USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 855 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 73 TYR OH : rot 180:sc= -0.731 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 151:sc= 0.336 (180deg=0.0756) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 53 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 83 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.99) USER MOD Set 4.1: A 30 GLN : amide:sc= 0.062 X(o=0.12,f=0.024) USER MOD Set 4.2: A 33 THR OG1 : rot 103:sc= 0.0606 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -45:sc= 0.188 USER MOD Single : A 20 ASN : amide:sc= -0.98 K(o=-0.98,f=-1.6) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0082 X(o=-0.0082,f=-0.34) USER MOD Single : A 52 SER OG : rot -69:sc= 0.804 USER MOD Single : A 58 TYR OH : rot 112:sc= -0.856 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 65 SER OG : rot 109:sc= 0.316 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -138:sc= -0.131 (180deg=-1.34!) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.0392 (180deg=-0.29) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -157:sc= 0.504 USER MOD Single : A 77 TYR OH : rot -127:sc= 0.737 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00785 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.48 K(o=-2.5,f=-1.7) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -174:sc= -1.43 (180deg=-1.78) USER MOD Single : A 95 TYR OH : rot -31:sc= -1.53 USER MOD Single : A 96 HIS : no HD1:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 100 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.8!) USER MOD Single : A 103 TYR OH : rot 180:sc=-0.00599 USER MOD Single : A 104 ASN : amide:sc= -0.582 K(o=-0.58,f=-1.5) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 70:sc= -1.16 USER MOD Single : A 117 THR OG1 : rot -98:sc= 1.2 USER MOD Single : A 118 THR OG1 : rot -172:sc= -0.129 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 8.774 -24.599 -7.465 1.00 0.00 N ATOM 67 CA ASP A 8 8.957 -23.912 -6.192 1.00 0.00 C ATOM 68 C ASP A 8 9.895 -22.719 -6.348 1.00 0.00 C ATOM 69 O ASP A 8 9.631 -21.637 -5.825 1.00 0.00 O ATOM 70 CB ASP A 8 9.509 -24.877 -5.141 1.00 0.00 C ATOM 71 CG ASP A 8 10.397 -25.946 -5.747 1.00 0.00 C ATOM 72 OD1 ASP A 8 11.380 -25.584 -6.428 1.00 0.00 O ATOM 73 OD2 ASP A 8 10.110 -27.143 -5.541 1.00 0.00 O ATOM 0 HA ASP A 8 7.985 -23.546 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.076 -24.316 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.680 -25.352 -4.617 1.00 0.00 H new ATOM 78 N GLU A 9 10.992 -22.926 -7.070 1.00 0.00 N ATOM 79 CA GLU A 9 11.970 -21.868 -7.293 1.00 0.00 C ATOM 80 C GLU A 9 11.278 -20.531 -7.540 1.00 0.00 C ATOM 81 O GLU A 9 11.744 -19.486 -7.085 1.00 0.00 O ATOM 82 CB GLU A 9 12.870 -22.216 -8.480 1.00 0.00 C ATOM 83 CG GLU A 9 12.104 -22.493 -9.763 1.00 0.00 C ATOM 84 CD GLU A 9 12.981 -23.088 -10.849 1.00 0.00 C ATOM 85 OE1 GLU A 9 13.460 -24.226 -10.666 1.00 0.00 O ATOM 86 OE2 GLU A 9 13.187 -22.415 -11.880 1.00 0.00 O ATOM 0 H GLU A 9 11.225 -23.816 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 9 12.583 -21.780 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.565 -21.394 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.468 -23.092 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.281 -23.176 -9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.662 -21.565 -10.126 1.00 0.00 H new ATOM 93 N GLU A 10 10.164 -20.572 -8.263 1.00 0.00 N ATOM 94 CA GLU A 10 9.409 -19.364 -8.572 1.00 0.00 C ATOM 95 C GLU A 10 8.833 -18.743 -7.303 1.00 0.00 C ATOM 96 O GLU A 10 8.958 -17.540 -7.073 1.00 0.00 O ATOM 97 CB GLU A 10 8.280 -19.679 -9.556 1.00 0.00 C ATOM 98 CG GLU A 10 8.751 -19.833 -10.993 1.00 0.00 C ATOM 99 CD GLU A 10 7.693 -20.445 -11.891 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.436 -21.660 -11.763 1.00 0.00 O ATOM 101 OE2 GLU A 10 7.121 -19.707 -12.721 1.00 0.00 O ATOM 0 H GLU A 10 9.764 -21.429 -8.646 1.00 0.00 H new ATOM 0 HA GLU A 10 10.091 -18.647 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.784 -20.598 -9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.536 -18.884 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.034 -18.856 -11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.645 -20.456 -11.014 1.00 0.00 H new ATOM 108 N THR A 11 8.200 -19.573 -6.479 1.00 0.00 N ATOM 109 CA THR A 11 7.603 -19.107 -5.234 1.00 0.00 C ATOM 110 C THR A 11 8.613 -18.332 -4.396 1.00 0.00 C ATOM 111 O THR A 11 8.318 -17.247 -3.895 1.00 0.00 O ATOM 112 CB THR A 11 7.054 -20.280 -4.401 1.00 0.00 C ATOM 113 OG1 THR A 11 6.050 -20.982 -5.143 1.00 0.00 O ATOM 114 CG2 THR A 11 6.467 -19.784 -3.088 1.00 0.00 C ATOM 0 H THR A 11 8.088 -20.572 -6.652 1.00 0.00 H new ATOM 0 HA THR A 11 6.779 -18.447 -5.506 1.00 0.00 H new ATOM 0 HB THR A 11 7.880 -20.956 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.708 -21.727 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.086 -20.631 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.241 -19.277 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.653 -19.089 -3.293 1.00 0.00 H new ATOM 122 N LYS A 12 9.808 -18.895 -4.248 1.00 0.00 N ATOM 123 CA LYS A 12 10.864 -18.256 -3.473 1.00 0.00 C ATOM 124 C LYS A 12 11.135 -16.844 -3.982 1.00 0.00 C ATOM 125 O LYS A 12 11.199 -15.894 -3.203 1.00 0.00 O ATOM 126 CB LYS A 12 12.147 -19.088 -3.537 1.00 0.00 C ATOM 127 CG LYS A 12 12.150 -20.274 -2.588 1.00 0.00 C ATOM 128 CD LYS A 12 13.529 -20.906 -2.491 1.00 0.00 C ATOM 129 CE LYS A 12 13.540 -22.071 -1.512 1.00 0.00 C ATOM 130 NZ LYS A 12 14.925 -22.452 -1.120 1.00 0.00 N ATOM 0 H LYS A 12 10.069 -19.793 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 12 10.531 -18.192 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.286 -19.448 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.998 -18.447 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.826 -19.951 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.431 -21.018 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.841 -21.254 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.253 -20.156 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.971 -21.803 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.041 -22.929 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.890 -23.249 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.461 -22.732 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.393 -21.641 -0.667 1.00 0.00 H new ATOM 144 N ALA A 13 11.293 -16.714 -5.296 1.00 0.00 N ATOM 145 CA ALA A 13 11.554 -15.418 -5.909 1.00 0.00 C ATOM 146 C ALA A 13 10.406 -14.448 -5.652 1.00 0.00 C ATOM 147 O ALA A 13 10.617 -13.242 -5.517 1.00 0.00 O ATOM 148 CB ALA A 13 11.787 -15.579 -7.404 1.00 0.00 C ATOM 0 H ALA A 13 11.245 -17.491 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 13 12.454 -15.003 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.981 -14.603 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.645 -16.231 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.903 -16.019 -7.865 1.00 0.00 H new ATOM 154 N PHE A 14 9.190 -14.981 -5.586 1.00 0.00 N ATOM 155 CA PHE A 14 8.008 -14.162 -5.346 1.00 0.00 C ATOM 156 C PHE A 14 7.949 -13.704 -3.892 1.00 0.00 C ATOM 157 O PHE A 14 7.488 -12.602 -3.596 1.00 0.00 O ATOM 158 CB PHE A 14 6.740 -14.942 -5.699 1.00 0.00 C ATOM 159 CG PHE A 14 6.306 -14.768 -7.127 1.00 0.00 C ATOM 160 CD1 PHE A 14 5.748 -13.574 -7.554 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.458 -15.797 -8.042 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.347 -13.411 -8.866 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.059 -15.640 -9.356 1.00 0.00 C ATOM 164 CZ PHE A 14 5.504 -14.444 -9.769 1.00 0.00 C ATOM 0 H PHE A 14 8.998 -15.977 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 14 8.073 -13.280 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.909 -16.001 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.932 -14.623 -5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.625 -12.761 -6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.893 -16.733 -7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.911 -12.476 -9.185 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.181 -16.451 -10.059 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.194 -14.317 -10.796 1.00 0.00 H new ATOM 174 N GLU A 15 8.418 -14.559 -2.989 1.00 0.00 N ATOM 175 CA GLU A 15 8.417 -14.244 -1.566 1.00 0.00 C ATOM 176 C GLU A 15 9.346 -13.069 -1.268 1.00 0.00 C ATOM 177 O GLU A 15 9.108 -12.296 -0.341 1.00 0.00 O ATOM 178 CB GLU A 15 8.845 -15.465 -0.749 1.00 0.00 C ATOM 179 CG GLU A 15 7.879 -16.634 -0.852 1.00 0.00 C ATOM 180 CD GLU A 15 7.878 -17.501 0.392 1.00 0.00 C ATOM 181 OE1 GLU A 15 7.244 -17.105 1.391 1.00 0.00 O ATOM 182 OE2 GLU A 15 8.513 -18.577 0.365 1.00 0.00 O ATOM 0 H GLU A 15 8.803 -15.475 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 15 7.402 -13.965 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.831 -15.788 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.942 -15.176 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.872 -16.254 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.144 -17.244 -1.715 1.00 0.00 H new ATOM 189 N ALA A 16 10.404 -12.944 -2.062 1.00 0.00 N ATOM 190 CA ALA A 16 11.367 -11.864 -1.885 1.00 0.00 C ATOM 191 C ALA A 16 11.015 -10.666 -2.760 1.00 0.00 C ATOM 192 O ALA A 16 11.117 -9.517 -2.328 1.00 0.00 O ATOM 193 CB ALA A 16 12.773 -12.354 -2.199 1.00 0.00 C ATOM 0 H ALA A 16 10.616 -13.577 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 16 11.329 -11.544 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.482 -11.537 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.031 -13.174 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.815 -12.702 -3.231 1.00 0.00 H new ATOM 199 N LEU A 17 10.602 -10.940 -3.992 1.00 0.00 N ATOM 200 CA LEU A 17 10.235 -9.884 -4.929 1.00 0.00 C ATOM 201 C LEU A 17 8.976 -9.158 -4.466 1.00 0.00 C ATOM 202 O LEU A 17 8.974 -7.937 -4.306 1.00 0.00 O ATOM 203 CB LEU A 17 10.017 -10.467 -6.326 1.00 0.00 C ATOM 204 CG LEU A 17 9.181 -9.618 -7.285 1.00 0.00 C ATOM 205 CD1 LEU A 17 10.029 -8.515 -7.899 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.568 -10.489 -8.372 1.00 0.00 C ATOM 0 H LEU A 17 10.513 -11.885 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 17 11.054 -9.165 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.992 -10.640 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.537 -11.440 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 17 8.373 -9.155 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.417 -7.921 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.420 -7.874 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.858 -8.958 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.977 -9.868 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.361 -10.981 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.926 -11.243 -7.916 1.00 0.00 H new ATOM 218 N LEU A 18 7.908 -9.918 -4.251 1.00 0.00 N ATOM 219 CA LEU A 18 6.642 -9.347 -3.803 1.00 0.00 C ATOM 220 C LEU A 18 6.841 -8.488 -2.558 1.00 0.00 C ATOM 221 O LEU A 18 6.116 -7.518 -2.339 1.00 0.00 O ATOM 222 CB LEU A 18 5.633 -10.460 -3.512 1.00 0.00 C ATOM 223 CG LEU A 18 5.211 -11.313 -4.709 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.480 -12.562 -4.243 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.339 -10.505 -5.659 1.00 0.00 C ATOM 0 H LEU A 18 7.893 -10.930 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 18 6.256 -8.713 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.057 -11.118 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.740 -10.009 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 18 6.108 -11.621 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.187 -13.157 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.137 -13.151 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.590 -12.275 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.048 -11.128 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.446 -10.166 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.897 -9.641 -6.020 1.00 0.00 H new ATOM 237 N SER A 19 7.830 -8.851 -1.747 1.00 0.00 N ATOM 238 CA SER A 19 8.124 -8.115 -0.524 1.00 0.00 C ATOM 239 C SER A 19 9.244 -7.105 -0.753 1.00 0.00 C ATOM 240 O SER A 19 9.954 -6.727 0.178 1.00 0.00 O ATOM 241 CB SER A 19 8.514 -9.081 0.597 1.00 0.00 C ATOM 242 OG SER A 19 8.869 -8.378 1.775 1.00 0.00 O ATOM 0 H SER A 19 8.441 -9.650 -1.915 1.00 0.00 H new ATOM 0 HA SER A 19 7.225 -7.573 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.682 -9.753 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.351 -9.700 0.273 1.00 0.00 H new ATOM 0 HG SER A 19 9.463 -7.633 1.545 1.00 0.00 H new ATOM 248 N ASN A 20 9.396 -6.673 -2.001 1.00 0.00 N ATOM 249 CA ASN A 20 10.430 -5.707 -2.355 1.00 0.00 C ATOM 250 C ASN A 20 9.813 -4.433 -2.924 1.00 0.00 C ATOM 251 O ASN A 20 10.421 -3.755 -3.753 1.00 0.00 O ATOM 252 CB ASN A 20 11.400 -6.316 -3.370 1.00 0.00 C ATOM 253 CG ASN A 20 12.755 -5.635 -3.355 1.00 0.00 C ATOM 254 OD1 ASN A 20 12.920 -4.569 -2.762 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.733 -6.250 -4.011 1.00 0.00 N ATOM 0 H ASN A 20 8.817 -6.976 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 20 10.978 -5.450 -1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.527 -7.377 -3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.970 -6.242 -4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.666 -5.840 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.550 -7.133 -4.489 1.00 0.00 H new ATOM 262 N ILE A 21 8.605 -4.115 -2.474 1.00 0.00 N ATOM 263 CA ILE A 21 7.907 -2.923 -2.938 1.00 0.00 C ATOM 264 C ILE A 21 8.213 -1.725 -2.045 1.00 0.00 C ATOM 265 O ILE A 21 8.967 -1.834 -1.078 1.00 0.00 O ATOM 266 CB ILE A 21 6.383 -3.142 -2.978 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.775 -2.904 -1.594 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.063 -4.546 -3.469 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.364 -3.784 -0.515 1.00 0.00 C ATOM 0 H ILE A 21 8.089 -4.666 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 21 8.264 -2.722 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 21 5.946 -2.426 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.919 -1.859 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.700 -3.075 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.982 -4.686 -3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.468 -4.682 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.509 -5.278 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.886 -3.560 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.197 -4.831 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.435 -3.596 -0.436 1.00 0.00 H new ATOM 281 N VAL A 22 7.622 -0.581 -2.376 1.00 0.00 N ATOM 282 CA VAL A 22 7.829 0.638 -1.603 1.00 0.00 C ATOM 283 C VAL A 22 6.525 1.119 -0.975 1.00 0.00 C ATOM 284 O VAL A 22 5.486 1.163 -1.633 1.00 0.00 O ATOM 285 CB VAL A 22 8.411 1.765 -2.477 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.680 3.006 -1.639 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.680 1.296 -3.173 1.00 0.00 C ATOM 0 H VAL A 22 6.996 -0.473 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 22 8.541 0.395 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 22 7.679 2.024 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.091 3.791 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.748 3.352 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.394 2.765 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.078 2.104 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.420 1.009 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.452 0.438 -3.806 1.00 0.00 H new ATOM 297 N LYS A 23 6.588 1.479 0.302 1.00 0.00 N ATOM 298 CA LYS A 23 5.413 1.959 1.021 1.00 0.00 C ATOM 299 C LYS A 23 4.635 2.966 0.180 1.00 0.00 C ATOM 300 O LYS A 23 5.208 3.789 -0.534 1.00 0.00 O ATOM 301 CB LYS A 23 5.828 2.599 2.348 1.00 0.00 C ATOM 302 CG LYS A 23 6.194 4.068 2.226 1.00 0.00 C ATOM 303 CD LYS A 23 6.371 4.713 3.591 1.00 0.00 C ATOM 304 CE LYS A 23 7.088 6.050 3.486 1.00 0.00 C ATOM 305 NZ LYS A 23 6.666 6.991 4.561 1.00 0.00 N ATOM 0 H LYS A 23 7.441 1.448 0.861 1.00 0.00 H new ATOM 0 HA LYS A 23 4.767 1.105 1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.012 2.495 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.680 2.053 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.116 4.168 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.416 4.593 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.396 4.857 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.937 4.045 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.165 5.890 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.885 6.496 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.177 7.891 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.643 7.163 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.883 6.577 5.490 1.00 0.00 H new ATOM 319 N PRO A 24 3.298 2.902 0.266 1.00 0.00 N ATOM 320 CA PRO A 24 2.413 3.803 -0.478 1.00 0.00 C ATOM 321 C PRO A 24 2.476 5.236 0.039 1.00 0.00 C ATOM 322 O PRO A 24 3.026 5.497 1.109 1.00 0.00 O ATOM 323 CB PRO A 24 1.022 3.210 -0.241 1.00 0.00 C ATOM 324 CG PRO A 24 1.140 2.473 1.049 1.00 0.00 C ATOM 325 CD PRO A 24 2.547 1.947 1.098 1.00 0.00 C ATOM 0 HA PRO A 24 2.690 3.868 -1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.263 3.991 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.732 2.543 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.940 3.131 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.417 1.659 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.929 1.916 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.611 0.933 0.703 1.00 0.00 H new ATOM 333 N VAL A 25 1.909 6.162 -0.728 1.00 0.00 N ATOM 334 CA VAL A 25 1.900 7.570 -0.346 1.00 0.00 C ATOM 335 C VAL A 25 0.586 8.236 -0.737 1.00 0.00 C ATOM 336 O VAL A 25 0.036 7.968 -1.805 1.00 0.00 O ATOM 337 CB VAL A 25 3.066 8.336 -0.999 1.00 0.00 C ATOM 338 CG1 VAL A 25 2.902 9.834 -0.793 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.397 7.855 -0.442 1.00 0.00 C ATOM 0 H VAL A 25 1.450 5.963 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 25 2.014 7.605 0.737 1.00 0.00 H new ATOM 0 HB VAL A 25 3.054 8.138 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.735 10.359 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.966 10.163 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.887 10.055 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.210 8.407 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.423 8.022 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.514 6.791 -0.647 1.00 0.00 H new ATOM 349 N ALA A 26 0.088 9.107 0.135 1.00 0.00 N ATOM 350 CA ALA A 26 -1.160 9.815 -0.120 1.00 0.00 C ATOM 351 C ALA A 26 -0.898 11.191 -0.721 1.00 0.00 C ATOM 352 O ALA A 26 0.029 11.890 -0.315 1.00 0.00 O ATOM 353 CB ALA A 26 -1.967 9.942 1.164 1.00 0.00 C ATOM 0 H ALA A 26 0.530 9.339 1.024 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.736 9.236 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.897 10.473 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.194 8.949 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.389 10.496 1.904 1.00 0.00 H new ATOM 359 N SER A 27 -1.721 11.574 -1.693 1.00 0.00 N ATOM 360 CA SER A 27 -1.575 12.866 -2.353 1.00 0.00 C ATOM 361 C SER A 27 -2.883 13.650 -2.308 1.00 0.00 C ATOM 362 O SER A 27 -3.032 14.586 -1.522 1.00 0.00 O ATOM 363 CB SER A 27 -1.133 12.673 -3.805 1.00 0.00 C ATOM 364 OG SER A 27 -1.234 13.884 -4.534 1.00 0.00 O ATOM 0 H SER A 27 -2.495 11.008 -2.040 1.00 0.00 H new ATOM 0 HA SER A 27 -0.812 13.434 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.104 12.314 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.749 11.908 -4.277 1.00 0.00 H new ATOM 0 HG SER A 27 -0.944 13.735 -5.458 1.00 0.00 H new ATOM 370 N ASP A 28 -3.828 13.262 -3.157 1.00 0.00 N ATOM 371 CA ASP A 28 -5.125 13.927 -3.214 1.00 0.00 C ATOM 372 C ASP A 28 -6.017 13.477 -2.062 1.00 0.00 C ATOM 373 O ASP A 28 -7.126 12.986 -2.278 1.00 0.00 O ATOM 374 CB ASP A 28 -5.811 13.638 -4.550 1.00 0.00 C ATOM 375 CG ASP A 28 -5.476 14.671 -5.608 1.00 0.00 C ATOM 376 OD1 ASP A 28 -4.362 14.605 -6.170 1.00 0.00 O ATOM 377 OD2 ASP A 28 -6.326 15.546 -5.874 1.00 0.00 O ATOM 0 H ASP A 28 -3.721 12.490 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.960 15.001 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.512 12.651 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.891 13.610 -4.402 1.00 0.00 H new ATOM 382 N ILE A 29 -5.527 13.647 -0.839 1.00 0.00 N ATOM 383 CA ILE A 29 -6.281 13.259 0.347 1.00 0.00 C ATOM 384 C ILE A 29 -7.555 14.085 0.483 1.00 0.00 C ATOM 385 O ILE A 29 -7.504 15.311 0.572 1.00 0.00 O ATOM 386 CB ILE A 29 -5.439 13.420 1.627 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.180 12.554 1.547 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.263 13.054 2.852 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.065 13.023 2.456 1.00 0.00 C ATOM 0 H ILE A 29 -4.611 14.051 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.544 12.208 0.224 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.135 14.463 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.439 11.527 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.820 12.545 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.655 13.173 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.133 13.708 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.593 12.018 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.205 12.363 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.779 14.040 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.407 13.005 3.491 1.00 0.00 H new ATOM 401 N GLN A 30 -8.696 13.404 0.501 1.00 0.00 N ATOM 402 CA GLN A 30 -9.984 14.075 0.628 1.00 0.00 C ATOM 403 C GLN A 30 -10.679 13.678 1.926 1.00 0.00 C ATOM 404 O GLN A 30 -10.112 12.964 2.752 1.00 0.00 O ATOM 405 CB GLN A 30 -10.878 13.739 -0.567 1.00 0.00 C ATOM 406 CG GLN A 30 -10.754 14.725 -1.717 1.00 0.00 C ATOM 407 CD GLN A 30 -11.020 14.086 -3.065 1.00 0.00 C ATOM 408 OE1 GLN A 30 -11.898 13.233 -3.199 1.00 0.00 O ATOM 409 NE2 GLN A 30 -10.262 14.496 -4.075 1.00 0.00 N ATOM 0 H GLN A 30 -8.755 12.388 0.429 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.805 15.150 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.629 12.741 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.916 13.709 -0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.455 15.546 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.753 15.156 -1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.546 15.205 -3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.396 14.102 -5.006 1.00 0.00 H new ATOM 418 N ALA A 31 -11.911 14.147 2.099 1.00 0.00 N ATOM 419 CA ALA A 31 -12.684 13.840 3.296 1.00 0.00 C ATOM 420 C ALA A 31 -12.476 12.392 3.727 1.00 0.00 C ATOM 421 O ALA A 31 -11.821 12.122 4.734 1.00 0.00 O ATOM 422 CB ALA A 31 -14.161 14.114 3.055 1.00 0.00 C ATOM 0 H ALA A 31 -12.395 14.741 1.425 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.333 14.485 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.726 13.880 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.300 15.165 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.517 13.493 2.233 1.00 0.00 H new ATOM 428 N ARG A 32 -13.039 11.465 2.959 1.00 0.00 N ATOM 429 CA ARG A 32 -12.917 10.044 3.263 1.00 0.00 C ATOM 430 C ARG A 32 -12.085 9.330 2.202 1.00 0.00 C ATOM 431 O ARG A 32 -11.424 8.330 2.483 1.00 0.00 O ATOM 432 CB ARG A 32 -14.301 9.400 3.360 1.00 0.00 C ATOM 433 CG ARG A 32 -15.338 10.284 4.033 1.00 0.00 C ATOM 434 CD ARG A 32 -16.737 10.003 3.507 1.00 0.00 C ATOM 435 NE ARG A 32 -16.960 10.609 2.197 1.00 0.00 N ATOM 436 CZ ARG A 32 -17.317 11.877 2.025 1.00 0.00 C ATOM 437 NH1 ARG A 32 -17.489 12.669 3.075 1.00 0.00 N ATOM 438 NH2 ARG A 32 -17.502 12.356 0.802 1.00 0.00 N ATOM 0 H ARG A 32 -13.584 11.672 2.122 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.411 9.946 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.646 9.148 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.219 8.464 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.314 10.120 5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.089 11.332 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.889 8.926 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.474 10.385 4.214 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.835 10.027 1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.347 12.305 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.763 13.642 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.370 11.751 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.776 13.330 0.672 1.00 0.00 H new ATOM 452 N THR A 33 -12.122 9.851 0.979 1.00 0.00 N ATOM 453 CA THR A 33 -11.374 9.263 -0.125 1.00 0.00 C ATOM 454 C THR A 33 -10.008 9.923 -0.276 1.00 0.00 C ATOM 455 O THR A 33 -9.800 11.052 0.168 1.00 0.00 O ATOM 456 CB THR A 33 -12.142 9.390 -1.454 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.459 10.763 -1.708 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.421 8.567 -1.421 1.00 0.00 C ATOM 0 H THR A 33 -12.662 10.679 0.729 1.00 0.00 H new ATOM 0 HA THR A 33 -11.241 8.207 0.110 1.00 0.00 H new ATOM 0 HB THR A 33 -11.505 9.011 -2.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.846 11.120 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.946 8.673 -2.370 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.174 7.518 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.060 8.920 -0.612 1.00 0.00 H new ATOM 466 N VAL A 34 -9.079 9.211 -0.906 1.00 0.00 N ATOM 467 CA VAL A 34 -7.732 9.728 -1.117 1.00 0.00 C ATOM 468 C VAL A 34 -7.051 9.027 -2.287 1.00 0.00 C ATOM 469 O VAL A 34 -7.498 7.972 -2.738 1.00 0.00 O ATOM 470 CB VAL A 34 -6.863 9.560 0.144 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.666 9.886 1.394 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.296 8.150 0.216 1.00 0.00 C ATOM 0 H VAL A 34 -9.235 8.275 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.832 10.790 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.029 10.259 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.035 9.762 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.018 10.916 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.521 9.214 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.685 8.049 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.114 7.430 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.683 7.959 -0.665 1.00 0.00 H new ATOM 482 N VAL A 35 -5.966 9.620 -2.775 1.00 0.00 N ATOM 483 CA VAL A 35 -5.222 9.052 -3.892 1.00 0.00 C ATOM 484 C VAL A 35 -3.890 8.473 -3.428 1.00 0.00 C ATOM 485 O VAL A 35 -2.916 9.202 -3.238 1.00 0.00 O ATOM 486 CB VAL A 35 -4.958 10.106 -4.984 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.972 9.573 -6.013 1.00 0.00 C ATOM 488 CG2 VAL A 35 -6.261 10.523 -5.648 1.00 0.00 C ATOM 0 H VAL A 35 -5.583 10.494 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.837 8.254 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.518 10.987 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.798 10.331 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.030 9.329 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.381 8.676 -6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.056 11.268 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.732 9.652 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.931 10.948 -4.900 1.00 0.00 H new ATOM 498 N LEU A 36 -3.855 7.157 -3.246 1.00 0.00 N ATOM 499 CA LEU A 36 -2.642 6.478 -2.804 1.00 0.00 C ATOM 500 C LEU A 36 -1.819 6.001 -3.997 1.00 0.00 C ATOM 501 O LEU A 36 -2.328 5.311 -4.881 1.00 0.00 O ATOM 502 CB LEU A 36 -2.997 5.290 -1.908 1.00 0.00 C ATOM 503 CG LEU A 36 -1.882 4.783 -0.994 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.572 5.805 0.089 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.266 3.447 -0.374 1.00 0.00 C ATOM 0 H LEU A 36 -4.652 6.539 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.044 7.189 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.849 5.570 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.322 4.466 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.985 4.638 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.776 5.426 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.252 6.739 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.465 5.983 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.460 3.101 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.177 3.566 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.436 2.715 -1.164 1.00 0.00 H new ATOM 517 N THR A 37 -0.543 6.373 -4.015 1.00 0.00 N ATOM 518 CA THR A 37 0.351 5.983 -5.098 1.00 0.00 C ATOM 519 C THR A 37 1.572 5.244 -4.564 1.00 0.00 C ATOM 520 O THR A 37 2.279 5.744 -3.689 1.00 0.00 O ATOM 521 CB THR A 37 0.820 7.207 -5.908 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.285 8.084 -6.154 1.00 0.00 O ATOM 523 CG2 THR A 37 1.437 6.777 -7.230 1.00 0.00 C ATOM 0 H THR A 37 -0.106 6.944 -3.292 1.00 0.00 H new ATOM 0 HA THR A 37 -0.215 5.319 -5.751 1.00 0.00 H new ATOM 0 HB THR A 37 1.577 7.732 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.022 8.860 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.761 7.658 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.296 6.133 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.698 6.231 -7.816 1.00 0.00 H new ATOM 531 N TRP A 38 1.814 4.051 -5.095 1.00 0.00 N ATOM 532 CA TRP A 38 2.952 3.242 -4.671 1.00 0.00 C ATOM 533 C TRP A 38 3.686 2.661 -5.874 1.00 0.00 C ATOM 534 O TRP A 38 3.090 2.441 -6.929 1.00 0.00 O ATOM 535 CB TRP A 38 2.486 2.114 -3.748 1.00 0.00 C ATOM 536 CG TRP A 38 1.593 1.121 -4.428 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.973 0.133 -5.290 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.170 1.023 -4.304 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.871 -0.574 -5.709 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.247 -0.048 -5.118 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.793 1.735 -3.583 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.583 -0.422 -5.230 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.119 1.363 -3.695 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.504 0.292 -4.513 1.00 0.00 C ATOM 0 H TRP A 38 1.238 3.622 -5.820 1.00 0.00 H new ATOM 0 HA TRP A 38 3.641 3.887 -4.126 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.359 1.595 -3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.957 2.545 -2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.989 -0.064 -5.597 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.884 -1.363 -6.356 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.506 2.561 -2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.882 -1.246 -5.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.871 1.907 -3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.548 0.025 -4.579 1.00 0.00 H new ATOM 555 N SER A 39 4.981 2.415 -5.709 1.00 0.00 N ATOM 556 CA SER A 39 5.797 1.862 -6.784 1.00 0.00 C ATOM 557 C SER A 39 5.805 0.338 -6.732 1.00 0.00 C ATOM 558 O SER A 39 5.598 -0.274 -5.683 1.00 0.00 O ATOM 559 CB SER A 39 7.228 2.395 -6.692 1.00 0.00 C ATOM 560 OG SER A 39 7.351 3.645 -7.349 1.00 0.00 O ATOM 0 H SER A 39 5.488 2.590 -4.841 1.00 0.00 H new ATOM 0 HA SER A 39 5.362 2.173 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.513 2.501 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.916 1.677 -7.138 1.00 0.00 H new ATOM 0 HG SER A 39 8.274 3.964 -7.274 1.00 0.00 H new ATOM 566 N PRO A 40 6.051 -0.292 -7.890 1.00 0.00 N ATOM 567 CA PRO A 40 6.093 -1.753 -8.003 1.00 0.00 C ATOM 568 C PRO A 40 7.309 -2.354 -7.306 1.00 0.00 C ATOM 569 O PRO A 40 8.266 -1.658 -6.968 1.00 0.00 O ATOM 570 CB PRO A 40 6.171 -1.990 -9.514 1.00 0.00 C ATOM 571 CG PRO A 40 6.784 -0.747 -10.061 1.00 0.00 C ATOM 572 CD PRO A 40 6.306 0.373 -9.179 1.00 0.00 C ATOM 0 HA PRO A 40 5.232 -2.223 -7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.777 -2.866 -9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.183 -2.164 -9.939 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.872 -0.812 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.482 -0.585 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.056 1.158 -9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.404 0.840 -9.576 1.00 0.00 H new ATOM 580 N PRO A 41 7.272 -3.677 -7.087 1.00 0.00 N ATOM 581 CA PRO A 41 8.364 -4.400 -6.429 1.00 0.00 C ATOM 582 C PRO A 41 9.614 -4.480 -7.299 1.00 0.00 C ATOM 583 O PRO A 41 9.536 -4.378 -8.524 1.00 0.00 O ATOM 584 CB PRO A 41 7.780 -5.796 -6.203 1.00 0.00 C ATOM 585 CG PRO A 41 6.733 -5.943 -7.253 1.00 0.00 C ATOM 586 CD PRO A 41 6.162 -4.568 -7.464 1.00 0.00 C ATOM 0 HA PRO A 41 8.687 -3.905 -5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.546 -6.566 -6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.355 -5.890 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.159 -6.335 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.959 -6.643 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.857 -4.414 -8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.282 -4.399 -6.843 1.00 0.00 H new ATOM 594 N SER A 42 10.765 -4.663 -6.660 1.00 0.00 N ATOM 595 CA SER A 42 12.031 -4.754 -7.376 1.00 0.00 C ATOM 596 C SER A 42 12.461 -6.209 -7.538 1.00 0.00 C ATOM 597 O SER A 42 12.557 -6.952 -6.562 1.00 0.00 O ATOM 598 CB SER A 42 13.117 -3.969 -6.637 1.00 0.00 C ATOM 599 OG SER A 42 14.068 -3.437 -7.543 1.00 0.00 O ATOM 0 H SER A 42 10.846 -4.751 -5.647 1.00 0.00 H new ATOM 0 HA SER A 42 11.891 -4.322 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.661 -3.160 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.617 -4.621 -5.921 1.00 0.00 H new ATOM 0 HG SER A 42 14.750 -2.939 -7.046 1.00 0.00 H new ATOM 605 N SER A 43 12.719 -6.608 -8.780 1.00 0.00 N ATOM 606 CA SER A 43 13.135 -7.975 -9.072 1.00 0.00 C ATOM 607 C SER A 43 14.651 -8.114 -8.972 1.00 0.00 C ATOM 608 O SER A 43 15.390 -7.614 -9.821 1.00 0.00 O ATOM 609 CB SER A 43 12.665 -8.386 -10.469 1.00 0.00 C ATOM 610 OG SER A 43 11.453 -7.736 -10.810 1.00 0.00 O ATOM 0 H SER A 43 12.647 -6.005 -9.599 1.00 0.00 H new ATOM 0 HA SER A 43 12.677 -8.634 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.433 -8.139 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.525 -9.466 -10.506 1.00 0.00 H new ATOM 0 HG SER A 43 11.338 -7.748 -11.783 1.00 0.00 H new ATOM 616 N LEU A 44 15.108 -8.798 -7.929 1.00 0.00 N ATOM 617 CA LEU A 44 16.537 -9.004 -7.716 1.00 0.00 C ATOM 618 C LEU A 44 17.047 -10.178 -8.546 1.00 0.00 C ATOM 619 O LEU A 44 18.108 -10.736 -8.264 1.00 0.00 O ATOM 620 CB LEU A 44 16.821 -9.252 -6.234 1.00 0.00 C ATOM 621 CG LEU A 44 16.129 -8.307 -5.251 1.00 0.00 C ATOM 622 CD1 LEU A 44 15.861 -9.013 -3.931 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.971 -7.059 -5.029 1.00 0.00 C ATOM 0 H LEU A 44 14.511 -9.219 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 44 17.061 -8.103 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.526 -10.273 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.897 -9.185 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 44 15.173 -8.005 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.368 -8.325 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.218 -9.876 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.805 -9.345 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.463 -6.398 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 44 17.942 -7.343 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 44 17.112 -6.541 -5.978 1.00 0.00 H new ATOM 635 N ILE A 45 16.286 -10.546 -9.571 1.00 0.00 N ATOM 636 CA ILE A 45 16.663 -11.651 -10.444 1.00 0.00 C ATOM 637 C ILE A 45 18.033 -11.414 -11.070 1.00 0.00 C ATOM 638 O ILE A 45 18.640 -12.329 -11.624 1.00 0.00 O ATOM 639 CB ILE A 45 15.628 -11.860 -11.566 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.229 -12.039 -10.972 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.006 -13.063 -12.417 1.00 0.00 C ATOM 642 CD1 ILE A 45 13.118 -11.614 -11.906 1.00 0.00 C ATOM 0 H ILE A 45 15.405 -10.095 -9.817 1.00 0.00 H new ATOM 0 HA ILE A 45 16.700 -12.546 -9.823 1.00 0.00 H new ATOM 0 HB ILE A 45 15.621 -10.976 -12.204 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.088 -13.086 -10.705 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.158 -11.462 -10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.266 -13.198 -13.205 1.00 0.00 H new ATOM 0 HG22 ILE A 45 16.986 -12.899 -12.864 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.037 -13.955 -11.792 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.155 -11.768 -11.420 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.234 -10.559 -12.154 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.163 -12.208 -12.819 1.00 0.00 H new ATOM 654 N ASN A 46 18.515 -10.179 -10.975 1.00 0.00 N ATOM 655 CA ASN A 46 19.816 -9.822 -11.531 1.00 0.00 C ATOM 656 C ASN A 46 19.819 -9.973 -13.049 1.00 0.00 C ATOM 657 O ASN A 46 20.866 -10.182 -13.661 1.00 0.00 O ATOM 658 CB ASN A 46 20.913 -10.695 -10.918 1.00 0.00 C ATOM 659 CG ASN A 46 20.959 -10.588 -9.406 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.771 -9.510 -8.843 1.00 0.00 O ATOM 661 ND2 ASN A 46 21.212 -11.709 -8.741 1.00 0.00 N ATOM 0 H ASN A 46 18.025 -9.409 -10.519 1.00 0.00 H new ATOM 0 HA ASN A 46 20.013 -8.778 -11.287 1.00 0.00 H new ATOM 0 HB2 ASN A 46 20.747 -11.734 -11.201 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.879 -10.403 -11.330 1.00 0.00 H new ATOM 0 HD21 ASN A 46 21.257 -11.698 -7.722 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.362 -12.581 -9.249 1.00 0.00 H new ATOM 668 N GLY A 47 18.638 -9.866 -13.652 1.00 0.00 N ATOM 669 CA GLY A 47 18.527 -9.993 -15.093 1.00 0.00 C ATOM 670 C GLY A 47 18.711 -11.421 -15.565 1.00 0.00 C ATOM 671 O GLY A 47 18.553 -11.715 -16.750 1.00 0.00 O ATOM 0 H GLY A 47 17.757 -9.694 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.550 -9.631 -15.412 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.273 -9.357 -15.569 1.00 0.00 H new ATOM 675 N GLU A 48 19.047 -12.311 -14.637 1.00 0.00 N ATOM 676 CA GLU A 48 19.254 -13.716 -14.966 1.00 0.00 C ATOM 677 C GLU A 48 18.227 -14.193 -15.988 1.00 0.00 C ATOM 678 O GLU A 48 18.511 -15.063 -16.812 1.00 0.00 O ATOM 679 CB GLU A 48 19.171 -14.577 -13.703 1.00 0.00 C ATOM 680 CG GLU A 48 19.839 -15.934 -13.847 1.00 0.00 C ATOM 681 CD GLU A 48 19.496 -16.876 -12.709 1.00 0.00 C ATOM 682 OE1 GLU A 48 20.146 -16.784 -11.647 1.00 0.00 O ATOM 683 OE2 GLU A 48 18.578 -17.705 -12.881 1.00 0.00 O ATOM 0 H GLU A 48 19.182 -12.084 -13.652 1.00 0.00 H new ATOM 0 HA GLU A 48 20.248 -13.817 -15.401 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.634 -14.039 -12.876 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.123 -14.723 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.536 -16.386 -14.792 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.920 -15.800 -13.890 1.00 0.00 H new ATOM 690 N THR A 49 17.030 -13.618 -15.928 1.00 0.00 N ATOM 691 CA THR A 49 15.959 -13.984 -16.846 1.00 0.00 C ATOM 692 C THR A 49 15.505 -12.783 -17.668 1.00 0.00 C ATOM 693 O THR A 49 15.675 -11.636 -17.255 1.00 0.00 O ATOM 694 CB THR A 49 14.747 -14.564 -16.093 1.00 0.00 C ATOM 695 OG1 THR A 49 13.858 -15.204 -17.015 1.00 0.00 O ATOM 696 CG2 THR A 49 14.004 -13.471 -15.340 1.00 0.00 C ATOM 0 H THR A 49 16.778 -12.896 -15.253 1.00 0.00 H new ATOM 0 HA THR A 49 16.362 -14.746 -17.513 1.00 0.00 H new ATOM 0 HB THR A 49 15.111 -15.296 -15.372 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.091 -15.572 -16.528 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.152 -13.905 -14.816 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.675 -13.006 -14.618 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.651 -12.718 -16.045 1.00 0.00 H new ATOM 704 N ASP A 50 14.926 -13.054 -18.833 1.00 0.00 N ATOM 705 CA ASP A 50 14.445 -11.995 -19.712 1.00 0.00 C ATOM 706 C ASP A 50 13.622 -10.973 -18.933 1.00 0.00 C ATOM 707 O ASP A 50 12.952 -11.315 -17.960 1.00 0.00 O ATOM 708 CB ASP A 50 13.606 -12.586 -20.846 1.00 0.00 C ATOM 709 CG ASP A 50 13.679 -11.757 -22.113 1.00 0.00 C ATOM 710 OD1 ASP A 50 13.009 -10.705 -22.174 1.00 0.00 O ATOM 711 OD2 ASP A 50 14.407 -12.160 -23.044 1.00 0.00 O ATOM 0 H ASP A 50 14.779 -13.998 -19.190 1.00 0.00 H new ATOM 0 HA ASP A 50 15.311 -11.488 -20.137 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.949 -13.599 -21.058 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.567 -12.662 -20.524 1.00 0.00 H new ATOM 716 N GLU A 51 13.680 -9.718 -19.369 1.00 0.00 N ATOM 717 CA GLU A 51 12.941 -8.647 -18.710 1.00 0.00 C ATOM 718 C GLU A 51 11.439 -8.817 -18.914 1.00 0.00 C ATOM 719 O GLU A 51 10.638 -8.423 -18.067 1.00 0.00 O ATOM 720 CB GLU A 51 13.389 -7.285 -19.245 1.00 0.00 C ATOM 721 CG GLU A 51 14.898 -7.114 -19.287 1.00 0.00 C ATOM 722 CD GLU A 51 15.324 -5.880 -20.058 1.00 0.00 C ATOM 723 OE1 GLU A 51 15.431 -4.801 -19.438 1.00 0.00 O ATOM 724 OE2 GLU A 51 15.550 -5.992 -21.281 1.00 0.00 O ATOM 0 H GLU A 51 14.230 -9.419 -20.174 1.00 0.00 H new ATOM 0 HA GLU A 51 13.153 -8.698 -17.642 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.988 -7.149 -20.250 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.960 -6.500 -18.622 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.281 -7.052 -18.269 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.347 -7.996 -19.743 1.00 0.00 H new ATOM 731 N SER A 52 11.064 -9.407 -20.045 1.00 0.00 N ATOM 732 CA SER A 52 9.658 -9.625 -20.364 1.00 0.00 C ATOM 733 C SER A 52 9.156 -10.925 -19.742 1.00 0.00 C ATOM 734 O SER A 52 8.281 -11.593 -20.294 1.00 0.00 O ATOM 735 CB SER A 52 9.456 -9.661 -21.880 1.00 0.00 C ATOM 736 OG SER A 52 10.162 -10.742 -22.463 1.00 0.00 O ATOM 0 H SER A 52 11.714 -9.742 -20.755 1.00 0.00 H new ATOM 0 HA SER A 52 9.084 -8.797 -19.948 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.394 -9.752 -22.106 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.796 -8.722 -22.318 1.00 0.00 H new ATOM 0 HG SER A 52 11.126 -10.573 -22.405 1.00 0.00 H new ATOM 742 N SER A 53 9.716 -11.277 -18.589 1.00 0.00 N ATOM 743 CA SER A 53 9.328 -12.498 -17.893 1.00 0.00 C ATOM 744 C SER A 53 8.585 -12.174 -16.601 1.00 0.00 C ATOM 745 O SER A 53 7.618 -12.846 -16.242 1.00 0.00 O ATOM 746 CB SER A 53 10.563 -13.348 -17.585 1.00 0.00 C ATOM 747 OG SER A 53 10.252 -14.385 -16.670 1.00 0.00 O ATOM 0 H SER A 53 10.439 -10.734 -18.117 1.00 0.00 H new ATOM 0 HA SER A 53 8.660 -13.062 -18.544 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.952 -13.778 -18.508 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.349 -12.717 -17.171 1.00 0.00 H new ATOM 0 HG SER A 53 11.057 -14.915 -16.490 1.00 0.00 H new ATOM 753 N VAL A 54 9.043 -11.139 -15.905 1.00 0.00 N ATOM 754 CA VAL A 54 8.422 -10.723 -14.653 1.00 0.00 C ATOM 755 C VAL A 54 7.045 -10.116 -14.897 1.00 0.00 C ATOM 756 O VAL A 54 6.864 -9.252 -15.755 1.00 0.00 O ATOM 757 CB VAL A 54 9.297 -9.699 -13.905 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.589 -10.346 -13.431 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.587 -8.498 -14.792 1.00 0.00 C ATOM 0 H VAL A 54 9.843 -10.572 -16.187 1.00 0.00 H new ATOM 0 HA VAL A 54 8.318 -11.618 -14.039 1.00 0.00 H new ATOM 0 HB VAL A 54 8.750 -9.351 -13.029 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.194 -9.608 -12.905 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.357 -11.171 -12.758 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.143 -10.724 -14.290 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.206 -7.785 -14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.114 -8.826 -15.688 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.649 -8.021 -15.077 1.00 0.00 H new ATOM 769 N PRO A 55 6.050 -10.578 -14.126 1.00 0.00 N ATOM 770 CA PRO A 55 4.671 -10.094 -14.240 1.00 0.00 C ATOM 771 C PRO A 55 4.518 -8.659 -13.747 1.00 0.00 C ATOM 772 O PRO A 55 5.428 -8.105 -13.131 1.00 0.00 O ATOM 773 CB PRO A 55 3.883 -11.054 -13.344 1.00 0.00 C ATOM 774 CG PRO A 55 4.879 -11.553 -12.356 1.00 0.00 C ATOM 775 CD PRO A 55 6.194 -11.609 -13.084 1.00 0.00 C ATOM 0 HA PRO A 55 4.329 -10.077 -15.275 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.056 -10.545 -12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.454 -11.873 -13.922 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.939 -10.889 -11.493 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.598 -12.538 -11.982 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.031 -11.395 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.373 -12.594 -13.515 1.00 0.00 H new ATOM 783 N GLU A 56 3.362 -8.064 -14.022 1.00 0.00 N ATOM 784 CA GLU A 56 3.091 -6.692 -13.606 1.00 0.00 C ATOM 785 C GLU A 56 1.697 -6.573 -12.998 1.00 0.00 C ATOM 786 O GLU A 56 1.163 -5.473 -12.853 1.00 0.00 O ATOM 787 CB GLU A 56 3.224 -5.739 -14.796 1.00 0.00 C ATOM 788 CG GLU A 56 2.013 -5.738 -15.713 1.00 0.00 C ATOM 789 CD GLU A 56 2.033 -4.591 -16.704 1.00 0.00 C ATOM 790 OE1 GLU A 56 2.774 -4.685 -17.705 1.00 0.00 O ATOM 791 OE2 GLU A 56 1.308 -3.599 -16.480 1.00 0.00 O ATOM 0 H GLU A 56 2.598 -8.509 -14.531 1.00 0.00 H new ATOM 0 HA GLU A 56 3.824 -6.418 -12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.388 -4.728 -14.424 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.107 -6.014 -15.374 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.973 -6.682 -16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.106 -5.678 -15.111 1.00 0.00 H new ATOM 798 N LEU A 57 1.112 -7.713 -12.646 1.00 0.00 N ATOM 799 CA LEU A 57 -0.221 -7.738 -12.054 1.00 0.00 C ATOM 800 C LEU A 57 -0.145 -7.994 -10.552 1.00 0.00 C ATOM 801 O LEU A 57 -1.119 -8.429 -9.937 1.00 0.00 O ATOM 802 CB LEU A 57 -1.078 -8.813 -12.724 1.00 0.00 C ATOM 803 CG LEU A 57 -1.311 -8.646 -14.226 1.00 0.00 C ATOM 804 CD1 LEU A 57 -1.742 -7.223 -14.545 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.055 -9.011 -15.004 1.00 0.00 C ATOM 0 H LEU A 57 1.540 -8.632 -12.760 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.682 -6.763 -12.215 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.608 -9.782 -12.555 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.048 -8.838 -12.227 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.111 -9.322 -14.527 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.903 -7.124 -15.618 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.668 -6.996 -14.017 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.964 -6.528 -14.229 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.239 -8.886 -16.071 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.764 -8.360 -14.699 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.211 -10.048 -14.800 1.00 0.00 H new ATOM 817 N TYR A 58 1.016 -7.720 -9.968 1.00 0.00 N ATOM 818 CA TYR A 58 1.219 -7.921 -8.539 1.00 0.00 C ATOM 819 C TYR A 58 0.041 -7.373 -7.739 1.00 0.00 C ATOM 820 O TYR A 58 -0.059 -6.169 -7.505 1.00 0.00 O ATOM 821 CB TYR A 58 2.515 -7.247 -8.086 1.00 0.00 C ATOM 822 CG TYR A 58 3.739 -7.725 -8.835 1.00 0.00 C ATOM 823 CD1 TYR A 58 4.064 -9.075 -8.886 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.571 -6.826 -9.491 1.00 0.00 C ATOM 825 CE1 TYR A 58 5.181 -9.515 -9.568 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.689 -7.258 -10.177 1.00 0.00 C ATOM 827 CZ TYR A 58 5.991 -8.603 -10.212 1.00 0.00 C ATOM 828 OH TYR A 58 7.104 -9.038 -10.894 1.00 0.00 O ATOM 0 H TYR A 58 1.831 -7.358 -10.463 1.00 0.00 H new ATOM 0 HA TYR A 58 1.292 -8.993 -8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.418 -6.169 -8.215 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.657 -7.429 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.432 -9.792 -8.384 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.339 -5.771 -9.464 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.419 -10.568 -9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.324 -6.546 -10.684 1.00 0.00 H new ATOM 0 HH TYR A 58 6.973 -8.900 -11.855 1.00 0.00 H new ATOM 838 N GLY A 59 -0.850 -8.267 -7.320 1.00 0.00 N ATOM 839 CA GLY A 59 -2.009 -7.855 -6.550 1.00 0.00 C ATOM 840 C GLY A 59 -1.630 -7.126 -5.277 1.00 0.00 C ATOM 841 O GLY A 59 -1.146 -7.737 -4.323 1.00 0.00 O ATOM 0 H GLY A 59 -0.790 -9.269 -7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.637 -7.208 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.605 -8.732 -6.299 1.00 0.00 H new ATOM 845 N TYR A 60 -1.847 -5.815 -5.260 1.00 0.00 N ATOM 846 CA TYR A 60 -1.521 -5.001 -4.096 1.00 0.00 C ATOM 847 C TYR A 60 -2.739 -4.828 -3.194 1.00 0.00 C ATOM 848 O TYR A 60 -3.865 -4.692 -3.673 1.00 0.00 O ATOM 849 CB TYR A 60 -0.998 -3.632 -4.534 1.00 0.00 C ATOM 850 CG TYR A 60 0.108 -3.708 -5.562 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.363 -4.201 -5.225 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.100 -3.285 -6.869 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.377 -4.271 -6.161 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.908 -3.353 -7.811 1.00 0.00 C ATOM 855 CZ TYR A 60 2.145 -3.846 -7.452 1.00 0.00 C ATOM 856 OH TYR A 60 3.152 -3.914 -8.387 1.00 0.00 O ATOM 0 H TYR A 60 -2.248 -5.294 -6.040 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.743 -5.515 -3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.824 -3.051 -4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.633 -3.095 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.549 -4.535 -4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.067 -2.896 -7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.347 -4.657 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.728 -3.022 -8.823 1.00 0.00 H new ATOM 0 HH TYR A 60 2.824 -3.577 -9.247 1.00 0.00 H new ATOM 866 N GLU A 61 -2.504 -4.833 -1.885 1.00 0.00 N ATOM 867 CA GLU A 61 -3.582 -4.676 -0.916 1.00 0.00 C ATOM 868 C GLU A 61 -3.239 -3.600 0.110 1.00 0.00 C ATOM 869 O GLU A 61 -2.158 -3.611 0.700 1.00 0.00 O ATOM 870 CB GLU A 61 -3.857 -6.004 -0.207 1.00 0.00 C ATOM 871 CG GLU A 61 -4.523 -5.843 1.150 1.00 0.00 C ATOM 872 CD GLU A 61 -4.747 -7.168 1.851 1.00 0.00 C ATOM 873 OE1 GLU A 61 -5.710 -7.876 1.487 1.00 0.00 O ATOM 874 OE2 GLU A 61 -3.961 -7.499 2.763 1.00 0.00 O ATOM 0 H GLU A 61 -1.578 -4.944 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.478 -4.367 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.492 -6.621 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.916 -6.540 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.905 -5.203 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.480 -5.337 1.023 1.00 0.00 H new ATOM 881 N VAL A 62 -4.167 -2.671 0.318 1.00 0.00 N ATOM 882 CA VAL A 62 -3.964 -1.588 1.273 1.00 0.00 C ATOM 883 C VAL A 62 -4.415 -1.996 2.671 1.00 0.00 C ATOM 884 O VAL A 62 -5.512 -2.527 2.851 1.00 0.00 O ATOM 885 CB VAL A 62 -4.724 -0.317 0.850 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.580 0.768 1.906 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.229 0.174 -0.502 1.00 0.00 C ATOM 0 H VAL A 62 -5.067 -2.647 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.895 -1.375 1.288 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.782 -0.561 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.124 1.658 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.987 0.411 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.526 1.013 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.777 1.073 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.165 0.402 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.390 -0.601 -1.252 1.00 0.00 H new ATOM 897 N LEU A 63 -3.563 -1.743 3.659 1.00 0.00 N ATOM 898 CA LEU A 63 -3.875 -2.083 5.043 1.00 0.00 C ATOM 899 C LEU A 63 -3.887 -0.836 5.920 1.00 0.00 C ATOM 900 O LEU A 63 -2.884 -0.129 6.024 1.00 0.00 O ATOM 901 CB LEU A 63 -2.858 -3.091 5.582 1.00 0.00 C ATOM 902 CG LEU A 63 -2.530 -4.270 4.665 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.229 -4.933 5.092 1.00 0.00 C ATOM 904 CD2 LEU A 63 -3.670 -5.279 4.666 1.00 0.00 C ATOM 0 H LEU A 63 -2.652 -1.304 3.527 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.869 -2.531 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.932 -2.560 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.233 -3.485 6.527 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.405 -3.893 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.012 -5.770 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.417 -4.208 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.325 -5.297 6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.420 -6.111 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.826 -5.651 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.582 -4.798 4.312 1.00 0.00 H new ATOM 916 N ILE A 64 -5.026 -0.574 6.552 1.00 0.00 N ATOM 917 CA ILE A 64 -5.167 0.586 7.423 1.00 0.00 C ATOM 918 C ILE A 64 -5.739 0.188 8.780 1.00 0.00 C ATOM 919 O ILE A 64 -6.409 -0.837 8.906 1.00 0.00 O ATOM 920 CB ILE A 64 -6.073 1.658 6.791 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.482 1.103 6.574 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.480 2.144 5.477 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.538 2.176 6.427 1.00 0.00 C ATOM 0 H ILE A 64 -5.865 -1.150 6.477 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.168 1.001 7.560 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.139 2.506 7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.484 0.478 5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.744 0.460 7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.132 2.902 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.495 2.574 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.388 1.305 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.512 1.710 6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.564 2.787 7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.300 2.805 5.569 1.00 0.00 H new ATOM 935 N SER A 65 -5.472 1.007 9.792 1.00 0.00 N ATOM 936 CA SER A 65 -5.959 0.740 11.140 1.00 0.00 C ATOM 937 C SER A 65 -6.075 2.032 11.942 1.00 0.00 C ATOM 938 O SER A 65 -5.072 2.673 12.256 1.00 0.00 O ATOM 939 CB SER A 65 -5.025 -0.237 11.858 1.00 0.00 C ATOM 940 OG SER A 65 -5.392 -0.385 13.219 1.00 0.00 O ATOM 0 H SER A 65 -4.921 1.861 9.704 1.00 0.00 H new ATOM 0 HA SER A 65 -6.950 0.293 11.060 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.057 -1.207 11.362 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.998 0.121 11.792 1.00 0.00 H new ATOM 0 HG SER A 65 -5.785 -1.272 13.357 1.00 0.00 H new ATOM 946 N SER A 66 -7.307 2.409 12.270 1.00 0.00 N ATOM 947 CA SER A 66 -7.556 3.628 13.032 1.00 0.00 C ATOM 948 C SER A 66 -7.367 3.382 14.526 1.00 0.00 C ATOM 949 O SER A 66 -7.564 4.281 15.345 1.00 0.00 O ATOM 950 CB SER A 66 -8.971 4.142 12.763 1.00 0.00 C ATOM 951 OG SER A 66 -9.931 3.400 13.494 1.00 0.00 O ATOM 0 H SER A 66 -8.148 1.888 12.020 1.00 0.00 H new ATOM 0 HA SER A 66 -6.837 4.382 12.712 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.036 5.195 13.036 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.189 4.074 11.697 1.00 0.00 H new ATOM 0 HG SER A 66 -10.827 3.749 13.306 1.00 0.00 H new ATOM 957 N THR A 67 -6.983 2.158 14.874 1.00 0.00 N ATOM 958 CA THR A 67 -6.769 1.792 16.269 1.00 0.00 C ATOM 959 C THR A 67 -5.314 1.999 16.673 1.00 0.00 C ATOM 960 O THR A 67 -5.023 2.381 17.806 1.00 0.00 O ATOM 961 CB THR A 67 -7.159 0.326 16.531 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.535 0.117 16.192 1.00 0.00 O ATOM 963 CG2 THR A 67 -6.930 -0.043 17.989 1.00 0.00 C ATOM 0 H THR A 67 -6.814 1.403 14.209 1.00 0.00 H new ATOM 0 HA THR A 67 -7.406 2.442 16.868 1.00 0.00 H new ATOM 0 HB THR A 67 -6.530 -0.311 15.908 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.775 -0.818 16.360 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.213 -1.083 18.150 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.877 0.089 18.237 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.536 0.600 18.627 1.00 0.00 H new ATOM 971 N GLY A 68 -4.402 1.744 15.739 1.00 0.00 N ATOM 972 CA GLY A 68 -2.988 1.908 16.019 1.00 0.00 C ATOM 973 C GLY A 68 -2.116 1.046 15.127 1.00 0.00 C ATOM 974 O GLY A 68 -2.603 0.120 14.479 1.00 0.00 O ATOM 0 H GLY A 68 -4.618 1.427 14.794 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.714 2.955 15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.796 1.657 17.062 1.00 0.00 H new ATOM 978 N LYS A 69 -0.824 1.352 15.091 1.00 0.00 N ATOM 979 CA LYS A 69 0.119 0.600 14.272 1.00 0.00 C ATOM 980 C LYS A 69 0.182 -0.858 14.716 1.00 0.00 C ATOM 981 O LYS A 69 0.072 -1.771 13.897 1.00 0.00 O ATOM 982 CB LYS A 69 1.511 1.229 14.352 1.00 0.00 C ATOM 983 CG LYS A 69 1.584 2.624 13.757 1.00 0.00 C ATOM 984 CD LYS A 69 3.014 3.135 13.705 1.00 0.00 C ATOM 985 CE LYS A 69 3.726 2.671 12.444 1.00 0.00 C ATOM 986 NZ LYS A 69 4.402 1.358 12.640 1.00 0.00 N ATOM 0 H LYS A 69 -0.405 2.117 15.620 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.228 0.633 13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.821 1.272 15.396 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.222 0.585 13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.164 2.614 12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.975 3.306 14.350 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.014 4.224 13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.559 2.785 14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.006 2.591 11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.462 3.418 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.339 1.380 12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.510 1.172 13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.829 0.605 12.209 1.00 0.00 H new ATOM 1000 N ASP A 70 0.358 -1.069 16.015 1.00 0.00 N ATOM 1001 CA ASP A 70 0.433 -2.417 16.568 1.00 0.00 C ATOM 1002 C ASP A 70 -0.951 -2.918 16.969 1.00 0.00 C ATOM 1003 O ASP A 70 -1.140 -3.438 18.067 1.00 0.00 O ATOM 1004 CB ASP A 70 1.369 -2.444 17.777 1.00 0.00 C ATOM 1005 CG ASP A 70 2.607 -1.595 17.570 1.00 0.00 C ATOM 1006 OD1 ASP A 70 3.582 -2.103 16.977 1.00 0.00 O ATOM 1007 OD2 ASP A 70 2.602 -0.423 18.001 1.00 0.00 O ATOM 0 H ASP A 70 0.452 -0.324 16.706 1.00 0.00 H new ATOM 0 HA ASP A 70 0.829 -3.078 15.797 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.832 -2.089 18.657 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.667 -3.473 17.979 1.00 0.00 H new ATOM 1012 N GLY A 71 -1.917 -2.755 16.069 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.272 -3.194 16.348 1.00 0.00 C ATOM 1014 C GLY A 71 -3.781 -4.190 15.325 1.00 0.00 C ATOM 1015 O GLY A 71 -3.107 -5.172 15.014 1.00 0.00 O ATOM 0 H GLY A 71 -1.785 -2.327 15.153 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.307 -3.646 17.339 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.934 -2.328 16.368 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.975 -3.938 14.800 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.576 -4.820 13.806 1.00 0.00 C ATOM 1021 C LYS A 72 -5.689 -4.120 12.456 1.00 0.00 C ATOM 1022 O LYS A 72 -6.274 -3.041 12.352 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.959 -5.280 14.272 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.643 -6.227 13.301 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.109 -7.644 13.434 1.00 0.00 C ATOM 1026 CE LYS A 72 -7.714 -8.358 14.633 1.00 0.00 C ATOM 1027 NZ LYS A 72 -9.162 -8.645 14.435 1.00 0.00 N ATOM 0 H LYS A 72 -5.546 -3.130 15.046 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.930 -5.691 13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.862 -5.772 15.240 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.593 -4.406 14.421 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.718 -6.224 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.492 -5.875 12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.331 -8.204 12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.024 -7.617 13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.179 -9.292 14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.584 -7.745 15.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.462 -9.391 15.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.715 -7.782 14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.322 -8.963 13.458 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.128 -4.740 11.424 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.166 -4.175 10.080 1.00 0.00 C ATOM 1043 C TYR A 73 -6.230 -4.864 9.230 1.00 0.00 C ATOM 1044 O TYR A 73 -6.465 -6.065 9.360 1.00 0.00 O ATOM 1045 CB TYR A 73 -3.798 -4.307 9.410 1.00 0.00 C ATOM 1046 CG TYR A 73 -2.884 -3.129 9.663 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.921 -2.008 8.844 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -1.983 -3.138 10.721 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -2.087 -0.930 9.071 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.147 -2.064 10.956 1.00 0.00 C ATOM 1051 CZ TYR A 73 -1.202 -0.963 10.128 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.371 0.110 10.358 1.00 0.00 O ATOM 0 H TYR A 73 -4.641 -5.634 11.492 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.421 -3.119 10.164 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.314 -5.216 9.768 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.939 -4.423 8.335 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.613 -1.978 8.016 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.936 -4.000 11.371 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.128 -0.066 8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.454 -2.087 11.784 1.00 0.00 H new ATOM 0 HH TYR A 73 0.190 -0.072 11.141 1.00 0.00 H new ATOM 1062 N LYS A 74 -6.870 -4.093 8.357 1.00 0.00 N ATOM 1063 CA LYS A 74 -7.907 -4.626 7.482 1.00 0.00 C ATOM 1064 C LYS A 74 -7.630 -4.264 6.026 1.00 0.00 C ATOM 1065 O LYS A 74 -6.813 -3.389 5.739 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.279 -4.091 7.899 1.00 0.00 C ATOM 1067 CG LYS A 74 -9.653 -2.782 7.224 1.00 0.00 C ATOM 1068 CD LYS A 74 -10.811 -2.100 7.933 1.00 0.00 C ATOM 1069 CE LYS A 74 -10.324 -1.200 9.058 1.00 0.00 C ATOM 1070 NZ LYS A 74 -11.353 -1.035 10.121 1.00 0.00 N ATOM 0 H LYS A 74 -6.688 -3.097 8.237 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.903 -5.712 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.037 -4.839 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.291 -3.949 8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.789 -2.117 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.922 -2.971 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.382 -1.511 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.487 -2.854 8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.417 -1.620 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.060 -0.223 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.983 -0.415 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.210 -0.610 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.586 -1.964 10.525 1.00 0.00 H new ATOM 1084 N SER A 75 -8.317 -4.942 5.112 1.00 0.00 N ATOM 1085 CA SER A 75 -8.142 -4.693 3.685 1.00 0.00 C ATOM 1086 C SER A 75 -9.271 -3.821 3.144 1.00 0.00 C ATOM 1087 O SER A 75 -10.438 -4.212 3.166 1.00 0.00 O ATOM 1088 CB SER A 75 -8.091 -6.015 2.918 1.00 0.00 C ATOM 1089 OG SER A 75 -7.191 -6.924 3.528 1.00 0.00 O ATOM 0 H SER A 75 -8.999 -5.667 5.333 1.00 0.00 H new ATOM 0 HA SER A 75 -7.199 -4.164 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.087 -6.455 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.784 -5.830 1.889 1.00 0.00 H new ATOM 0 HG SER A 75 -6.891 -7.581 2.866 1.00 0.00 H new ATOM 1095 N VAL A 76 -8.914 -2.636 2.658 1.00 0.00 N ATOM 1096 CA VAL A 76 -9.896 -1.708 2.110 1.00 0.00 C ATOM 1097 C VAL A 76 -9.988 -1.838 0.593 1.00 0.00 C ATOM 1098 O VAL A 76 -11.080 -1.833 0.024 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.552 -0.250 2.469 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.538 -0.061 3.979 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.215 0.147 1.862 1.00 0.00 C ATOM 0 H VAL A 76 -7.953 -2.296 2.633 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.858 -1.966 2.553 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.322 0.400 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.293 0.975 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.520 -0.303 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.791 -0.720 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.988 1.180 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.432 -0.506 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.265 0.052 0.777 1.00 0.00 H new ATOM 1111 N TYR A 77 -8.835 -1.954 -0.056 1.00 0.00 N ATOM 1112 CA TYR A 77 -8.784 -2.083 -1.507 1.00 0.00 C ATOM 1113 C TYR A 77 -7.825 -3.195 -1.922 1.00 0.00 C ATOM 1114 O TYR A 77 -6.862 -3.496 -1.216 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.354 -0.760 -2.143 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.015 -0.877 -3.612 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -6.818 -1.448 -4.026 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -8.892 -0.417 -4.586 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.504 -1.555 -5.367 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.587 -0.522 -5.929 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.392 -1.091 -6.315 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.083 -1.198 -7.651 1.00 0.00 O ATOM 0 H TYR A 77 -7.923 -1.961 0.400 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.783 -2.340 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.154 -0.030 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.486 -0.374 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.121 -1.814 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.829 0.031 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.568 -2.000 -5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.281 -0.160 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.170 -0.320 -8.078 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.097 -3.803 -3.073 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.258 -4.880 -3.585 1.00 0.00 C ATOM 1134 C VAL A 78 -7.363 -4.984 -5.102 1.00 0.00 C ATOM 1135 O VAL A 78 -8.391 -5.396 -5.637 1.00 0.00 O ATOM 1136 CB VAL A 78 -7.643 -6.235 -2.960 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -6.955 -7.376 -3.695 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -7.295 -6.257 -1.480 1.00 0.00 C ATOM 0 H VAL A 78 -8.891 -3.568 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.231 -4.640 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.720 -6.368 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.238 -8.325 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.259 -7.370 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.874 -7.251 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.574 -7.221 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.223 -6.102 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.838 -5.464 -0.967 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.290 -4.608 -5.791 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.281 -4.666 -7.241 1.00 0.00 C ATOM 1150 C GLY A 79 -4.892 -4.898 -7.803 1.00 0.00 C ATOM 1151 O GLY A 79 -3.989 -5.326 -7.086 1.00 0.00 O ATOM 0 H GLY A 79 -5.427 -4.264 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.943 -5.466 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.681 -3.734 -7.641 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.722 -4.615 -9.091 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.433 -4.798 -9.749 1.00 0.00 C ATOM 1157 C GLU A 80 -2.741 -3.457 -9.971 1.00 0.00 C ATOM 1158 O GLU A 80 -1.524 -3.344 -9.827 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.617 -5.518 -11.087 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.151 -6.934 -10.948 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.547 -6.975 -10.358 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.513 -6.711 -11.103 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.673 -7.272 -9.152 1.00 0.00 O ATOM 0 H GLU A 80 -5.460 -4.259 -9.699 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.805 -5.408 -9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.300 -4.941 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.660 -5.549 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.160 -7.413 -11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.477 -7.512 -10.317 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.526 -2.443 -10.324 1.00 0.00 N ATOM 1171 CA GLU A 81 -2.988 -1.110 -10.567 1.00 0.00 C ATOM 1172 C GLU A 81 -2.252 -0.587 -9.337 1.00 0.00 C ATOM 1173 O GLU A 81 -2.631 -0.877 -8.202 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.111 -0.145 -10.952 1.00 0.00 C ATOM 1175 CG GLU A 81 -4.954 0.309 -9.772 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.216 1.031 -10.200 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -6.224 1.604 -11.310 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -7.196 1.024 -9.426 1.00 0.00 O ATOM 0 H GLU A 81 -4.536 -2.520 -10.448 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.278 -1.178 -11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.677 0.730 -11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.757 -0.627 -11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.223 -0.557 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.360 0.968 -9.138 1.00 0.00 H new ATOM 1185 N THR A 82 -1.195 0.185 -9.570 1.00 0.00 N ATOM 1186 CA THR A 82 -0.404 0.748 -8.483 1.00 0.00 C ATOM 1187 C THR A 82 -1.158 1.870 -7.778 1.00 0.00 C ATOM 1188 O THR A 82 -1.286 1.871 -6.555 1.00 0.00 O ATOM 1189 CB THR A 82 0.944 1.291 -8.992 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.741 2.087 -10.165 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.903 0.152 -9.307 1.00 0.00 C ATOM 0 H THR A 82 -0.867 0.435 -10.503 1.00 0.00 H new ATOM 0 HA THR A 82 -0.218 -0.061 -7.776 1.00 0.00 H new ATOM 0 HB THR A 82 1.381 1.907 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.603 2.430 -10.481 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.848 0.561 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.079 -0.435 -8.406 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.469 -0.487 -10.077 1.00 0.00 H new ATOM 1199 N ASN A 83 -1.655 2.824 -8.559 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.397 3.952 -8.008 1.00 0.00 C ATOM 1201 C ASN A 83 -3.872 3.602 -7.837 1.00 0.00 C ATOM 1202 O ASN A 83 -4.532 3.171 -8.783 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.253 5.175 -8.916 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.458 6.094 -8.843 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.471 5.861 -9.502 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.351 7.146 -8.039 1.00 0.00 N ATOM 0 H ASN A 83 -1.557 2.838 -9.574 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.982 4.184 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.358 5.730 -8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.113 4.845 -9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.128 7.800 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.492 7.299 -7.512 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.382 3.792 -6.625 1.00 0.00 N ATOM 1214 CA ILE A 84 -5.779 3.498 -6.330 1.00 0.00 C ATOM 1215 C ILE A 84 -6.361 4.514 -5.354 1.00 0.00 C ATOM 1216 O ILE A 84 -5.626 5.262 -4.707 1.00 0.00 O ATOM 1217 CB ILE A 84 -5.945 2.084 -5.742 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.561 2.076 -4.261 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.102 1.085 -6.519 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.710 2.411 -3.336 1.00 0.00 C ATOM 0 H ILE A 84 -3.849 4.148 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.319 3.555 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.991 1.791 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.171 1.092 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.755 2.792 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.230 0.091 -6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.419 1.075 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.052 1.372 -6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.364 2.386 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.086 3.407 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.509 1.681 -3.469 1.00 0.00 H new ATOM 1232 N THR A 85 -7.686 4.536 -5.250 1.00 0.00 N ATOM 1233 CA THR A 85 -8.367 5.460 -4.352 1.00 0.00 C ATOM 1234 C THR A 85 -9.027 4.717 -3.196 1.00 0.00 C ATOM 1235 O THR A 85 -9.779 3.764 -3.405 1.00 0.00 O ATOM 1236 CB THR A 85 -9.436 6.281 -5.096 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.817 7.104 -6.091 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.222 7.152 -4.127 1.00 0.00 C ATOM 0 H THR A 85 -8.309 3.924 -5.777 1.00 0.00 H new ATOM 0 HA THR A 85 -7.608 6.137 -3.960 1.00 0.00 H new ATOM 0 HB THR A 85 -10.126 5.587 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.504 7.622 -6.561 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.971 7.722 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.716 6.520 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.543 7.838 -3.621 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.743 5.158 -1.976 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.310 4.535 -0.785 1.00 0.00 C ATOM 1248 C LEU A 86 -10.729 5.035 -0.532 1.00 0.00 C ATOM 1249 O LEU A 86 -11.106 6.115 -0.983 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.431 4.822 0.433 1.00 0.00 C ATOM 1251 CG LEU A 86 -6.974 4.369 0.332 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.204 4.764 1.582 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -6.897 2.866 0.108 1.00 0.00 C ATOM 0 H LEU A 86 -8.123 5.945 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.348 3.458 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.444 5.896 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.881 4.341 1.302 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.517 4.867 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.169 4.433 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.230 5.848 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.660 4.295 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.853 2.562 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.371 2.349 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.412 2.609 -0.818 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.510 4.242 0.195 1.00 0.00 N ATOM 1266 CA ASN A 87 -12.887 4.605 0.509 1.00 0.00 C ATOM 1267 C ASN A 87 -13.315 4.006 1.845 1.00 0.00 C ATOM 1268 O ASN A 87 -12.596 3.200 2.435 1.00 0.00 O ATOM 1269 CB ASN A 87 -13.828 4.131 -0.600 1.00 0.00 C ATOM 1270 CG ASN A 87 -14.008 5.171 -1.689 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -15.011 5.884 -1.722 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -13.034 5.261 -2.587 1.00 0.00 N ATOM 0 H ASN A 87 -11.213 3.344 0.577 1.00 0.00 H new ATOM 0 HA ASN A 87 -12.942 5.691 0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -13.435 3.214 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.799 3.888 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.099 5.942 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.221 4.649 -2.520 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.492 4.406 2.316 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.018 3.908 3.582 1.00 0.00 C ATOM 1281 C ASP A 88 -14.116 4.314 4.743 1.00 0.00 C ATOM 1282 O ASP A 88 -13.945 3.562 5.704 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.157 2.385 3.537 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.189 1.928 2.525 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -17.319 2.461 2.547 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -15.867 1.039 1.710 1.00 0.00 O ATOM 0 H ASP A 88 -15.099 5.073 1.840 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.002 4.351 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.192 1.942 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.435 2.019 4.525 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.539 5.507 4.648 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.653 6.014 5.690 1.00 0.00 C ATOM 1293 C LEU A 89 -13.348 7.088 6.521 1.00 0.00 C ATOM 1294 O LEU A 89 -14.392 7.611 6.132 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.375 6.581 5.069 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.680 5.694 4.036 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.524 6.437 3.385 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.191 4.406 4.683 1.00 0.00 C ATOM 0 H LEU A 89 -13.669 6.141 3.860 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.393 5.184 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.616 7.534 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.668 6.792 5.871 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.402 5.437 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.042 5.790 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.900 7.331 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.800 6.724 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.699 3.786 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.484 4.644 5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.039 3.864 5.101 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.760 7.415 7.667 1.00 0.00 N ATOM 1311 CA LYS A 90 -13.320 8.429 8.553 1.00 0.00 C ATOM 1312 C LYS A 90 -12.559 9.744 8.423 1.00 0.00 C ATOM 1313 O LYS A 90 -11.335 9.796 8.548 1.00 0.00 O ATOM 1314 CB LYS A 90 -13.280 7.946 10.004 1.00 0.00 C ATOM 1315 CG LYS A 90 -14.396 8.513 10.865 1.00 0.00 C ATOM 1316 CD LYS A 90 -14.038 8.472 12.341 1.00 0.00 C ATOM 1317 CE LYS A 90 -13.314 9.738 12.773 1.00 0.00 C ATOM 1318 NZ LYS A 90 -13.248 9.860 14.256 1.00 0.00 N ATOM 0 H LYS A 90 -11.895 6.992 8.004 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.357 8.598 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.339 6.858 10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.320 8.218 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.599 9.542 10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.311 7.946 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.945 8.350 12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.408 7.605 12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.304 9.737 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.825 10.608 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.747 10.735 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.212 9.887 14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.739 9.043 14.649 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.298 10.834 8.167 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.713 12.170 8.017 1.00 0.00 C ATOM 1334 C PRO A 91 -12.180 12.721 9.335 1.00 0.00 C ATOM 1335 O PRO A 91 -12.638 12.335 10.410 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.887 13.017 7.519 1.00 0.00 C ATOM 1337 CG PRO A 91 -15.101 12.311 8.015 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.761 10.846 8.005 1.00 0.00 C ATOM 0 HA PRO A 91 -11.856 12.166 7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.834 14.034 7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.889 13.091 6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.363 12.644 9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.960 12.517 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.259 10.312 8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.066 10.369 7.074 1.00 0.00 H new ATOM 1346 N ALA A 92 -11.209 13.624 9.244 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.616 14.230 10.430 1.00 0.00 C ATOM 1348 C ALA A 92 -9.987 13.172 11.330 1.00 0.00 C ATOM 1349 O ALA A 92 -10.149 13.205 12.550 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.663 15.024 11.197 1.00 0.00 C ATOM 0 H ALA A 92 -10.816 13.952 8.362 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.828 14.909 10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.206 15.471 12.080 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.063 15.811 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.471 14.360 11.503 1.00 0.00 H new ATOM 1356 N MET A 93 -9.269 12.234 10.721 1.00 0.00 N ATOM 1357 CA MET A 93 -8.615 11.166 11.468 1.00 0.00 C ATOM 1358 C MET A 93 -7.211 10.908 10.932 1.00 0.00 C ATOM 1359 O MET A 93 -6.885 11.292 9.808 1.00 0.00 O ATOM 1360 CB MET A 93 -9.445 9.883 11.398 1.00 0.00 C ATOM 1361 CG MET A 93 -9.082 8.865 12.467 1.00 0.00 C ATOM 1362 SD MET A 93 -10.266 7.509 12.565 1.00 0.00 S ATOM 1363 CE MET A 93 -10.026 6.733 10.969 1.00 0.00 C ATOM 0 H MET A 93 -9.125 12.192 9.712 1.00 0.00 H new ATOM 0 HA MET A 93 -8.535 11.481 12.508 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.501 10.137 11.494 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.314 9.429 10.416 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.091 8.462 12.258 1.00 0.00 H new ATOM 0 HG3 MET A 93 -9.026 9.364 13.434 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.763 5.941 10.835 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.145 7.477 10.181 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.024 6.308 10.918 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.384 10.256 11.741 1.00 0.00 N ATOM 1374 CA ASP A 94 -5.015 9.945 11.346 1.00 0.00 C ATOM 1375 C ASP A 94 -4.701 8.472 11.586 1.00 0.00 C ATOM 1376 O ASP A 94 -4.661 8.013 12.727 1.00 0.00 O ATOM 1377 CB ASP A 94 -4.028 10.822 12.119 1.00 0.00 C ATOM 1378 CG ASP A 94 -4.596 12.190 12.440 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -5.424 12.286 13.370 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -4.213 13.165 11.761 1.00 0.00 O ATOM 0 H ASP A 94 -6.637 9.932 12.675 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.915 10.150 10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.750 10.321 13.046 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.116 10.939 11.534 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.480 7.736 10.502 1.00 0.00 N ATOM 1386 CA TYR A 95 -4.173 6.314 10.594 1.00 0.00 C ATOM 1387 C TYR A 95 -3.030 5.941 9.655 1.00 0.00 C ATOM 1388 O TYR A 95 -2.712 6.679 8.721 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.412 5.481 10.262 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.303 6.111 9.215 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -7.018 7.270 9.489 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.429 5.547 7.952 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.833 7.849 8.536 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.241 6.120 6.991 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.941 7.270 7.289 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.751 7.844 6.336 1.00 0.00 O ATOM 0 H TYR A 95 -4.508 8.101 9.550 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.863 6.101 11.617 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.096 4.498 9.914 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.990 5.326 11.173 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.935 7.726 10.464 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.883 4.645 7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.382 8.750 8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.327 5.670 6.013 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.506 8.290 6.774 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.415 4.790 9.909 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.308 4.317 9.086 1.00 0.00 C ATOM 1408 C HIS A 96 -1.817 3.468 7.925 1.00 0.00 C ATOM 1409 O HIS A 96 -2.823 2.771 8.048 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.325 3.507 9.932 1.00 0.00 C ATOM 1411 CG HIS A 96 0.056 4.180 11.215 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.837 4.405 12.242 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.243 4.677 11.635 1.00 0.00 C ATOM 1414 CE1 HIS A 96 -0.216 5.012 13.237 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.048 5.188 12.895 1.00 0.00 N ATOM 0 H HIS A 96 -2.665 4.168 10.678 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.794 5.187 8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.766 2.536 10.157 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.576 3.320 9.348 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.171 4.673 11.082 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.665 5.313 14.172 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.763 5.631 13.472 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.115 3.533 6.798 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.496 2.770 5.616 1.00 0.00 C ATOM 1426 C ALA A 97 -0.283 2.096 4.984 1.00 0.00 C ATOM 1427 O ALA A 97 0.813 2.656 4.967 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.188 3.673 4.605 1.00 0.00 C ATOM 0 H ALA A 97 -0.280 4.106 6.679 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.192 1.990 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.467 3.090 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.083 4.103 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.510 4.473 4.308 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.486 0.890 4.464 1.00 0.00 N ATOM 1435 CA LYS A 98 0.590 0.139 3.830 1.00 0.00 C ATOM 1436 C LYS A 98 0.102 -0.540 2.554 1.00 0.00 C ATOM 1437 O LYS A 98 -1.085 -0.493 2.229 1.00 0.00 O ATOM 1438 CB LYS A 98 1.147 -0.909 4.796 1.00 0.00 C ATOM 1439 CG LYS A 98 1.190 -0.442 6.241 1.00 0.00 C ATOM 1440 CD LYS A 98 1.462 -1.595 7.192 1.00 0.00 C ATOM 1441 CE LYS A 98 1.990 -1.102 8.530 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.036 -2.191 9.545 1.00 0.00 N ATOM 0 H LYS A 98 -1.387 0.412 4.470 1.00 0.00 H new ATOM 0 HA LYS A 98 1.382 0.840 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.537 -1.810 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.154 -1.182 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.964 0.316 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.242 0.029 6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.545 -2.163 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.185 -2.275 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.990 -0.689 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.357 -0.293 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.800 -2.000 10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.127 -2.235 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.213 -3.100 9.071 1.00 0.00 H new ATOM 1456 N VAL A 99 1.024 -1.173 1.836 1.00 0.00 N ATOM 1457 CA VAL A 99 0.686 -1.864 0.597 1.00 0.00 C ATOM 1458 C VAL A 99 1.446 -3.180 0.477 1.00 0.00 C ATOM 1459 O VAL A 99 2.677 -3.198 0.465 1.00 0.00 O ATOM 1460 CB VAL A 99 0.994 -0.992 -0.634 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.477 -1.045 -0.969 1.00 0.00 C ATOM 1462 CG2 VAL A 99 0.155 -1.434 -1.824 1.00 0.00 C ATOM 0 H VAL A 99 2.010 -1.222 2.091 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.384 -2.068 0.630 1.00 0.00 H new ATOM 0 HB VAL A 99 0.735 0.041 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.675 -0.423 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.055 -0.676 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.765 -2.074 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.386 -0.807 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.380 -2.474 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.903 -1.339 -1.579 1.00 0.00 H new ATOM 1472 N GLN A 100 0.705 -4.280 0.388 1.00 0.00 N ATOM 1473 CA GLN A 100 1.310 -5.601 0.269 1.00 0.00 C ATOM 1474 C GLN A 100 1.012 -6.215 -1.095 1.00 0.00 C ATOM 1475 O GLN A 100 -0.138 -6.252 -1.533 1.00 0.00 O ATOM 1476 CB GLN A 100 0.798 -6.521 1.378 1.00 0.00 C ATOM 1477 CG GLN A 100 1.349 -7.936 1.298 1.00 0.00 C ATOM 1478 CD GLN A 100 0.475 -8.944 2.016 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.729 -8.739 2.173 1.00 0.00 O ATOM 1480 NE2 GLN A 100 1.077 -10.042 2.458 1.00 0.00 N ATOM 0 H GLN A 100 -0.315 -4.282 0.396 1.00 0.00 H new ATOM 0 HA GLN A 100 2.390 -5.489 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.061 -6.092 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.290 -6.561 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.446 -8.225 0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.350 -7.957 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.077 -10.171 2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.539 -10.756 2.949 1.00 0.00 H new ATOM 1489 N ALA A 101 2.056 -6.696 -1.763 1.00 0.00 N ATOM 1490 CA ALA A 101 1.905 -7.310 -3.076 1.00 0.00 C ATOM 1491 C ALA A 101 1.688 -8.815 -2.957 1.00 0.00 C ATOM 1492 O ALA A 101 2.225 -9.459 -2.056 1.00 0.00 O ATOM 1493 CB ALA A 101 3.124 -7.017 -3.938 1.00 0.00 C ATOM 0 H ALA A 101 3.015 -6.672 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 101 1.024 -6.879 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.998 -7.481 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.233 -5.939 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.015 -7.420 -3.457 1.00 0.00 H new ATOM 1499 N GLU A 102 0.898 -9.368 -3.872 1.00 0.00 N ATOM 1500 CA GLU A 102 0.610 -10.798 -3.867 1.00 0.00 C ATOM 1501 C GLU A 102 0.478 -11.331 -5.290 1.00 0.00 C ATOM 1502 O GLU A 102 -0.177 -10.720 -6.135 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.674 -11.079 -3.084 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.190 -12.499 -3.249 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.624 -12.657 -2.785 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.440 -11.751 -3.062 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.932 -13.684 -2.146 1.00 0.00 O ATOM 0 H GLU A 102 0.447 -8.849 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 102 1.442 -11.309 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.494 -10.888 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.446 -10.381 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.118 -12.788 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.553 -13.181 -2.686 1.00 0.00 H new ATOM 1514 N TYR A 103 1.104 -12.474 -5.548 1.00 0.00 N ATOM 1515 CA TYR A 103 1.060 -13.088 -6.870 1.00 0.00 C ATOM 1516 C TYR A 103 1.121 -14.609 -6.765 1.00 0.00 C ATOM 1517 O TYR A 103 1.828 -15.157 -5.920 1.00 0.00 O ATOM 1518 CB TYR A 103 2.216 -12.579 -7.731 1.00 0.00 C ATOM 1519 CG TYR A 103 1.952 -12.674 -9.217 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.916 -13.906 -9.859 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.737 -11.532 -9.979 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.676 -13.998 -11.216 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.495 -11.615 -11.337 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.466 -12.850 -11.951 1.00 0.00 C ATOM 1525 OH TYR A 103 1.224 -12.937 -13.303 1.00 0.00 O ATOM 0 H TYR A 103 1.648 -12.994 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 103 0.117 -12.811 -7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.420 -11.540 -7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.114 -13.149 -7.493 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.079 -14.807 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.759 -10.563 -9.502 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.653 -14.964 -11.699 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.329 -10.718 -11.915 1.00 0.00 H new ATOM 0 HH TYR A 103 1.096 -12.038 -13.671 1.00 0.00 H new ATOM 1535 N ASN A 104 0.374 -15.286 -7.632 1.00 0.00 N ATOM 1536 CA ASN A 104 0.342 -16.744 -7.638 1.00 0.00 C ATOM 1537 C ASN A 104 -0.018 -17.286 -6.259 1.00 0.00 C ATOM 1538 O ASN A 104 0.529 -18.296 -5.815 1.00 0.00 O ATOM 1539 CB ASN A 104 1.696 -17.302 -8.081 1.00 0.00 C ATOM 1540 CG ASN A 104 1.665 -18.806 -8.277 1.00 0.00 C ATOM 1541 OD1 ASN A 104 0.630 -19.377 -8.621 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.803 -19.454 -8.058 1.00 0.00 N ATOM 0 H ASN A 104 -0.217 -14.848 -8.339 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.424 -17.063 -8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.996 -16.823 -9.013 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.451 -17.051 -7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.844 -20.467 -8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.637 -18.939 -7.774 1.00 0.00 H new ATOM 1549 N SER A 105 -0.943 -16.609 -5.586 1.00 0.00 N ATOM 1550 CA SER A 105 -1.375 -17.021 -4.255 1.00 0.00 C ATOM 1551 C SER A 105 -0.215 -16.964 -3.266 1.00 0.00 C ATOM 1552 O SER A 105 -0.166 -17.733 -2.305 1.00 0.00 O ATOM 1553 CB SER A 105 -1.954 -18.436 -4.299 1.00 0.00 C ATOM 1554 OG SER A 105 -3.303 -18.422 -4.735 1.00 0.00 O ATOM 0 H SER A 105 -1.408 -15.773 -5.940 1.00 0.00 H new ATOM 0 HA SER A 105 -2.149 -16.330 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.358 -19.055 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.893 -18.888 -3.309 1.00 0.00 H new ATOM 0 HG SER A 105 -3.649 -19.338 -4.756 1.00 0.00 H new ATOM 1560 N ILE A 106 0.717 -16.049 -3.508 1.00 0.00 N ATOM 1561 CA ILE A 106 1.876 -15.891 -2.639 1.00 0.00 C ATOM 1562 C ILE A 106 1.877 -14.522 -1.967 1.00 0.00 C ATOM 1563 O ILE A 106 2.056 -13.495 -2.622 1.00 0.00 O ATOM 1564 CB ILE A 106 3.193 -16.068 -3.418 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.216 -17.426 -4.122 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.385 -15.929 -2.483 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.270 -17.530 -5.201 1.00 0.00 C ATOM 0 H ILE A 106 0.692 -15.406 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 106 1.807 -16.668 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 106 3.258 -15.287 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.388 -18.207 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.237 -17.614 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.308 -16.057 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.374 -14.940 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.328 -16.690 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.228 -18.519 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.087 -16.772 -5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.256 -17.374 -4.763 1.00 0.00 H new ATOM 1579 N LYS A 107 1.676 -14.514 -0.653 1.00 0.00 N ATOM 1580 CA LYS A 107 1.656 -13.272 0.111 1.00 0.00 C ATOM 1581 C LYS A 107 3.021 -12.994 0.732 1.00 0.00 C ATOM 1582 O LYS A 107 3.594 -13.849 1.406 1.00 0.00 O ATOM 1583 CB LYS A 107 0.590 -13.340 1.206 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.827 -13.453 0.670 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.850 -13.450 1.793 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.258 -13.222 1.264 1.00 0.00 C ATOM 1587 NZ LYS A 107 -4.265 -13.196 2.361 1.00 0.00 N ATOM 0 H LYS A 107 1.525 -15.354 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 107 1.414 -12.458 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.796 -14.196 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.664 -12.449 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.028 -12.624 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.925 -14.370 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.810 -14.400 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.600 -12.670 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.292 -12.280 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.512 -14.011 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.211 -13.038 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.250 -14.104 2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.037 -12.427 3.023 1.00 0.00 H new ATOM 1601 N GLY A 108 3.537 -11.790 0.502 1.00 0.00 N ATOM 1602 CA GLY A 108 4.830 -11.420 1.047 1.00 0.00 C ATOM 1603 C GLY A 108 4.712 -10.631 2.336 1.00 0.00 C ATOM 1604 O GLY A 108 3.958 -11.006 3.236 1.00 0.00 O ATOM 0 H GLY A 108 3.082 -11.064 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.416 -12.321 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.375 -10.829 0.311 1.00 0.00 H new ATOM 1608 N THR A 109 5.459 -9.536 2.429 1.00 0.00 N ATOM 1609 CA THR A 109 5.437 -8.694 3.618 1.00 0.00 C ATOM 1610 C THR A 109 5.019 -7.269 3.275 1.00 0.00 C ATOM 1611 O THR A 109 5.425 -6.704 2.259 1.00 0.00 O ATOM 1612 CB THR A 109 6.813 -8.661 4.309 1.00 0.00 C ATOM 1613 OG1 THR A 109 7.169 -9.974 4.756 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.803 -7.703 5.491 1.00 0.00 C ATOM 0 H THR A 109 6.087 -9.211 1.694 1.00 0.00 H new ATOM 0 HA THR A 109 4.707 -9.130 4.300 1.00 0.00 H new ATOM 0 HB THR A 109 7.549 -8.312 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.046 -9.944 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.786 -7.697 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.561 -6.699 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.055 -8.026 6.215 1.00 0.00 H new ATOM 1622 N PRO A 110 4.188 -6.670 4.142 1.00 0.00 N ATOM 1623 CA PRO A 110 3.698 -5.301 3.952 1.00 0.00 C ATOM 1624 C PRO A 110 4.798 -4.261 4.136 1.00 0.00 C ATOM 1625 O PRO A 110 5.576 -4.328 5.088 1.00 0.00 O ATOM 1626 CB PRO A 110 2.633 -5.152 5.040 1.00 0.00 C ATOM 1627 CG PRO A 110 3.030 -6.126 6.095 1.00 0.00 C ATOM 1628 CD PRO A 110 3.664 -7.283 5.373 1.00 0.00 C ATOM 0 HA PRO A 110 3.321 -5.139 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.606 -4.135 5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.638 -5.372 4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.729 -5.675 6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 110 2.164 -6.453 6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.458 -7.739 5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.939 -8.067 5.155 1.00 0.00 H new ATOM 1636 N SER A 111 4.857 -3.300 3.220 1.00 0.00 N ATOM 1637 CA SER A 111 5.864 -2.247 3.280 1.00 0.00 C ATOM 1638 C SER A 111 5.736 -1.446 4.573 1.00 0.00 C ATOM 1639 O SER A 111 4.924 -1.771 5.438 1.00 0.00 O ATOM 1640 CB SER A 111 5.731 -1.315 2.074 1.00 0.00 C ATOM 1641 OG SER A 111 4.369 -1.090 1.752 1.00 0.00 O ATOM 0 H SER A 111 4.219 -3.229 2.427 1.00 0.00 H new ATOM 0 HA SER A 111 6.847 -2.717 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.219 -0.364 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.244 -1.750 1.216 1.00 0.00 H new ATOM 0 HG SER A 111 3.955 -0.540 2.449 1.00 0.00 H new ATOM 1647 N GLU A 112 6.544 -0.398 4.694 1.00 0.00 N ATOM 1648 CA GLU A 112 6.522 0.449 5.881 1.00 0.00 C ATOM 1649 C GLU A 112 5.125 1.016 6.119 1.00 0.00 C ATOM 1650 O GLU A 112 4.177 0.674 5.413 1.00 0.00 O ATOM 1651 CB GLU A 112 7.530 1.592 5.738 1.00 0.00 C ATOM 1652 CG GLU A 112 8.946 1.206 6.131 1.00 0.00 C ATOM 1653 CD GLU A 112 9.232 1.453 7.599 1.00 0.00 C ATOM 1654 OE1 GLU A 112 8.312 1.262 8.422 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.374 1.838 7.926 1.00 0.00 O ATOM 0 H GLU A 112 7.221 -0.115 3.986 1.00 0.00 H new ATOM 0 HA GLU A 112 6.798 -0.164 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.530 1.938 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.206 2.430 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.107 0.152 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.654 1.773 5.526 1.00 0.00 H new ATOM 1662 N ALA A 113 5.007 1.883 7.119 1.00 0.00 N ATOM 1663 CA ALA A 113 3.728 2.498 7.451 1.00 0.00 C ATOM 1664 C ALA A 113 3.661 3.933 6.941 1.00 0.00 C ATOM 1665 O ALA A 113 4.587 4.717 7.146 1.00 0.00 O ATOM 1666 CB ALA A 113 3.496 2.457 8.954 1.00 0.00 C ATOM 0 H ALA A 113 5.782 2.176 7.714 1.00 0.00 H new ATOM 0 HA ALA A 113 2.940 1.928 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.537 2.920 9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.491 1.421 9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.294 3.001 9.460 1.00 0.00 H new ATOM 1672 N GLU A 114 2.560 4.270 6.277 1.00 0.00 N ATOM 1673 CA GLU A 114 2.374 5.612 5.738 1.00 0.00 C ATOM 1674 C GLU A 114 1.122 6.263 6.318 1.00 0.00 C ATOM 1675 O GLU A 114 0.008 6.013 5.855 1.00 0.00 O ATOM 1676 CB GLU A 114 2.277 5.563 4.211 1.00 0.00 C ATOM 1677 CG GLU A 114 1.894 6.893 3.583 1.00 0.00 C ATOM 1678 CD GLU A 114 2.917 7.980 3.848 1.00 0.00 C ATOM 1679 OE1 GLU A 114 3.074 8.374 5.023 1.00 0.00 O ATOM 1680 OE2 GLU A 114 3.561 8.436 2.880 1.00 0.00 O ATOM 0 H GLU A 114 1.784 3.633 6.099 1.00 0.00 H new ATOM 0 HA GLU A 114 3.238 6.213 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.236 5.241 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.541 4.811 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.779 6.762 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.926 7.208 3.971 1.00 0.00 H new ATOM 1687 N ILE A 115 1.313 7.098 7.333 1.00 0.00 N ATOM 1688 CA ILE A 115 0.200 7.786 7.976 1.00 0.00 C ATOM 1689 C ILE A 115 -0.233 9.005 7.170 1.00 0.00 C ATOM 1690 O ILE A 115 0.582 9.868 6.842 1.00 0.00 O ATOM 1691 CB ILE A 115 0.563 8.231 9.405 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.615 8.968 10.048 1.00 0.00 C ATOM 1693 CG2 ILE A 115 1.801 9.115 9.385 1.00 0.00 C ATOM 1694 CD1 ILE A 115 -0.471 9.147 11.543 1.00 0.00 C ATOM 0 H ILE A 115 2.228 7.315 7.728 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.625 7.075 8.024 1.00 0.00 H new ATOM 0 HB ILE A 115 0.782 7.345 10.002 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.719 9.947 9.581 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.533 8.418 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.045 9.422 10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.638 8.559 8.962 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.608 9.998 8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.341 9.677 11.932 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.397 8.170 12.021 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.429 9.724 11.755 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.522 9.072 6.854 1.00 0.00 N ATOM 1707 CA PHE A 116 -2.064 10.187 6.086 1.00 0.00 C ATOM 1708 C PHE A 116 -3.326 10.737 6.744 1.00 0.00 C ATOM 1709 O PHE A 116 -4.296 10.010 6.960 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.373 9.746 4.654 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.498 8.755 4.561 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.816 9.182 4.564 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -3.238 7.398 4.470 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.854 8.273 4.480 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -4.271 6.483 4.385 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.581 6.922 4.389 1.00 0.00 C ATOM 0 H PHE A 116 -2.211 8.367 7.118 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.314 10.977 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.623 10.624 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.476 9.308 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -5.035 10.237 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -2.216 7.050 4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.877 8.619 4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.054 5.427 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 116 -6.390 6.210 4.321 1.00 0.00 H new ATOM 1726 N THR A 117 -3.307 12.028 7.061 1.00 0.00 N ATOM 1727 CA THR A 117 -4.447 12.677 7.695 1.00 0.00 C ATOM 1728 C THR A 117 -5.488 13.094 6.662 1.00 0.00 C ATOM 1729 O THR A 117 -5.151 13.638 5.609 1.00 0.00 O ATOM 1730 CB THR A 117 -4.013 13.917 8.498 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.921 13.584 9.362 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.170 14.461 9.322 1.00 0.00 C ATOM 0 H THR A 117 -2.513 12.645 6.889 1.00 0.00 H new ATOM 0 HA THR A 117 -4.886 11.948 8.376 1.00 0.00 H new ATOM 0 HB THR A 117 -3.697 14.686 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.260 13.411 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.839 15.337 9.880 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.989 14.742 8.659 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.513 13.695 10.018 1.00 0.00 H new ATOM 1740 N THR A 118 -6.756 12.836 6.968 1.00 0.00 N ATOM 1741 CA THR A 118 -7.846 13.184 6.065 1.00 0.00 C ATOM 1742 C THR A 118 -8.557 14.451 6.525 1.00 0.00 C ATOM 1743 O THR A 118 -8.516 14.805 7.704 1.00 0.00 O ATOM 1744 CB THR A 118 -8.874 12.041 5.960 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.471 11.800 7.239 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.216 10.767 5.453 1.00 0.00 C ATOM 0 H THR A 118 -7.053 12.387 7.834 1.00 0.00 H new ATOM 0 HA THR A 118 -7.402 13.355 5.084 1.00 0.00 H new ATOM 0 HB THR A 118 -9.646 12.340 5.250 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.030 10.997 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.961 9.974 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.788 10.946 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.426 10.466 6.142 1.00 0.00 H new ATOM 1754 N LEU A 119 -9.208 15.131 5.588 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.930 16.361 5.897 1.00 0.00 C ATOM 1756 C LEU A 119 -11.308 16.053 6.474 1.00 0.00 C ATOM 1757 O LEU A 119 -11.692 14.891 6.603 1.00 0.00 O ATOM 1758 CB LEU A 119 -10.071 17.222 4.641 1.00 0.00 C ATOM 1759 CG LEU A 119 -10.157 16.466 3.314 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.976 17.253 2.303 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.764 16.184 2.771 1.00 0.00 C ATOM 0 H LEU A 119 -9.251 14.852 4.608 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.358 16.911 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.965 17.836 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.221 17.902 4.594 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.656 15.514 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.026 16.699 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.984 17.404 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.506 18.221 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.844 15.646 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.239 17.125 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.210 15.579 3.488 1.00 0.00 H new ATOM 1773 N SER A 120 -12.048 17.102 6.817 1.00 0.00 N ATOM 1774 CA SER A 120 -13.383 16.944 7.382 1.00 0.00 C ATOM 1775 C SER A 120 -14.444 16.976 6.286 1.00 0.00 C ATOM 1776 O SER A 120 -14.203 17.479 5.188 1.00 0.00 O ATOM 1777 CB SER A 120 -13.660 18.045 8.407 1.00 0.00 C ATOM 1778 OG SER A 120 -14.004 19.262 7.768 1.00 0.00 O ATOM 0 H SER A 120 -11.746 18.071 6.714 1.00 0.00 H new ATOM 0 HA SER A 120 -13.428 15.975 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.470 17.736 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.779 18.195 9.031 1.00 0.00 H new ATOM 0 HG SER A 120 -14.178 19.949 8.445 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.618 16.435 6.592 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.717 16.400 5.633 1.00 0.00 C ATOM 1786 C CYS A 121 -16.958 17.780 5.032 1.00 0.00 C ATOM 1787 O CYS A 121 -17.588 17.909 3.982 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.993 15.894 6.307 1.00 0.00 C ATOM 1789 SG CYS A 121 -19.276 15.360 5.151 1.00 0.00 S ATOM 0 H CYS A 121 -15.834 16.015 7.496 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.444 15.716 4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.739 15.060 6.962 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -18.395 16.685 6.940 1.00 0.00 H new ATOM 0 HG CYS A 121 -20.314 14.948 5.815 1.00 0.00 H new