 -17.436 4.645 -24.397 1.00 0.00 C ATOM 0 H PHE A 66 -23.693 4.115 -21.693 1.00 0.00 H new ATOM 0 HA PHE A 66 -21.700 3.003 -23.691 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -21.698 5.430 -22.341 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -20.943 4.409 -21.134 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -19.055 2.762 -22.068 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -20.360 6.353 -24.035 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.922 2.844 -23.332 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -18.227 6.436 -25.299 1.00 0.00 H new ATOM 0 HZ PHE A 66 -16.507 4.681 -24.947 1.00 0.00 H new ATOM 1106 N GLY A 67 -22.452 2.058 -20.661 1.00 0.00 N ATOM 1107 CA GLY A 67 -22.287 0.906 -19.731 1.00 0.00 C ATOM 1108 C GLY A 67 -21.225 1.245 -18.685 1.00 0.00 C ATOM 1109 O GLY A 67 -20.131 0.717 -18.703 1.00 0.00 O ATOM 0 H GLY A 67 -23.119 2.768 -20.359 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -23.235 0.680 -19.243 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.994 0.015 -20.287 1.00 0.00 H new ATOM 1113 N THR A 68 -21.537 2.124 -17.772 1.00 0.00 N ATOM 1114 CA THR A 68 -20.541 2.498 -16.726 1.00 0.00 C ATOM 1115 C THR A 68 -21.228 3.260 -15.590 1.00 0.00 C ATOM 1116 O THR A 68 -22.433 3.412 -15.569 1.00 0.00 O ATOM 1117 CB THR A 68 -19.534 3.397 -17.444 1.00 0.00 C ATOM 1118 OG1 THR A 68 -18.514 3.783 -16.533 1.00 0.00 O ATOM 1119 CG2 THR A 68 -20.247 4.641 -17.974 1.00 0.00 C ATOM 0 H THR A 68 -22.437 2.599 -17.705 1.00 0.00 H new ATOM 0 HA THR A 68 -20.063 1.626 -16.279 1.00 0.00 H new ATOM 0 HB THR A 68 -19.089 2.854 -18.278 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.866 4.358 -16.992 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.529 5.282 -18.486 1.00 0.00 H new ATOM 0 HG22 THR A 68 -21.029 4.342 -18.672 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.692 5.187 -17.142 1.00 0.00 H new ATOM 1127 N CYS A 69 -20.468 3.740 -14.644 1.00 0.00 N ATOM 1128 CA CYS A 69 -21.075 4.494 -13.508 1.00 0.00 C ATOM 1129 C CYS A 69 -20.872 6.000 -13.704 1.00 0.00 C ATOM 1130 O CYS A 69 -19.782 6.507 -13.531 1.00 0.00 O ATOM 1131 CB CYS A 69 -20.325 4.010 -12.267 1.00 0.00 C ATOM 1132 SG CYS A 69 -21.016 2.428 -11.723 1.00 0.00 S ATOM 0 H CYS A 69 -19.453 3.643 -14.608 1.00 0.00 H new ATOM 0 HA CYS A 69 -22.149 4.326 -13.427 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -19.264 3.898 -12.491 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.406 4.748 -11.469 1.00 0.00 H new ATOM 1137 N PRO A 70 -21.938 6.663 -14.060 1.00 0.00 N ATOM 1138 CA PRO A 70 -21.884 8.129 -14.284 1.00 0.00 C ATOM 1139 C PRO A 70 -21.763 8.870 -12.950 1.00 0.00 C ATOM 1140 O PRO A 70 -22.319 8.452 -11.954 1.00 0.00 O ATOM 1141 CB PRO A 70 -23.219 8.436 -14.959 1.00 0.00 C ATOM 1142 CG PRO A 70 -24.135 7.335 -14.527 1.00 0.00 C ATOM 1143 CD PRO A 70 -23.280 6.117 -14.286 1.00 0.00 C ATOM 0 HA PRO A 70 -21.028 8.441 -14.882 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.601 9.410 -14.653 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.116 8.461 -16.044 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -24.672 7.614 -13.621 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.884 7.134 -15.293 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -23.630 5.548 -13.424 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.297 5.442 -15.142 1.00 0.00 H new ATOM 1151 N PRO A 71 -21.033 9.952 -12.981 1.00 0.00 N ATOM 1152 CA PRO A 71 -20.830 10.769 -11.759 1.00 0.00 C ATOM 1153 C PRO A 71 -22.107 11.541 -11.416 1.00 0.00 C ATOM 1154 O PRO A 71 -23.115 11.421 -12.083 1.00 0.00 O ATOM 1155 CB PRO A 71 -19.705 11.723 -12.151 1.00 0.00 C ATOM 1156 CG PRO A 71 -19.779 11.819 -13.643 1.00 0.00 C ATOM 1157 CD PRO A 71 -20.337 10.511 -14.144 1.00 0.00 C ATOM 0 HA PRO A 71 -20.590 10.174 -10.878 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.836 12.700 -11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.736 11.344 -11.828 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -20.416 12.650 -13.944 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.792 12.004 -14.067 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -21.018 10.663 -14.982 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -19.546 9.847 -14.492 1.00 0.00 H new ATOM 1165 N ILE A 72 -22.072 12.334 -10.381 1.00 0.00 N ATOM 1166 CA ILE A 72 -23.283 13.113 -9.998 1.00 0.00 C ATOM 1167 C ILE A 72 -23.249 14.497 -10.650 1.00 0.00 C ATOM 1168 O ILE A 72 -23.208 15.510 -9.979 1.00 0.00 O ATOM 1169 CB ILE A 72 -23.210 13.236 -8.475 1.00 0.00 C ATOM 1170 CG1 ILE A 72 -22.930 11.860 -7.867 1.00 0.00 C ATOM 1171 CG2 ILE A 72 -24.540 13.768 -7.941 1.00 0.00 C ATOM 1172 CD1 ILE A 72 -24.058 10.897 -8.240 1.00 0.00 C ATOM 0 H ILE A 72 -21.257 12.476 -9.784 1.00 0.00 H new ATOM 0 HA ILE A 72 -24.204 12.631 -10.324 1.00 0.00 H new ATOM 0 HB ILE A 72 -22.409 13.924 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -21.976 11.478 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -22.849 11.940 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -24.488 13.855 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -24.740 14.748 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -25.342 13.081 -8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -23.858 9.917 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -25.004 11.278 -7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -24.117 10.809 -9.325 1.00 0.00 H new ATOM 1184 N LYS A 73 -23.265 14.549 -11.954 1.00 0.00 N ATOM 1185 CA LYS A 73 -23.232 15.868 -12.648 1.00 0.00 C ATOM 1186 C LYS A 73 -24.331 15.934 -13.712 1.00 0.00 C ATOM 1187 O LYS A 73 -25.100 16.872 -13.768 1.00 0.00 O ATOM 1188 CB LYS A 73 -21.849 15.941 -13.297 1.00 0.00 C ATOM 1189 CG LYS A 73 -20.771 15.846 -12.217 1.00 0.00 C ATOM 1190 CD LYS A 73 -19.558 16.681 -12.630 1.00 0.00 C ATOM 1191 CE LYS A 73 -18.399 15.752 -12.999 1.00 0.00 C ATOM 1192 NZ LYS A 73 -18.001 15.105 -11.717 1.00 0.00 N ATOM 0 H LYS A 73 -23.299 13.736 -12.569 1.00 0.00 H new ATOM 0 HA LYS A 73 -23.404 16.699 -11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -21.730 15.131 -14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -21.744 16.875 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.163 16.202 -11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -20.477 14.806 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.813 17.316 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.263 17.341 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.707 15.011 -13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.569 16.309 -13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.980 15.232 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.524 15.541 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.221 14.089 -11.758 1.00 0.00 H new ATOM 1206 N MET A 74 -24.409 14.943 -14.558 1.00 0.00 N ATOM 1207 CA MET A 74 -25.459 14.950 -15.618 1.00 0.00 C ATOM 1208 C MET A 74 -26.848 14.809 -14.990 1.00 0.00 C ATOM 1209 O MET A 74 -27.804 15.417 -15.431 1.00 0.00 O ATOM 1210 CB MET A 74 -25.142 13.739 -16.496 1.00 0.00 C ATOM 1211 CG MET A 74 -26.194 13.617 -17.599 1.00 0.00 C ATOM 1212 SD MET A 74 -27.625 12.704 -16.971 1.00 0.00 S ATOM 1213 CE MET A 74 -28.890 13.581 -17.924 1.00 0.00 C ATOM 0 H MET A 74 -23.793 14.130 -14.562 1.00 0.00 H new ATOM 0 HA MET A 74 -25.463 15.879 -16.189 1.00 0.00 H new ATOM 0 HB2 MET A 74 -24.150 13.845 -16.935 1.00 0.00 H new ATOM 0 HB3 MET A 74 -25.127 12.832 -15.891 1.00 0.00 H new ATOM 0 HG2 MET A 74 -26.500 14.608 -17.935 1.00 0.00 H new ATOM 0 HG3 MET A 74 -25.772 13.103 -18.463 1.00 0.00 H new ATOM 0 HE1 MET A 74 -29.872 13.172 -17.688 1.00 0.00 H new ATOM 0 HE2 MET A 74 -28.868 14.641 -17.670 1.00 0.00 H new ATOM 0 HE3 MET A 74 -28.693 13.459 -18.989 1.00 0.00 H new ATOM 1223 N VAL A 75 -26.968 14.013 -13.963 1.00 0.00 N ATOM 1224 CA VAL A 75 -28.296 13.836 -13.308 1.00 0.00 C ATOM 1225 C VAL A 75 -28.747 15.148 -12.660 1.00 0.00 C ATOM 1226 O VAL A 75 -29.815 15.654 -12.942 1.00 0.00 O ATOM 1227 CB VAL A 75 -28.073 12.760 -12.246 1.00 0.00 C ATOM 1228 CG1 VAL A 75 -29.311 12.655 -11.354 1.00 0.00 C ATOM 1229 CG2 VAL A 75 -27.822 11.414 -12.930 1.00 0.00 C ATOM 0 H VAL A 75 -26.205 13.478 -13.549 1.00 0.00 H new ATOM 0 HA VAL A 75 -29.072 13.552 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 75 -27.209 13.026 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -29.150 11.887 -10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -29.490 13.613 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -30.176 12.390 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -27.663 10.646 -12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -28.686 11.149 -13.540 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -26.939 11.487 -13.564 1.00 0.00 H new ATOM 1239 N THR A 76 -27.944 15.701 -11.795 1.00 0.00 N ATOM 1240 CA THR A 76 -28.328 16.979 -11.131 1.00 0.00 C ATOM 1241 C THR A 76 -28.708 18.027 -12.182 1.00 0.00 C ATOM 1242 O THR A 76 -29.480 18.928 -11.923 1.00 0.00 O ATOM 1243 CB THR A 76 -27.081 17.418 -10.363 1.00 0.00 C ATOM 1244 OG1 THR A 76 -26.770 16.445 -9.375 1.00 0.00 O ATOM 1245 CG2 THR A 76 -27.340 18.767 -9.690 1.00 0.00 C ATOM 0 H THR A 76 -27.038 15.324 -11.518 1.00 0.00 H new ATOM 0 HA THR A 76 -29.190 16.860 -10.474 1.00 0.00 H new ATOM 0 HB THR A 76 -26.244 17.516 -11.054 1.00 0.00 H new ATOM 0 HG1 THR A 76 -27.209 16.683 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 76 -26.450 19.078 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 76 -27.578 19.512 -10.449 1.00 0.00 H new ATOM 0 HG23 THR A 76 -28.177 18.674 -8.998 1.00 0.00 H new ATOM 1253 N LYS A 77 -28.170 17.914 -13.366 1.00 0.00 N ATOM 1254 CA LYS A 77 -28.500 18.902 -14.433 1.00 0.00 C ATOM 1255 C LYS A 77 -30.014 19.110 -14.517 1.00 0.00 C ATOM 1256 O LYS A 77 -30.490 20.216 -14.673 1.00 0.00 O ATOM 1257 CB LYS A 77 -27.971 18.279 -15.725 1.00 0.00 C ATOM 1258 CG LYS A 77 -27.950 19.335 -16.831 1.00 0.00 C ATOM 1259 CD LYS A 77 -26.517 19.523 -17.332 1.00 0.00 C ATOM 1260 CE LYS A 77 -26.530 20.338 -18.628 1.00 0.00 C ATOM 1261 NZ LYS A 77 -25.991 21.674 -18.246 1.00 0.00 N ATOM 0 H LYS A 77 -27.516 17.181 -13.641 1.00 0.00 H new ATOM 0 HA LYS A 77 -28.058 19.880 -14.240 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -26.968 17.884 -15.566 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -28.601 17.440 -16.021 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -28.596 19.028 -17.653 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -28.341 20.280 -16.453 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -25.920 20.033 -16.576 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -26.051 18.553 -17.505 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.915 19.869 -19.396 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -27.539 20.420 -19.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.968 22.291 -19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -26.600 22.099 -17.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.027 21.565 -17.870 1.00 0.00 H new ATOM 1275 N GLU A 78 -30.775 18.054 -14.417 1.00 0.00 N ATOM 1276 CA GLU A 78 -32.258 18.195 -14.494 1.00 0.00 C ATOM 1277 C GLU A 78 -32.931 17.329 -13.427 1.00 0.00 C ATOM 1278 O GLU A 78 -34.016 16.817 -13.624 1.00 0.00 O ATOM 1279 CB GLU A 78 -32.628 17.703 -15.893 1.00 0.00 C ATOM 1280 CG GLU A 78 -32.631 18.884 -16.865 1.00 0.00 C ATOM 1281 CD GLU A 78 -33.746 18.694 -17.896 1.00 0.00 C ATOM 1282 OE1 GLU A 78 -34.891 18.933 -17.551 1.00 0.00 O ATOM 1283 OE2 GLU A 78 -33.434 18.312 -19.011 1.00 0.00 O ATOM 0 H GLU A 78 -30.435 17.101 -14.286 1.00 0.00 H new ATOM 0 HA GLU A 78 -32.584 19.221 -14.320 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -31.916 16.947 -16.224 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -33.610 17.230 -15.876 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -32.780 19.816 -16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -31.666 18.958 -17.367 1.00 0.00 H new ATOM 1290 N THR A 79 -32.300 17.161 -12.297 1.00 0.00 N ATOM 1291 CA THR A 79 -32.911 16.327 -11.223 1.00 0.00 C ATOM 1292 C THR A 79 -33.035 17.136 -9.928 1.00 0.00 C ATOM 1293 O THR A 79 -33.837 16.829 -9.069 1.00 0.00 O ATOM 1294 CB THR A 79 -31.947 15.155 -11.034 1.00 0.00 C ATOM 1295 OG1 THR A 79 -31.739 14.510 -12.283 1.00 0.00 O ATOM 1296 CG2 THR A 79 -32.540 14.160 -10.036 1.00 0.00 C ATOM 0 H THR A 79 -31.390 17.564 -12.071 1.00 0.00 H new ATOM 0 HA THR A 79 -33.915 15.991 -11.483 1.00 0.00 H new ATOM 0 HB THR A 79 -30.995 15.524 -10.652 1.00 0.00 H new ATOM 0 HG1 THR A 79 -31.103 15.030 -12.818 1.00 0.00 H new ATOM 0 HG21 THR A 79 -31.852 13.325 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 79 -32.699 14.656 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 79 -33.492 13.788 -10.415 1.00 0.00 H new ATOM 1304 N GLY A 80 -32.248 18.167 -9.783 1.00 0.00 N ATOM 1305 CA GLY A 80 -32.326 18.993 -8.543 1.00 0.00 C ATOM 1306 C GLY A 80 -31.740 18.208 -7.369 1.00 0.00 C ATOM 1307 O GLY A 80 -32.008 18.498 -6.220 1.00 0.00 O ATOM 0 H GLY A 80 -31.556 18.473 -10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -31.779 19.926 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -33.362 19.259 -8.335 1.00 0.00 H new ATOM 1311 N PHE A 81 -30.941 17.214 -7.648 1.00 0.00 N ATOM 1312 CA PHE A 81 -30.338 16.410 -6.546 1.00 0.00 C ATOM 1313 C PHE A 81 -28.930 16.921 -6.231 1.00 0.00 C ATOM 1314 O PHE A 81 -28.397 17.765 -6.923 1.00 0.00 O ATOM 1315 CB PHE A 81 -30.284 14.980 -7.083 1.00 0.00 C ATOM 1316 CG PHE A 81 -31.612 14.302 -6.850 1.00 0.00 C ATOM 1317 CD1 PHE A 81 -32.806 14.997 -7.089 1.00 0.00 C ATOM 1318 CD2 PHE A 81 -31.652 12.978 -6.392 1.00 0.00 C ATOM 1319 CE1 PHE A 81 -34.039 14.367 -6.870 1.00 0.00 C ATOM 1320 CE2 PHE A 81 -32.886 12.349 -6.173 1.00 0.00 C ATOM 1321 CZ PHE A 81 -34.079 13.043 -6.413 1.00 0.00 C ATOM 0 H PHE A 81 -30.680 16.924 -8.590 1.00 0.00 H new ATOM 0 HA PHE A 81 -30.913 16.475 -5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -30.051 14.989 -8.148 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -29.488 14.424 -6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -32.776 16.017 -7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -30.733 12.442 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -34.959 14.902 -7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -32.917 11.329 -5.819 1.00 0.00 H new ATOM 0 HZ PHE A 81 -35.029 12.558 -6.246 1.00 0.00 H new ATOM 1331 N SER A 82 -28.323 16.417 -5.191 1.00 0.00 N ATOM 1332 CA SER A 82 -26.950 16.877 -4.836 1.00 0.00 C ATOM 1333 C SER A 82 -26.129 15.714 -4.273 1.00 0.00 C ATOM 1334 O SER A 82 -26.656 14.813 -3.652 1.00 0.00 O ATOM 1335 CB SER A 82 -27.156 17.952 -3.770 1.00 0.00 C ATOM 1336 OG SER A 82 -26.326 19.069 -4.060 1.00 0.00 O ATOM 0 H SER A 82 -28.717 15.708 -4.573 1.00 0.00 H new ATOM 0 HA SER A 82 -26.407 17.258 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 82 -28.202 18.259 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 82 -26.917 17.553 -2.784 1.00 0.00 H new ATOM 0 HG SER A 82 -26.458 19.760 -3.378 1.00 0.00 H new ATOM 1342 N LEU A 83 -24.841 15.727 -4.486 1.00 0.00 N ATOM 1343 CA LEU A 83 -23.989 14.622 -3.962 1.00 0.00 C ATOM 1344 C LEU A 83 -24.125 14.525 -2.441 1.00 0.00 C ATOM 1345 O LEU A 83 -23.957 13.473 -1.857 1.00 0.00 O ATOM 1346 CB LEU A 83 -22.560 15.005 -4.350 1.00 0.00 C ATOM 1347 CG LEU A 83 -21.567 14.161 -3.551 1.00 0.00 C ATOM 1348 CD1 LEU A 83 -21.677 12.697 -3.983 1.00 0.00 C ATOM 1349 CD2 LEU A 83 -20.146 14.664 -3.810 1.00 0.00 C ATOM 0 H LEU A 83 -24.343 16.454 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 83 -24.275 13.652 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -22.408 14.849 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -22.391 16.064 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 83 -21.794 14.244 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -20.969 12.095 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -22.689 12.338 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -21.451 12.613 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -19.438 14.062 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -19.919 14.582 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -20.067 15.706 -3.501 1.00 0.00 H new ATOM 1361 N GLU A 84 -24.429 15.617 -1.792 1.00 0.00 N ATOM 1362 CA GLU A 84 -24.577 15.586 -0.309 1.00 0.00 C ATOM 1363 C GLU A 84 -25.730 14.659 0.087 1.00 0.00 C ATOM 1364 O GLU A 84 -25.572 13.772 0.902 1.00 0.00 O ATOM 1365 CB GLU A 84 -24.888 17.029 0.089 1.00 0.00 C ATOM 1366 CG GLU A 84 -23.619 17.876 -0.025 1.00 0.00 C ATOM 1367 CD GLU A 84 -23.098 18.205 1.375 1.00 0.00 C ATOM 1368 OE1 GLU A 84 -23.768 18.946 2.076 1.00 0.00 O ATOM 1369 OE2 GLU A 84 -22.038 17.711 1.723 1.00 0.00 O ATOM 0 H GLU A 84 -24.581 16.528 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 84 -23.682 15.211 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -25.668 17.435 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -25.269 17.062 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.859 17.337 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -23.830 18.795 -0.571 1.00 0.00 H new ATOM 1376 N LYS A 85 -26.886 14.857 -0.485 1.00 0.00 N ATOM 1377 CA LYS A 85 -28.045 13.985 -0.141 1.00 0.00 C ATOM 1378 C LYS A 85 -27.703 12.520 -0.425 1.00 0.00 C ATOM 1379 O LYS A 85 -28.152 11.623 0.260 1.00 0.00 O ATOM 1380 CB LYS A 85 -29.181 14.457 -1.049 1.00 0.00 C ATOM 1381 CG LYS A 85 -30.049 15.468 -0.298 1.00 0.00 C ATOM 1382 CD LYS A 85 -30.628 16.480 -1.289 1.00 0.00 C ATOM 1383 CE LYS A 85 -29.995 17.851 -1.048 1.00 0.00 C ATOM 1384 NZ LYS A 85 -30.992 18.597 -0.230 1.00 0.00 N ATOM 0 H LYS A 85 -27.078 15.584 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 85 -28.314 14.051 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -28.774 14.912 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -29.785 13.607 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -30.855 14.953 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -29.455 15.982 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -30.436 16.154 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -31.710 16.542 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -29.043 17.760 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -29.793 18.364 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -30.629 19.549 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -31.885 18.674 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -31.159 18.089 0.662 1.00 0.00 H new ATOM 1398 N ILE A 86 -26.910 12.273 -1.431 1.00 0.00 N ATOM 1399 CA ILE A 86 -26.537 10.867 -1.758 1.00 0.00 C ATOM 1400 C ILE A 86 -25.539 10.335 -0.727 1.00 0.00 C ATOM 1401 O ILE A 86 -25.486 9.152 -0.452 1.00 0.00 O ATOM 1402 CB ILE A 86 -25.892 10.941 -3.142 1.00 0.00 C ATOM 1403 CG1 ILE A 86 -26.980 11.137 -4.200 1.00 0.00 C ATOM 1404 CG2 ILE A 86 -25.137 9.641 -3.425 1.00 0.00 C ATOM 1405 CD1 ILE A 86 -26.337 11.555 -5.524 1.00 0.00 C ATOM 0 H ILE A 86 -26.504 12.983 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 86 -27.396 10.196 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 86 -25.196 11.779 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -27.543 10.213 -4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -27.688 11.898 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -24.677 9.695 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -24.363 9.499 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -25.832 8.802 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -27.113 11.694 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -25.794 12.490 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -25.646 10.779 -5.854 1.00 0.00 H new ATOM 1417 N TYR A 87 -24.749 11.200 -0.151 1.00 0.00 N ATOM 1418 CA TYR A 87 -23.757 10.745 0.865 1.00 0.00 C ATOM 1419 C TYR A 87 -24.470 10.381 2.170 1.00 0.00 C ATOM 1420 O TYR A 87 -24.086 9.460 2.863 1.00 0.00 O ATOM 1421 CB TYR A 87 -22.829 11.941 1.075 1.00 0.00 C ATOM 1422 CG TYR A 87 -21.393 11.473 1.066 1.00 0.00 C ATOM 1423 CD1 TYR A 87 -20.769 11.152 -0.147 1.00 0.00 C ATOM 1424 CD2 TYR A 87 -20.684 11.361 2.270 1.00 0.00 C ATOM 1425 CE1 TYR A 87 -19.436 10.718 -0.157 1.00 0.00 C ATOM 1426 CE2 TYR A 87 -19.352 10.927 2.260 1.00 0.00 C ATOM 1427 CZ TYR A 87 -18.728 10.606 1.046 1.00 0.00 C ATOM 1428 OH TYR A 87 -17.416 10.178 1.038 1.00 0.00 O ATOM 0 H TYR A 87 -24.748 12.202 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 87 -23.211 9.858 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -22.987 12.679 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -23.057 12.430 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -21.315 11.239 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -21.164 11.609 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -18.955 10.470 -1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -18.806 10.840 3.188 1.00 0.00 H new ATOM 0 HH TYR A 87 -17.073 10.158 1.956 1.00 0.00 H new ATOM 1438 N GLN A 88 -25.505 11.098 2.511 1.00 0.00 N ATOM 1439 CA GLN A 88 -26.242 10.794 3.771 1.00 0.00 C ATOM 1440 C GLN A 88 -27.124 9.556 3.581 1.00 0.00 C ATOM 1441 O GLN A 88 -27.222 8.713 4.451 1.00 0.00 O ATOM 1442 CB GLN A 88 -27.103 12.030 4.033 1.00 0.00 C ATOM 1443 CG GLN A 88 -27.993 11.783 5.253 1.00 0.00 C ATOM 1444 CD GLN A 88 -27.504 12.640 6.423 1.00 0.00 C ATOM 1445 OE1 GLN A 88 -28.173 13.570 6.830 1.00 0.00 O ATOM 1446 NE2 GLN A 88 -26.359 12.365 6.984 1.00 0.00 N ATOM 0 H GLN A 88 -25.873 11.882 1.972 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.570 10.581 4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -26.468 12.899 4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -27.717 12.250 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -29.028 12.028 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -27.969 10.728 5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.798 11.585 6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.025 12.930 7.764 1.00 0.00 H new ATOM 1455 N LEU A 89 -27.765 9.441 2.451 1.00 0.00 N ATOM 1456 CA LEU A 89 -28.640 8.258 2.207 1.00 0.00 C ATOM 1457 C LEU A 89 -27.791 6.992 2.062 1.00 0.00 C ATOM 1458 O LEU A 89 -28.150 5.934 2.540 1.00 0.00 O ATOM 1459 CB LEU A 89 -29.367 8.567 0.898 1.00 0.00 C ATOM 1460 CG LEU A 89 -30.800 9.008 1.202 1.00 0.00 C ATOM 1461 CD1 LEU A 89 -31.322 9.872 0.053 1.00 0.00 C ATOM 1462 CD2 LEU A 89 -31.690 7.773 1.356 1.00 0.00 C ATOM 0 H LEU A 89 -27.721 10.114 1.686 1.00 0.00 H new ATOM 0 HA LEU A 89 -29.335 8.082 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -28.841 9.352 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -29.375 7.685 0.257 1.00 0.00 H new ATOM 0 HG LEU A 89 -30.815 9.585 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -32.343 10.187 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -30.687 10.751 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -31.308 9.295 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -32.712 8.085 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -31.675 7.196 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -31.318 7.156 2.174 1.00 0.00 H new ATOM 1474 N PHE A 90 -26.668 7.091 1.405 1.00 0.00 N ATOM 1475 CA PHE A 90 -25.798 5.892 1.228 1.00 0.00 C ATOM 1476 C PHE A 90 -24.418 6.148 1.844 1.00 0.00 C ATOM 1477 O PHE A 90 -23.691 7.013 1.400 1.00 0.00 O ATOM 1478 CB PHE A 90 -25.683 5.708 -0.285 1.00 0.00 C ATOM 1479 CG PHE A 90 -26.025 4.282 -0.645 1.00 0.00 C ATOM 1480 CD1 PHE A 90 -25.080 3.266 -0.453 1.00 0.00 C ATOM 1481 CD2 PHE A 90 -27.286 3.976 -1.173 1.00 0.00 C ATOM 1482 CE1 PHE A 90 -25.397 1.942 -0.787 1.00 0.00 C ATOM 1483 CE2 PHE A 90 -27.604 2.652 -1.507 1.00 0.00 C ATOM 1484 CZ PHE A 90 -26.659 1.636 -1.315 1.00 0.00 C ATOM 0 H PHE A 90 -26.315 7.950 0.983 1.00 0.00 H new ATOM 0 HA PHE A 90 -26.206 5.007 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -26.356 6.395 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -24.672 5.945 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -24.107 3.503 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -28.013 4.760 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -24.669 1.158 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -28.577 2.416 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 90 -26.903 0.616 -1.574 1.00 0.00 H new ATOM 1494 N PRO A 91 -24.104 5.380 2.853 1.00 0.00 N ATOM 1495 CA PRO A 91 -22.796 5.523 3.540 1.00 0.00 C ATOM 1496 C PRO A 91 -21.668 4.960 2.672 1.00 0.00 C ATOM 1497 O PRO A 91 -20.502 5.101 2.984 1.00 0.00 O ATOM 1498 CB PRO A 91 -22.968 4.696 4.811 1.00 0.00 C ATOM 1499 CG PRO A 91 -24.030 3.694 4.484 1.00 0.00 C ATOM 1500 CD PRO A 91 -24.925 4.317 3.443 1.00 0.00 C ATOM 0 HA PRO A 91 -22.531 6.561 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -22.036 4.205 5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -23.263 5.323 5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -23.586 2.772 4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -24.600 3.433 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -25.231 3.588 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -25.835 4.718 3.889 1.00 0.00 H new ATOM 1508 N SER A 92 -22.004 4.320 1.585 1.00 0.00 N ATOM 1509 CA SER A 92 -20.948 3.747 0.700 1.00 0.00 C ATOM 1510 C SER A 92 -20.772 4.615 -0.549 1.00 0.00 C ATOM 1511 O SER A 92 -20.271 4.167 -1.562 1.00 0.00 O ATOM 1512 CB SER A 92 -21.460 2.359 0.321 1.00 0.00 C ATOM 1513 OG SER A 92 -20.976 2.019 -0.972 1.00 0.00 O ATOM 0 H SER A 92 -22.963 4.169 1.271 1.00 0.00 H new ATOM 0 HA SER A 92 -19.977 3.703 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 92 -21.126 1.623 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 92 -22.550 2.345 0.330 1.00 0.00 H new ATOM 0 HG SER A 92 -20.142 2.503 -1.147 1.00 0.00 H new ATOM 1519 N GLY A 93 -21.179 5.853 -0.486 1.00 0.00 N ATOM 1520 CA GLY A 93 -21.034 6.745 -1.671 1.00 0.00 C ATOM 1521 C GLY A 93 -21.794 6.147 -2.856 1.00 0.00 C ATOM 1522 O GLY A 93 -22.100 4.971 -2.869 1.00 0.00 O ATOM 0 H GLY A 93 -21.605 6.285 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.420 7.738 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -19.980 6.863 -1.924 1.00 0.00 H new ATOM 1526 N PRO A 94 -22.074 6.984 -3.817 1.00 0.00 N ATOM 1527 CA PRO A 94 -22.809 6.542 -5.027 1.00 0.00 C ATOM 1528 C PRO A 94 -21.905 5.690 -5.924 1.00 0.00 C ATOM 1529 O PRO A 94 -22.370 4.987 -6.800 1.00 0.00 O ATOM 1530 CB PRO A 94 -23.183 7.850 -5.717 1.00 0.00 C ATOM 1531 CG PRO A 94 -22.166 8.842 -5.245 1.00 0.00 C ATOM 1532 CD PRO A 94 -21.735 8.411 -3.866 1.00 0.00 C ATOM 0 HA PRO A 94 -23.677 5.923 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -23.158 7.745 -6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -24.193 8.162 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.313 8.872 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -22.589 9.846 -5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.668 8.573 -3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -22.257 8.972 -3.091 1.00 0.00 H new ATOM 1540 N ALA A 95 -20.619 5.749 -5.716 1.00 0.00 N ATOM 1541 CA ALA A 95 -19.688 4.945 -6.561 1.00 0.00 C ATOM 1542 C ALA A 95 -20.212 3.512 -6.713 1.00 0.00 C ATOM 1543 O ALA A 95 -21.034 3.232 -7.563 1.00 0.00 O ATOM 1544 CB ALA A 95 -18.358 4.961 -5.809 1.00 0.00 C ATOM 0 H ALA A 95 -20.171 6.319 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 95 -19.588 5.350 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.617 4.389 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -18.015 5.990 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -18.492 4.516 -4.823 1.00 0.00 H new ATOM 1550 N HIS A 96 -19.744 2.601 -5.902 1.00 0.00 N ATOM 1551 CA HIS A 96 -20.220 1.191 -6.011 1.00 0.00 C ATOM 1552 C HIS A 96 -21.610 1.052 -5.384 1.00 0.00 C ATOM 1553 O HIS A 96 -22.209 -0.005 -5.410 1.00 0.00 O ATOM 1554 CB HIS A 96 -19.195 0.366 -5.232 1.00 0.00 C ATOM 1555 CG HIS A 96 -18.028 0.045 -6.125 1.00 0.00 C ATOM 1556 ND1 HIS A 96 -18.051 -1.014 -7.019 1.00 0.00 N ATOM 1557 CD2 HIS A 96 -16.798 0.636 -6.275 1.00 0.00 C ATOM 1558 CE1 HIS A 96 -16.867 -1.030 -7.659 1.00 0.00 C ATOM 1559 NE2 HIS A 96 -16.067 -0.045 -7.244 1.00 0.00 N ATOM 0 H HIS A 96 -19.054 2.771 -5.170 1.00 0.00 H new ATOM 0 HA HIS A 96 -20.305 0.862 -7.047 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -18.856 0.920 -4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -19.653 -0.554 -4.869 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -16.451 1.498 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -16.597 -1.752 -8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -15.123 0.164 -7.568 1.00 0.00 H new ATOM 1567 N GLY A 97 -22.127 2.109 -4.821 1.00 0.00 N ATOM 1568 CA GLY A 97 -23.477 2.034 -4.193 1.00 0.00 C ATOM 1569 C GLY A 97 -24.549 1.997 -5.283 1.00 0.00 C ATOM 1570 O GLY A 97 -24.917 0.947 -5.770 1.00 0.00 O ATOM 0 H GLY A 97 -21.674 3.021 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -23.549 1.144 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -23.635 2.894 -3.543 1.00 0.00 H new ATOM 1574 N ALA A 98 -25.056 3.137 -5.668 1.00 0.00 N ATOM 1575 CA ALA A 98 -26.107 3.167 -6.726 1.00 0.00 C ATOM 1576 C ALA A 98 -25.745 2.210 -7.865 1.00 0.00 C ATOM 1577 O ALA A 98 -26.603 1.604 -8.475 1.00 0.00 O ATOM 1578 CB ALA A 98 -26.123 4.612 -7.225 1.00 0.00 C ATOM 0 H ALA A 98 -24.788 4.048 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 98 -27.080 2.853 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -26.873 4.718 -8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -26.365 5.280 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -25.142 4.870 -7.625 1.00 0.00 H new ATOM 1584 N CYS A 99 -24.481 2.071 -8.159 1.00 0.00 N ATOM 1585 CA CYS A 99 -24.069 1.155 -9.262 1.00 0.00 C ATOM 1586 C CYS A 99 -24.432 -0.293 -8.919 1.00 0.00 C ATOM 1587 O CYS A 99 -25.216 -0.925 -9.599 1.00 0.00 O ATOM 1588 CB CYS A 99 -22.553 1.317 -9.365 1.00 0.00 C ATOM 1589 SG CYS A 99 -22.167 2.910 -10.133 1.00 0.00 S ATOM 0 H CYS A 99 -23.716 2.551 -7.684 1.00 0.00 H new ATOM 0 HA CYS A 99 -24.571 1.391 -10.200 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -22.102 1.260 -8.374 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -22.129 0.504 -9.955 1.00 0.00 H new ATOM 1594 N LYS A 100 -23.864 -0.823 -7.870 1.00 0.00 N ATOM 1595 CA LYS A 100 -24.175 -2.232 -7.486 1.00 0.00 C ATOM 1596 C LYS A 100 -25.690 -2.443 -7.415 1.00 0.00 C ATOM 1597 O LYS A 100 -26.200 -3.479 -7.792 1.00 0.00 O ATOM 1598 CB LYS A 100 -23.543 -2.414 -6.106 1.00 0.00 C ATOM 1599 CG LYS A 100 -23.692 -3.871 -5.666 1.00 0.00 C ATOM 1600 CD LYS A 100 -24.263 -3.921 -4.247 1.00 0.00 C ATOM 1601 CE LYS A 100 -23.117 -3.932 -3.234 1.00 0.00 C ATOM 1602 NZ LYS A 100 -22.857 -5.373 -2.963 1.00 0.00 N ATOM 0 H LYS A 100 -23.199 -0.344 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 100 -23.790 -2.950 -8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -22.489 -2.138 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -24.024 -1.754 -5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -24.350 -4.404 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -22.725 -4.372 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -24.908 -3.060 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -24.880 -4.811 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -22.231 -3.440 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -23.391 -3.402 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -22.082 -5.463 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -23.716 -5.814 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -22.592 -5.850 -3.848 1.00 0.00 H new ATOM 1616 N VAL A 101 -26.413 -1.470 -6.934 1.00 0.00 N ATOM 1617 CA VAL A 101 -27.895 -1.618 -6.838 1.00 0.00 C ATOM 1618 C VAL A 101 -28.493 -1.881 -8.222 1.00 0.00 C ATOM 1619 O VAL A 101 -29.133 -2.889 -8.450 1.00 0.00 O ATOM 1620 CB VAL A 101 -28.390 -0.282 -6.285 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -29.914 -0.215 -6.400 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -27.985 -0.158 -4.814 1.00 0.00 C ATOM 0 H VAL A 101 -26.043 -0.579 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 101 -28.186 -2.456 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 101 -27.946 0.534 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -30.267 0.738 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -30.204 -0.304 -7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -30.358 -1.031 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -28.338 0.795 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -28.429 -0.974 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -26.899 -0.206 -4.730 1.00 0.00 H new ATOM 1632 N ALA A 102 -28.293 -0.984 -9.148 1.00 0.00 N ATOM 1633 CA ALA A 102 -28.853 -1.185 -10.515 1.00 0.00 C ATOM 1634 C ALA A 102 -28.088 -2.292 -11.245 1.00 0.00 C ATOM 1635 O ALA A 102 -28.459 -2.707 -12.325 1.00 0.00 O ATOM 1636 CB ALA A 102 -28.662 0.157 -11.224 1.00 0.00 C ATOM 0 H ALA A 102 -27.766 -0.120 -9.018 1.00 0.00 H new ATOM 0 HA ALA A 102 -29.900 -1.487 -10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -29.051 0.090 -12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -29.198 0.935 -10.681 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -27.601 0.403 -11.257 1.00 0.00 H new ATOM 1642 N GLY A 103 -27.024 -2.773 -10.664 1.00 0.00 N ATOM 1643 CA GLY A 103 -26.238 -3.852 -11.326 1.00 0.00 C ATOM 1644 C GLY A 103 -25.280 -3.237 -12.347 1.00 0.00 C ATOM 1645 O GLY A 103 -25.540 -3.236 -13.534 1.00 0.00 O ATOM 0 H GLY A 103 -26.665 -2.466 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.678 -4.417 -10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -26.910 -4.554 -11.820 1.00 0.00 H new ATOM 1649 N ALA A 104 -24.174 -2.712 -11.896 1.00 0.00 N ATOM 1650 CA ALA A 104 -23.201 -2.096 -12.843 1.00 0.00 C ATOM 1651 C ALA A 104 -21.771 -2.482 -12.457 1.00 0.00 C ATOM 1652 O ALA A 104 -21.131 -1.803 -11.679 1.00 0.00 O ATOM 1653 CB ALA A 104 -23.407 -0.588 -12.698 1.00 0.00 C ATOM 0 H ALA A 104 -23.902 -2.683 -10.913 1.00 0.00 H new ATOM 0 HA ALA A 104 -23.354 -2.431 -13.869 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -22.725 -0.062 -13.365 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -24.435 -0.335 -12.957 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -23.208 -0.291 -11.668 1.00 0.00 H new