USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 788 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 33 ASN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 102 CYS SG : rot 170:sc= -0.27 USER MOD Set 1.3: A 106 HIS : no HD1:sc= -0.815 K(o=-1.1,f=-1.9) USER MOD Set 2.1: A 93 GLN : amide:sc= -4.16! C(o=-3.7!,f=-7.4!) USER MOD Set 2.2: A 97 SER OG : rot 136:sc= 0.476 USER MOD Set 3.1: A 43 ASN : amide:sc= -1.04 X(o=-1,f=-1.4) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 18 THR OG1 : rot -79:sc= 0.258 USER MOD Set 4.2: A 22 THR OG1 : rot 117:sc= 0.547 USER MOD Set 5.1: A 16 LYS NZ :NH3+ 175:sc= 1.48 (180deg=1.46) USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0.89 USER MOD Single : A 15 MET CE :methyl -112:sc= -0.839 (180deg=-1.42) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.67) USER MOD Single : A 25 GLN : amide:sc= -0.0982 K(o=-0.098,f=-2.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.21! C(o=-1.2!,f=-1.2!) USER MOD Single : A 49 GLN : amide:sc= -2.81! C(o=-2.8!,f=-5.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 70 HIS : no HD1:sc= -5.69! K(o=-5.7!,f=-4.8) USER MOD Single : A 71 THR OG1 : rot -57:sc= -0.875! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0425 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.5!) USER MOD Single : A 103 THR OG1 : rot 51:sc= 1.42 USER MOD Single : A 104 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.7!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 107 THR OG1 : rot -37:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -0.906 0.258 12.454 1.00 0.00 N ATOM 82 CA ASN A 9 -0.159 -0.516 11.469 1.00 0.00 C ATOM 83 C ASN A 9 -0.586 -1.981 11.492 1.00 0.00 C ATOM 84 O ASN A 9 -0.823 -2.553 12.556 1.00 0.00 O ATOM 85 CB ASN A 9 1.343 -0.407 11.737 1.00 0.00 C ATOM 86 CG ASN A 9 1.797 1.030 11.906 1.00 0.00 C ATOM 87 OD1 ASN A 9 1.211 1.949 11.334 1.00 0.00 O ATOM 88 ND2 ASN A 9 2.846 1.230 12.695 1.00 0.00 N ATOM 0 HA ASN A 9 -0.376 -0.108 10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.591 -0.972 12.636 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.891 -0.864 10.913 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.197 2.176 12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.301 0.438 13.149 1.00 0.00 H new ATOM 95 N VAL A 10 -0.680 -2.583 10.311 1.00 0.00 N ATOM 96 CA VAL A 10 -1.075 -3.982 10.195 1.00 0.00 C ATOM 97 C VAL A 10 0.140 -4.884 10.016 1.00 0.00 C ATOM 98 O VAL A 10 1.072 -4.550 9.283 1.00 0.00 O ATOM 99 CB VAL A 10 -2.039 -4.196 9.012 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.539 -5.632 8.984 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.201 -3.218 9.088 1.00 0.00 C ATOM 0 H VAL A 10 -0.488 -2.124 9.421 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.584 -4.245 11.122 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.497 -4.008 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.218 -5.764 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.692 -6.310 8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.065 -5.852 9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.872 -3.384 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.745 -3.371 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.820 -2.197 9.054 1.00 0.00 H new ATOM 111 N TYR A 11 0.125 -6.028 10.689 1.00 0.00 N ATOM 112 CA TYR A 11 1.227 -6.979 10.606 1.00 0.00 C ATOM 113 C TYR A 11 0.734 -8.406 10.826 1.00 0.00 C ATOM 114 O TYR A 11 -0.329 -8.625 11.405 1.00 0.00 O ATOM 115 CB TYR A 11 2.303 -6.635 11.638 1.00 0.00 C ATOM 116 CG TYR A 11 1.758 -5.978 12.886 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.676 -6.524 13.566 1.00 0.00 C ATOM 118 CD2 TYR A 11 2.324 -4.811 13.384 1.00 0.00 C ATOM 119 CE1 TYR A 11 0.174 -5.927 14.706 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.829 -4.208 14.524 1.00 0.00 C ATOM 121 CZ TYR A 11 0.754 -4.770 15.181 1.00 0.00 C ATOM 122 OH TYR A 11 0.258 -4.171 16.317 1.00 0.00 O ATOM 0 H TYR A 11 -0.639 -6.320 11.299 1.00 0.00 H new ATOM 0 HA TYR A 11 1.656 -6.913 9.606 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.830 -7.547 11.918 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.036 -5.972 11.179 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.220 -7.431 13.197 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.165 -4.368 12.871 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.668 -6.364 15.222 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.281 -3.302 14.899 1.00 0.00 H new ATOM 0 HH TYR A 11 0.780 -3.366 16.517 1.00 0.00 H new ATOM 132 N GLY A 12 1.516 -9.374 10.359 1.00 0.00 N ATOM 133 CA GLY A 12 1.144 -10.768 10.514 1.00 0.00 C ATOM 134 C GLY A 12 2.112 -11.708 9.823 1.00 0.00 C ATOM 135 O GLY A 12 2.774 -11.327 8.857 1.00 0.00 O ATOM 0 H GLY A 12 2.401 -9.218 9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.100 -11.013 11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.143 -10.921 10.110 1.00 0.00 H new ATOM 139 N TYR A 13 2.198 -12.937 10.320 1.00 0.00 N ATOM 140 CA TYR A 13 3.096 -13.932 9.746 1.00 0.00 C ATOM 141 C TYR A 13 2.514 -14.516 8.463 1.00 0.00 C ATOM 142 O TYR A 13 1.608 -15.350 8.501 1.00 0.00 O ATOM 143 CB TYR A 13 3.362 -15.051 10.755 1.00 0.00 C ATOM 144 CG TYR A 13 4.510 -14.758 11.695 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.564 -13.565 12.406 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.540 -15.674 11.872 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.611 -13.294 13.265 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.590 -15.411 12.730 1.00 0.00 C ATOM 149 CZ TYR A 13 6.621 -14.220 13.425 1.00 0.00 C ATOM 150 OH TYR A 13 7.666 -13.953 14.280 1.00 0.00 O ATOM 0 H TYR A 13 1.657 -13.268 11.119 1.00 0.00 H new ATOM 0 HA TYR A 13 4.037 -13.438 9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.459 -15.223 11.340 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.572 -15.974 10.214 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.774 -12.838 12.285 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.519 -16.608 11.329 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.639 -12.361 13.809 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.382 -16.134 12.856 1.00 0.00 H new ATOM 0 HH TYR A 13 8.291 -14.708 14.278 1.00 0.00 H new ATOM 160 N LEU A 14 3.041 -14.073 7.327 1.00 0.00 N ATOM 161 CA LEU A 14 2.576 -14.552 6.030 1.00 0.00 C ATOM 162 C LEU A 14 3.595 -15.495 5.400 1.00 0.00 C ATOM 163 O LEU A 14 4.705 -15.653 5.906 1.00 0.00 O ATOM 164 CB LEU A 14 2.309 -13.372 5.094 1.00 0.00 C ATOM 165 CG LEU A 14 1.443 -12.247 5.662 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.706 -10.945 4.922 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.031 -12.618 5.585 1.00 0.00 C ATOM 0 H LEU A 14 3.791 -13.383 7.278 1.00 0.00 H new ATOM 0 HA LEU A 14 1.648 -15.102 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.267 -12.949 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.830 -13.751 4.191 1.00 0.00 H new ATOM 0 HG LEU A 14 1.707 -12.105 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.081 -10.156 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.756 -10.671 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.470 -11.073 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.632 -11.806 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.310 -12.788 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.208 -13.526 6.161 1.00 0.00 H new ATOM 179 N MET A 15 3.210 -16.119 4.290 1.00 0.00 N ATOM 180 CA MET A 15 4.093 -17.044 3.589 1.00 0.00 C ATOM 181 C MET A 15 4.564 -16.448 2.266 1.00 0.00 C ATOM 182 O MET A 15 3.803 -16.376 1.300 1.00 0.00 O ATOM 183 CB MET A 15 3.378 -18.373 3.338 1.00 0.00 C ATOM 184 CG MET A 15 2.936 -19.075 4.611 1.00 0.00 C ATOM 185 SD MET A 15 2.595 -20.827 4.356 1.00 0.00 S ATOM 186 CE MET A 15 4.257 -21.476 4.195 1.00 0.00 C ATOM 0 H MET A 15 2.294 -16.001 3.858 1.00 0.00 H new ATOM 0 HA MET A 15 4.965 -17.222 4.218 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.505 -18.194 2.710 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.042 -19.034 2.780 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.712 -18.966 5.369 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.041 -18.587 4.998 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.417 -21.818 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.978 -20.694 4.433 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.389 -22.312 4.882 1.00 0.00 H new ATOM 196 N LYS A 16 5.822 -16.023 2.228 1.00 0.00 N ATOM 197 CA LYS A 16 6.395 -15.434 1.024 1.00 0.00 C ATOM 198 C LYS A 16 7.205 -16.467 0.246 1.00 0.00 C ATOM 199 O LYS A 16 8.090 -17.121 0.799 1.00 0.00 O ATOM 200 CB LYS A 16 7.284 -14.242 1.387 1.00 0.00 C ATOM 201 CG LYS A 16 7.834 -13.504 0.179 1.00 0.00 C ATOM 202 CD LYS A 16 8.973 -12.574 0.565 1.00 0.00 C ATOM 203 CE LYS A 16 9.140 -11.450 -0.445 1.00 0.00 C ATOM 204 NZ LYS A 16 10.541 -10.947 -0.488 1.00 0.00 N ATOM 0 H LYS A 16 6.465 -16.076 3.018 1.00 0.00 H new ATOM 0 HA LYS A 16 5.576 -15.089 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.711 -13.545 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.116 -14.592 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.186 -14.224 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.037 -12.929 -0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.782 -12.153 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.900 -13.142 0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.851 -11.805 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.468 -10.631 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.633 -10.241 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.781 -10.508 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.189 -11.739 -0.672 1.00 0.00 H new ATOM 218 N TYR A 17 6.898 -16.608 -1.038 1.00 0.00 N ATOM 219 CA TYR A 17 7.596 -17.562 -1.891 1.00 0.00 C ATOM 220 C TYR A 17 9.089 -17.252 -1.946 1.00 0.00 C ATOM 221 O TYR A 17 9.570 -16.618 -2.886 1.00 0.00 O ATOM 222 CB TYR A 17 7.008 -17.542 -3.303 1.00 0.00 C ATOM 223 CG TYR A 17 7.187 -18.843 -4.052 1.00 0.00 C ATOM 224 CD1 TYR A 17 8.444 -19.260 -4.471 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.098 -19.657 -4.340 1.00 0.00 C ATOM 226 CE1 TYR A 17 8.612 -20.447 -5.156 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.256 -20.847 -5.023 1.00 0.00 C ATOM 228 CZ TYR A 17 7.515 -21.238 -5.430 1.00 0.00 C ATOM 229 OH TYR A 17 7.678 -22.422 -6.111 1.00 0.00 O ATOM 0 H TYR A 17 6.170 -16.073 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 17 7.464 -18.556 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.944 -17.311 -3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.476 -16.738 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.305 -18.645 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.111 -19.354 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.597 -20.755 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.399 -21.468 -5.237 1.00 0.00 H new ATOM 0 HH TYR A 17 6.808 -22.859 -6.221 1.00 0.00 H new ATOM 239 N THR A 18 9.819 -17.705 -0.931 1.00 0.00 N ATOM 240 CA THR A 18 11.257 -17.476 -0.862 1.00 0.00 C ATOM 241 C THR A 18 11.944 -17.907 -2.152 1.00 0.00 C ATOM 242 O THR A 18 12.563 -17.093 -2.838 1.00 0.00 O ATOM 243 CB THR A 18 11.889 -18.234 0.321 1.00 0.00 C ATOM 244 OG1 THR A 18 11.173 -19.450 0.563 1.00 0.00 O ATOM 245 CG2 THR A 18 11.883 -17.377 1.578 1.00 0.00 C ATOM 0 H THR A 18 9.438 -18.233 -0.146 1.00 0.00 H new ATOM 0 HA THR A 18 11.401 -16.405 -0.717 1.00 0.00 H new ATOM 0 HB THR A 18 12.922 -18.467 0.064 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.352 -19.253 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.334 -17.933 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.454 -16.466 1.400 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.856 -17.117 1.836 1.00 0.00 H new ATOM 253 N ASN A 19 11.832 -19.190 -2.478 1.00 0.00 N ATOM 254 CA ASN A 19 12.443 -19.728 -3.688 1.00 0.00 C ATOM 255 C ASN A 19 11.694 -20.966 -4.172 1.00 0.00 C ATOM 256 O ASN A 19 10.670 -21.347 -3.604 1.00 0.00 O ATOM 257 CB ASN A 19 13.911 -20.074 -3.432 1.00 0.00 C ATOM 258 CG ASN A 19 14.798 -18.844 -3.396 1.00 0.00 C ATOM 259 OD1 ASN A 19 15.165 -18.361 -2.324 1.00 0.00 O ATOM 260 ND2 ASN A 19 15.145 -18.331 -4.570 1.00 0.00 N ATOM 0 H ASN A 19 11.324 -19.877 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 19 12.386 -18.965 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.996 -20.607 -2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.263 -20.750 -4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.739 -17.503 -4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.817 -18.765 -5.433 1.00 0.00 H new ATOM 267 N LEU A 20 12.213 -21.591 -5.223 1.00 0.00 N ATOM 268 CA LEU A 20 11.595 -22.788 -5.784 1.00 0.00 C ATOM 269 C LEU A 20 11.694 -23.959 -4.812 1.00 0.00 C ATOM 270 O LEU A 20 10.680 -24.509 -4.381 1.00 0.00 O ATOM 271 CB LEU A 20 12.259 -23.155 -7.112 1.00 0.00 C ATOM 272 CG LEU A 20 11.483 -24.121 -8.006 1.00 0.00 C ATOM 273 CD1 LEU A 20 11.759 -23.831 -9.473 1.00 0.00 C ATOM 274 CD2 LEU A 20 11.839 -25.562 -7.670 1.00 0.00 C ATOM 0 H LEU A 20 13.060 -21.289 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 20 10.541 -22.574 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.437 -22.237 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.234 -23.593 -6.899 1.00 0.00 H new ATOM 0 HG LEU A 20 10.418 -23.978 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.198 -24.529 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.453 -22.811 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.825 -23.945 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.277 -26.236 -8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.907 -25.718 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.589 -25.765 -6.629 1.00 0.00 H new ATOM 286 N VAL A 21 12.922 -24.333 -4.468 1.00 0.00 N ATOM 287 CA VAL A 21 13.154 -25.437 -3.543 1.00 0.00 C ATOM 288 C VAL A 21 12.422 -25.212 -2.225 1.00 0.00 C ATOM 289 O VAL A 21 11.668 -26.071 -1.766 1.00 0.00 O ATOM 290 CB VAL A 21 14.656 -25.624 -3.259 1.00 0.00 C ATOM 291 CG1 VAL A 21 15.263 -24.336 -2.724 1.00 0.00 C ATOM 292 CG2 VAL A 21 14.874 -26.771 -2.283 1.00 0.00 C ATOM 0 H VAL A 21 13.772 -23.888 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 21 12.767 -26.337 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 21 15.157 -25.872 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.325 -24.488 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.139 -23.542 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.761 -24.054 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.941 -26.890 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.361 -26.554 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.477 -27.692 -2.710 1.00 0.00 H new ATOM 302 N THR A 22 12.650 -24.051 -1.618 1.00 0.00 N ATOM 303 CA THR A 22 12.013 -23.713 -0.352 1.00 0.00 C ATOM 304 C THR A 22 10.525 -23.439 -0.540 1.00 0.00 C ATOM 305 O THR A 22 9.749 -23.490 0.413 1.00 0.00 O ATOM 306 CB THR A 22 12.672 -22.481 0.298 1.00 0.00 C ATOM 307 OG1 THR A 22 12.761 -21.415 -0.654 1.00 0.00 O ATOM 308 CG2 THR A 22 14.061 -22.822 0.817 1.00 0.00 C ATOM 0 H THR A 22 13.271 -23.329 -1.983 1.00 0.00 H new ATOM 0 HA THR A 22 12.141 -24.573 0.305 1.00 0.00 H new ATOM 0 HB THR A 22 12.054 -22.166 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.222 -20.656 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 22 14.507 -21.937 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.987 -23.614 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 22 14.686 -23.159 -0.010 1.00 0.00 H new ATOM 316 N GLY A 23 10.134 -23.148 -1.777 1.00 0.00 N ATOM 317 CA GLY A 23 8.739 -22.871 -2.068 1.00 0.00 C ATOM 318 C GLY A 23 8.198 -21.709 -1.259 1.00 0.00 C ATOM 319 O GLY A 23 8.414 -20.548 -1.607 1.00 0.00 O ATOM 0 H GLY A 23 10.758 -23.099 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.629 -22.653 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.144 -23.761 -1.862 1.00 0.00 H new ATOM 323 N TRP A 24 7.492 -22.021 -0.178 1.00 0.00 N ATOM 324 CA TRP A 24 6.917 -20.992 0.682 1.00 0.00 C ATOM 325 C TRP A 24 7.524 -21.049 2.079 1.00 0.00 C ATOM 326 O TRP A 24 7.595 -22.115 2.691 1.00 0.00 O ATOM 327 CB TRP A 24 5.399 -21.158 0.764 1.00 0.00 C ATOM 328 CG TRP A 24 4.714 -21.031 -0.563 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.830 -21.877 -1.629 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.810 -19.996 -0.965 1.00 0.00 C ATOM 331 NE1 TRP A 24 4.052 -21.431 -2.670 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.416 -20.279 -2.288 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.294 -18.860 -0.337 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.531 -19.465 -2.990 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.416 -18.053 -1.036 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.041 -18.359 -2.351 1.00 0.00 C ATOM 0 H TRP A 24 7.304 -22.977 0.124 1.00 0.00 H new ATOM 0 HA TRP A 24 7.146 -20.019 0.247 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.170 -22.135 1.191 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.995 -20.410 1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.443 -22.766 -1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.962 -21.884 -3.580 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.576 -18.617 0.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.241 -19.699 -4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.012 -17.171 -0.560 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.352 -17.709 -2.870 1.00 0.00 H new ATOM 347 N GLN A 25 7.959 -19.897 2.579 1.00 0.00 N ATOM 348 CA GLN A 25 8.560 -19.818 3.905 1.00 0.00 C ATOM 349 C GLN A 25 7.812 -18.820 4.783 1.00 0.00 C ATOM 350 O GLN A 25 7.453 -17.731 4.334 1.00 0.00 O ATOM 351 CB GLN A 25 10.032 -19.417 3.797 1.00 0.00 C ATOM 352 CG GLN A 25 10.973 -20.599 3.626 1.00 0.00 C ATOM 353 CD GLN A 25 12.350 -20.337 4.202 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.594 -19.294 4.809 1.00 0.00 O ATOM 355 NE2 GLN A 25 13.261 -21.285 4.014 1.00 0.00 N ATOM 0 H GLN A 25 7.906 -19.006 2.086 1.00 0.00 H new ATOM 0 HA GLN A 25 8.492 -20.803 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.155 -18.740 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.316 -18.864 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.541 -21.475 4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.066 -20.834 2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.016 -22.134 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.206 -21.164 4.379 1.00 0.00 H new ATOM 364 N TYR A 26 7.580 -19.199 6.034 1.00 0.00 N ATOM 365 CA TYR A 26 6.872 -18.338 6.975 1.00 0.00 C ATOM 366 C TYR A 26 7.741 -17.155 7.391 1.00 0.00 C ATOM 367 O TYR A 26 8.846 -17.332 7.903 1.00 0.00 O ATOM 368 CB TYR A 26 6.450 -19.135 8.210 1.00 0.00 C ATOM 369 CG TYR A 26 5.359 -20.145 7.936 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.072 -19.736 7.611 1.00 0.00 C ATOM 371 CD2 TYR A 26 5.616 -21.509 8.001 1.00 0.00 C ATOM 372 CE1 TYR A 26 3.072 -20.655 7.360 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.623 -22.436 7.751 1.00 0.00 C ATOM 374 CZ TYR A 26 3.352 -22.004 7.431 1.00 0.00 C ATOM 375 OH TYR A 26 2.359 -22.923 7.181 1.00 0.00 O ATOM 0 H TYR A 26 7.872 -20.097 6.421 1.00 0.00 H new ATOM 0 HA TYR A 26 5.981 -17.954 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.320 -19.653 8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.108 -18.443 8.979 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.849 -18.681 7.554 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.610 -21.850 8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.076 -20.319 7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.840 -23.493 7.806 1.00 0.00 H new ATOM 0 HH TYR A 26 2.721 -23.829 7.271 1.00 0.00 H new ATOM 385 N ARG A 27 7.232 -15.948 7.167 1.00 0.00 N ATOM 386 CA ARG A 27 7.961 -14.735 7.517 1.00 0.00 C ATOM 387 C ARG A 27 7.031 -13.708 8.157 1.00 0.00 C ATOM 388 O ARG A 27 5.810 -13.790 8.020 1.00 0.00 O ATOM 389 CB ARG A 27 8.623 -14.135 6.276 1.00 0.00 C ATOM 390 CG ARG A 27 9.956 -14.776 5.926 1.00 0.00 C ATOM 391 CD ARG A 27 11.112 -14.067 6.613 1.00 0.00 C ATOM 392 NE ARG A 27 12.251 -14.956 6.826 1.00 0.00 N ATOM 393 CZ ARG A 27 13.029 -15.401 5.845 1.00 0.00 C ATOM 394 NH1 ARG A 27 12.793 -15.040 4.591 1.00 0.00 N ATOM 395 NH2 ARG A 27 14.047 -16.207 6.118 1.00 0.00 N ATOM 0 H ARG A 27 6.318 -15.784 6.745 1.00 0.00 H new ATOM 0 HA ARG A 27 8.733 -15.001 8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.946 -14.238 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.774 -13.067 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.945 -15.825 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.101 -14.749 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.425 -13.215 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.776 -13.672 7.572 1.00 0.00 H new ATOM 0 HE ARG A 27 12.461 -15.251 7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.013 -14.419 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.392 -15.383 3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.233 -16.485 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.644 -16.548 5.364 1.00 0.00 H new ATOM 409 N PHE A 28 7.617 -12.742 8.857 1.00 0.00 N ATOM 410 CA PHE A 28 6.841 -11.700 9.520 1.00 0.00 C ATOM 411 C PHE A 28 6.803 -10.430 8.675 1.00 0.00 C ATOM 412 O PHE A 28 7.842 -9.918 8.256 1.00 0.00 O ATOM 413 CB PHE A 28 7.432 -11.392 10.897 1.00 0.00 C ATOM 414 CG PHE A 28 6.720 -10.286 11.622 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.349 -10.339 11.817 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.421 -9.195 12.108 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.691 -9.322 12.483 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.768 -8.175 12.775 1.00 0.00 C ATOM 419 CZ PHE A 28 5.401 -8.240 12.964 1.00 0.00 C ATOM 0 H PHE A 28 8.626 -12.659 8.980 1.00 0.00 H new ATOM 0 HA PHE A 28 5.821 -12.064 9.644 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.400 -12.295 11.507 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.482 -11.122 10.781 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.789 -11.184 11.445 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.490 -9.140 11.964 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.622 -9.374 12.627 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.326 -7.329 13.148 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.889 -7.446 13.487 1.00 0.00 H new ATOM 429 N PHE A 29 5.598 -9.927 8.427 1.00 0.00 N ATOM 430 CA PHE A 29 5.423 -8.718 7.631 1.00 0.00 C ATOM 431 C PHE A 29 4.870 -7.580 8.484 1.00 0.00 C ATOM 432 O PHE A 29 4.093 -7.806 9.412 1.00 0.00 O ATOM 433 CB PHE A 29 4.487 -8.989 6.452 1.00 0.00 C ATOM 434 CG PHE A 29 5.164 -9.654 5.288 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.389 -11.022 5.290 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.576 -8.913 4.193 1.00 0.00 C ATOM 437 CE1 PHE A 29 6.013 -11.637 4.221 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.201 -9.522 3.121 1.00 0.00 C ATOM 439 CZ PHE A 29 6.418 -10.886 3.134 1.00 0.00 C ATOM 0 H PHE A 29 4.728 -10.338 8.766 1.00 0.00 H new ATOM 0 HA PHE A 29 6.399 -8.420 7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.663 -9.617 6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.053 -8.046 6.119 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.073 -11.614 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.407 -7.846 4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.184 -12.703 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.519 -8.932 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.903 -11.365 2.296 1.00 0.00 H new ATOM 449 N VAL A 30 5.276 -6.356 8.163 1.00 0.00 N ATOM 450 CA VAL A 30 4.821 -5.182 8.898 1.00 0.00 C ATOM 451 C VAL A 30 4.493 -4.033 7.951 1.00 0.00 C ATOM 452 O VAL A 30 5.389 -3.407 7.382 1.00 0.00 O ATOM 453 CB VAL A 30 5.880 -4.710 9.912 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.392 -3.478 10.659 1.00 0.00 C ATOM 455 CG2 VAL A 30 6.225 -5.830 10.882 1.00 0.00 C ATOM 0 H VAL A 30 5.919 -6.151 7.398 1.00 0.00 H new ATOM 0 HA VAL A 30 3.919 -5.475 9.435 1.00 0.00 H new ATOM 0 HB VAL A 30 6.785 -4.441 9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.153 -3.159 11.371 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.200 -2.674 9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.473 -3.717 11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.975 -5.479 11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.328 -6.133 11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.620 -6.682 10.329 1.00 0.00 H new ATOM 465 N LEU A 31 3.203 -3.760 7.786 1.00 0.00 N ATOM 466 CA LEU A 31 2.755 -2.685 6.907 1.00 0.00 C ATOM 467 C LEU A 31 2.945 -1.325 7.570 1.00 0.00 C ATOM 468 O LEU A 31 2.783 -1.186 8.782 1.00 0.00 O ATOM 469 CB LEU A 31 1.285 -2.883 6.536 1.00 0.00 C ATOM 470 CG LEU A 31 0.631 -1.744 5.753 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.038 -1.799 4.289 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.883 -1.803 5.890 1.00 0.00 C ATOM 0 H LEU A 31 2.449 -4.268 8.249 1.00 0.00 H new ATOM 0 HA LEU A 31 3.359 -2.714 6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.199 -3.797 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.717 -3.039 7.453 1.00 0.00 H new ATOM 0 HG LEU A 31 0.977 -0.798 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.563 -0.981 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.121 -1.706 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.722 -2.750 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.331 -0.985 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.247 -2.754 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.157 -1.712 6.941 1.00 0.00 H new ATOM 484 N ASN A 32 3.289 -0.323 6.767 1.00 0.00 N ATOM 485 CA ASN A 32 3.500 1.027 7.276 1.00 0.00 C ATOM 486 C ASN A 32 2.464 1.991 6.705 1.00 0.00 C ATOM 487 O ASN A 32 2.336 2.131 5.489 1.00 0.00 O ATOM 488 CB ASN A 32 4.909 1.511 6.930 1.00 0.00 C ATOM 489 CG ASN A 32 5.926 1.136 7.992 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.580 0.553 9.019 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.187 1.471 7.747 1.00 0.00 N ATOM 0 H ASN A 32 3.427 -0.421 5.761 1.00 0.00 H new ATOM 0 HA ASN A 32 3.389 1.002 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.212 1.085 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.898 2.594 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.915 1.245 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.427 1.954 6.881 1.00 0.00 H new ATOM 498 N ASN A 33 1.729 2.655 7.591 1.00 0.00 N ATOM 499 CA ASN A 33 0.705 3.606 7.176 1.00 0.00 C ATOM 500 C ASN A 33 1.281 5.016 7.075 1.00 0.00 C ATOM 501 O ASN A 33 0.859 5.810 6.235 1.00 0.00 O ATOM 502 CB ASN A 33 -0.466 3.590 8.160 1.00 0.00 C ATOM 503 CG ASN A 33 -1.584 4.526 7.745 1.00 0.00 C ATOM 504 OD1 ASN A 33 -1.908 5.478 8.455 1.00 0.00 O ATOM 505 ND2 ASN A 33 -2.179 4.260 6.588 1.00 0.00 N ATOM 0 H ASN A 33 1.824 2.552 8.601 1.00 0.00 H new ATOM 0 HA ASN A 33 0.346 3.308 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.856 2.575 8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.109 3.872 9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.937 4.856 6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.878 3.460 6.032 1.00 0.00 H new ATOM 512 N GLU A 34 2.246 5.317 7.938 1.00 0.00 N ATOM 513 CA GLU A 34 2.879 6.631 7.946 1.00 0.00 C ATOM 514 C GLU A 34 3.817 6.791 6.753 1.00 0.00 C ATOM 515 O GLU A 34 3.888 7.857 6.144 1.00 0.00 O ATOM 516 CB GLU A 34 3.653 6.841 9.249 1.00 0.00 C ATOM 517 CG GLU A 34 4.260 8.227 9.380 1.00 0.00 C ATOM 518 CD GLU A 34 3.229 9.285 9.724 1.00 0.00 C ATOM 519 OE1 GLU A 34 2.097 9.201 9.202 1.00 0.00 O ATOM 520 OE2 GLU A 34 3.553 10.196 10.513 1.00 0.00 O ATOM 0 H GLU A 34 2.606 4.670 8.640 1.00 0.00 H new ATOM 0 HA GLU A 34 2.094 7.384 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.984 6.666 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.448 6.098 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.030 8.211 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.751 8.494 8.444 1.00 0.00 H new ATOM 527 N ALA A 35 4.536 5.722 6.426 1.00 0.00 N ATOM 528 CA ALA A 35 5.469 5.742 5.306 1.00 0.00 C ATOM 529 C ALA A 35 4.828 5.165 4.048 1.00 0.00 C ATOM 530 O ALA A 35 5.004 5.695 2.952 1.00 0.00 O ATOM 531 CB ALA A 35 6.733 4.971 5.658 1.00 0.00 C ATOM 0 H ALA A 35 4.490 4.831 6.921 1.00 0.00 H new ATOM 0 HA ALA A 35 5.734 6.780 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.421 4.994 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.209 5.429 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.476 3.937 5.888 1.00 0.00 H new ATOM 537 N GLY A 36 4.084 4.076 4.214 1.00 0.00 N ATOM 538 CA GLY A 36 3.429 3.445 3.083 1.00 0.00 C ATOM 539 C GLY A 36 4.300 2.397 2.420 1.00 0.00 C ATOM 540 O GLY A 36 4.136 2.102 1.235 1.00 0.00 O ATOM 0 H GLY A 36 3.923 3.619 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.500 2.983 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.161 4.207 2.351 1.00 0.00 H new ATOM 544 N LEU A 37 5.229 1.833 3.183 1.00 0.00 N ATOM 545 CA LEU A 37 6.131 0.811 2.663 1.00 0.00 C ATOM 546 C LEU A 37 5.878 -0.534 3.336 1.00 0.00 C ATOM 547 O LEU A 37 5.694 -0.606 4.552 1.00 0.00 O ATOM 548 CB LEU A 37 7.586 1.233 2.872 1.00 0.00 C ATOM 549 CG LEU A 37 8.221 2.040 1.738 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.301 2.963 2.279 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.793 1.110 0.678 1.00 0.00 C ATOM 0 H LEU A 37 5.378 2.066 4.165 1.00 0.00 H new ATOM 0 HA LEU A 37 5.940 0.703 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.644 1.822 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.184 0.336 3.032 1.00 0.00 H new ATOM 0 HG LEU A 37 7.447 2.653 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.741 3.529 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.863 3.652 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.075 2.371 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.241 1.701 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.554 0.471 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.995 0.491 0.268 1.00 0.00 H new ATOM 563 N LEU A 38 5.871 -1.597 2.539 1.00 0.00 N ATOM 564 CA LEU A 38 5.643 -2.941 3.059 1.00 0.00 C ATOM 565 C LEU A 38 6.960 -3.690 3.227 1.00 0.00 C ATOM 566 O LEU A 38 7.614 -4.042 2.245 1.00 0.00 O ATOM 567 CB LEU A 38 4.715 -3.719 2.124 1.00 0.00 C ATOM 568 CG LEU A 38 4.501 -5.194 2.466 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.417 -5.345 3.522 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.145 -5.985 1.216 1.00 0.00 C ATOM 0 H LEU A 38 6.020 -1.554 1.531 1.00 0.00 H new ATOM 0 HA LEU A 38 5.171 -2.851 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.744 -3.224 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.115 -3.656 1.112 1.00 0.00 H new ATOM 0 HG LEU A 38 5.431 -5.592 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.278 -6.401 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.713 -4.812 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.482 -4.930 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.996 -7.032 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.228 -5.586 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.955 -5.904 0.491 1.00 0.00 H new ATOM 582 N GLU A 39 7.342 -3.933 4.477 1.00 0.00 N ATOM 583 CA GLU A 39 8.581 -4.643 4.772 1.00 0.00 C ATOM 584 C GLU A 39 8.292 -6.018 5.367 1.00 0.00 C ATOM 585 O GLU A 39 7.147 -6.342 5.682 1.00 0.00 O ATOM 586 CB GLU A 39 9.444 -3.828 5.738 1.00 0.00 C ATOM 587 CG GLU A 39 9.301 -2.325 5.562 1.00 0.00 C ATOM 588 CD GLU A 39 10.206 -1.541 6.492 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.379 -1.967 7.652 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.741 -0.499 6.058 1.00 0.00 O ATOM 0 H GLU A 39 6.812 -3.649 5.301 1.00 0.00 H new ATOM 0 HA GLU A 39 9.124 -4.778 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.178 -4.092 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.489 -4.104 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.530 -2.060 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.265 -2.039 5.742 1.00 0.00 H new ATOM 597 N TYR A 40 9.338 -6.822 5.519 1.00 0.00 N ATOM 598 CA TYR A 40 9.197 -8.163 6.073 1.00 0.00 C ATOM 599 C TYR A 40 10.498 -8.622 6.726 1.00 0.00 C ATOM 600 O TYR A 40 11.547 -8.666 6.084 1.00 0.00 O ATOM 601 CB TYR A 40 8.787 -9.150 4.979 1.00 0.00 C ATOM 602 CG TYR A 40 9.930 -9.568 4.081 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.716 -10.671 4.392 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.223 -8.860 2.922 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.761 -11.056 3.575 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.266 -9.239 2.098 1.00 0.00 C ATOM 607 CZ TYR A 40 12.032 -10.337 2.429 1.00 0.00 C ATOM 608 OH TYR A 40 13.072 -10.718 1.612 1.00 0.00 O ATOM 0 H TYR A 40 10.293 -6.568 5.266 1.00 0.00 H new ATOM 0 HA TYR A 40 8.419 -8.133 6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.358 -10.038 5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.003 -8.699 4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.506 -11.237 5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.626 -7.999 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.363 -11.915 3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.480 -8.678 1.200 1.00 0.00 H new ATOM 0 HH TYR A 40 13.128 -10.108 0.847 1.00 0.00 H new ATOM 618 N PHE A 41 10.420 -8.964 8.008 1.00 0.00 N ATOM 619 CA PHE A 41 11.590 -9.420 8.750 1.00 0.00 C ATOM 620 C PHE A 41 11.505 -10.917 9.032 1.00 0.00 C ATOM 621 O PHE A 41 10.416 -11.487 9.099 1.00 0.00 O ATOM 622 CB PHE A 41 11.718 -8.648 10.065 1.00 0.00 C ATOM 623 CG PHE A 41 11.679 -7.157 9.891 1.00 0.00 C ATOM 624 CD1 PHE A 41 12.804 -6.465 9.475 1.00 0.00 C ATOM 625 CD2 PHE A 41 10.516 -6.447 10.145 1.00 0.00 C ATOM 626 CE1 PHE A 41 12.771 -5.092 9.313 1.00 0.00 C ATOM 627 CE2 PHE A 41 10.477 -5.075 9.984 1.00 0.00 C ATOM 628 CZ PHE A 41 11.606 -4.396 9.570 1.00 0.00 C ATOM 0 H PHE A 41 9.559 -8.934 8.554 1.00 0.00 H new ATOM 0 HA PHE A 41 12.473 -9.233 8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.912 -8.949 10.734 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.654 -8.925 10.550 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.718 -7.004 9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.631 -6.972 10.472 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.655 -4.565 8.986 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.564 -4.534 10.182 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.578 -3.323 9.447 1.00 0.00 H new ATOM 638 N VAL A 42 12.663 -11.548 9.196 1.00 0.00 N ATOM 639 CA VAL A 42 12.722 -12.979 9.472 1.00 0.00 C ATOM 640 C VAL A 42 11.691 -13.379 10.521 1.00 0.00 C ATOM 641 O VAL A 42 11.216 -14.514 10.538 1.00 0.00 O ATOM 642 CB VAL A 42 14.122 -13.400 9.956 1.00 0.00 C ATOM 643 CG1 VAL A 42 14.120 -14.857 10.395 1.00 0.00 C ATOM 644 CG2 VAL A 42 15.156 -13.165 8.865 1.00 0.00 C ATOM 0 H VAL A 42 13.573 -11.091 9.143 1.00 0.00 H new ATOM 0 HA VAL A 42 12.501 -13.492 8.536 1.00 0.00 H new ATOM 0 HB VAL A 42 14.389 -12.787 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.118 -15.136 10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.409 -14.990 11.211 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.831 -15.490 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.139 -13.468 9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.895 -13.751 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.175 -12.107 8.604 1.00 0.00 H new ATOM 654 N ASN A 43 11.350 -12.439 11.397 1.00 0.00 N ATOM 655 CA ASN A 43 10.375 -12.693 12.451 1.00 0.00 C ATOM 656 C ASN A 43 10.050 -11.412 13.212 1.00 0.00 C ATOM 657 O ASN A 43 10.652 -10.366 12.971 1.00 0.00 O ATOM 658 CB ASN A 43 10.904 -13.754 13.418 1.00 0.00 C ATOM 659 CG ASN A 43 12.413 -13.706 13.560 1.00 0.00 C ATOM 660 OD1 ASN A 43 13.009 -12.630 13.612 1.00 0.00 O ATOM 661 ND2 ASN A 43 13.039 -14.876 13.623 1.00 0.00 N ATOM 0 H ASN A 43 11.735 -11.494 11.397 1.00 0.00 H new ATOM 0 HA ASN A 43 9.460 -13.059 11.985 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.445 -13.611 14.396 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.606 -14.742 13.067 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.054 -14.907 13.718 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.505 -15.744 13.576 1.00 0.00 H new ATOM 668 N GLU A 44 9.095 -11.503 14.132 1.00 0.00 N ATOM 669 CA GLU A 44 8.690 -10.350 14.928 1.00 0.00 C ATOM 670 C GLU A 44 9.831 -9.883 15.829 1.00 0.00 C ATOM 671 O GLU A 44 9.939 -8.699 16.146 1.00 0.00 O ATOM 672 CB GLU A 44 7.464 -10.693 15.777 1.00 0.00 C ATOM 673 CG GLU A 44 6.966 -9.534 16.623 1.00 0.00 C ATOM 674 CD GLU A 44 6.246 -9.994 17.876 1.00 0.00 C ATOM 675 OE1 GLU A 44 6.920 -10.200 18.907 1.00 0.00 O ATOM 676 OE2 GLU A 44 5.007 -10.147 17.826 1.00 0.00 O ATOM 0 H GLU A 44 8.588 -12.362 14.345 1.00 0.00 H new ATOM 0 HA GLU A 44 8.435 -9.541 14.244 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.659 -11.025 15.121 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.708 -11.530 16.431 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.811 -8.905 16.904 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.293 -8.917 16.027 1.00 0.00 H new ATOM 683 N GLN A 45 10.678 -10.823 16.236 1.00 0.00 N ATOM 684 CA GLN A 45 11.809 -10.508 17.100 1.00 0.00 C ATOM 685 C GLN A 45 12.782 -9.564 16.402 1.00 0.00 C ATOM 686 O GLN A 45 13.731 -9.072 17.012 1.00 0.00 O ATOM 687 CB GLN A 45 12.533 -11.790 17.515 1.00 0.00 C ATOM 688 CG GLN A 45 13.191 -11.702 18.883 1.00 0.00 C ATOM 689 CD GLN A 45 14.396 -12.613 19.010 1.00 0.00 C ATOM 690 OE1 GLN A 45 15.469 -12.321 18.480 1.00 0.00 O ATOM 691 NE2 GLN A 45 14.226 -13.724 19.716 1.00 0.00 N ATOM 0 H GLN A 45 10.602 -11.808 15.982 1.00 0.00 H new ATOM 0 HA GLN A 45 11.425 -10.011 17.991 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.821 -12.615 17.516 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.293 -12.026 16.770 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.497 -10.673 19.069 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.462 -11.961 19.650 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.320 -13.926 20.138 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.002 -14.375 19.837 1.00 0.00 H new ATOM 700 N SER A 46 12.539 -9.316 15.119 1.00 0.00 N ATOM 701 CA SER A 46 13.397 -8.434 14.335 1.00 0.00 C ATOM 702 C SER A 46 12.620 -7.216 13.845 1.00 0.00 C ATOM 703 O SER A 46 12.374 -7.063 12.649 1.00 0.00 O ATOM 704 CB SER A 46 13.988 -9.189 13.143 1.00 0.00 C ATOM 705 OG SER A 46 15.061 -10.022 13.548 1.00 0.00 O ATOM 0 H SER A 46 11.756 -9.713 14.600 1.00 0.00 H new ATOM 0 HA SER A 46 14.208 -8.092 14.978 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.213 -9.793 12.670 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.338 -8.477 12.395 1.00 0.00 H new ATOM 0 HG SER A 46 15.420 -10.495 12.768 1.00 0.00 H new ATOM 711 N ARG A 47 12.237 -6.351 14.779 1.00 0.00 N ATOM 712 CA ARG A 47 11.487 -5.147 14.444 1.00 0.00 C ATOM 713 C ARG A 47 12.414 -3.938 14.351 1.00 0.00 C ATOM 714 O ARG A 47 12.233 -3.069 13.499 1.00 0.00 O ATOM 715 CB ARG A 47 10.400 -4.890 15.489 1.00 0.00 C ATOM 716 CG ARG A 47 9.100 -5.627 15.209 1.00 0.00 C ATOM 717 CD ARG A 47 7.988 -5.168 16.138 1.00 0.00 C ATOM 718 NE ARG A 47 8.402 -5.187 17.539 1.00 0.00 N ATOM 719 CZ ARG A 47 7.804 -4.481 18.492 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.770 -3.705 18.196 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.239 -4.551 19.743 1.00 0.00 N ATOM 0 H ARG A 47 12.434 -6.462 15.774 1.00 0.00 H new ATOM 0 HA ARG A 47 11.018 -5.300 13.472 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.773 -5.187 16.469 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.198 -3.820 15.536 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.802 -5.461 14.174 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.256 -6.699 15.328 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.681 -4.159 15.865 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.118 -5.812 16.008 1.00 0.00 H new ATOM 0 HE ARG A 47 9.194 -5.775 17.800 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.433 -3.650 17.235 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.312 -3.164 18.929 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.034 -5.147 19.974 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.779 -4.008 20.474 1.00 0.00 H new ATOM 735 N ASN A 48 13.406 -3.890 15.234 1.00 0.00 N ATOM 736 CA ASN A 48 14.360 -2.787 15.253 1.00 0.00 C ATOM 737 C ASN A 48 15.617 -3.142 14.464 1.00 0.00 C ATOM 738 O ASN A 48 16.717 -2.709 14.804 1.00 0.00 O ATOM 739 CB ASN A 48 14.732 -2.431 16.693 1.00 0.00 C ATOM 740 CG ASN A 48 15.802 -1.359 16.766 1.00 0.00 C ATOM 741 OD1 ASN A 48 15.620 -0.249 16.266 1.00 0.00 O ATOM 742 ND2 ASN A 48 16.927 -1.687 17.391 1.00 0.00 N ATOM 0 H ASN A 48 13.570 -4.602 15.946 1.00 0.00 H new ATOM 0 HA ASN A 48 13.889 -1.924 14.783 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.842 -2.089 17.221 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.083 -3.326 17.207 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.683 -1.007 17.471 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.035 -2.619 17.791 1.00 0.00 H new ATOM 749 N GLN A 49 15.443 -3.931 13.408 1.00 0.00 N ATOM 750 CA GLN A 49 16.563 -4.344 12.571 1.00 0.00 C ATOM 751 C GLN A 49 16.273 -4.070 11.099 1.00 0.00 C ATOM 752 O GLN A 49 15.122 -3.873 10.709 1.00 0.00 O ATOM 753 CB GLN A 49 16.861 -5.830 12.777 1.00 0.00 C ATOM 754 CG GLN A 49 18.260 -6.236 12.342 1.00 0.00 C ATOM 755 CD GLN A 49 18.328 -6.617 10.877 1.00 0.00 C ATOM 756 OE1 GLN A 49 19.106 -6.047 10.111 1.00 0.00 O ATOM 757 NE2 GLN A 49 17.513 -7.587 10.478 1.00 0.00 N ATOM 0 H GLN A 49 14.538 -4.297 13.112 1.00 0.00 H new ATOM 0 HA GLN A 49 17.437 -3.762 12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 49 16.732 -6.075 13.831 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.131 -6.419 12.221 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.949 -5.413 12.532 1.00 0.00 H new ATOM 0 HG3 GLN A 49 18.595 -7.078 12.948 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.884 -8.032 11.147 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.516 -7.887 9.503 1.00 0.00 H new ATOM 766 N LYS A 50 17.324 -4.058 10.286 1.00 0.00 N ATOM 767 CA LYS A 50 17.183 -3.809 8.856 1.00 0.00 C ATOM 768 C LYS A 50 16.284 -4.858 8.208 1.00 0.00 C ATOM 769 O LYS A 50 16.474 -6.063 8.377 1.00 0.00 O ATOM 770 CB LYS A 50 18.555 -3.809 8.180 1.00 0.00 C ATOM 771 CG LYS A 50 18.606 -2.984 6.906 1.00 0.00 C ATOM 772 CD LYS A 50 18.770 -1.504 7.206 1.00 0.00 C ATOM 773 CE LYS A 50 20.228 -1.143 7.448 1.00 0.00 C ATOM 774 NZ LYS A 50 20.508 0.282 7.120 1.00 0.00 N ATOM 0 H LYS A 50 18.283 -4.218 10.593 1.00 0.00 H new ATOM 0 HA LYS A 50 16.722 -2.830 8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.296 -3.425 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.837 -4.836 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.434 -3.324 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.692 -3.141 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.382 -0.918 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.179 -1.242 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.481 -1.332 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.867 -1.787 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.512 0.489 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.291 0.457 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.917 0.898 7.714 1.00 0.00 H new ATOM 788 N PRO A 51 15.284 -4.391 7.446 1.00 0.00 N ATOM 789 CA PRO A 51 14.338 -5.273 6.755 1.00 0.00 C ATOM 790 C PRO A 51 14.989 -6.034 5.605 1.00 0.00 C ATOM 791 O PRO A 51 15.781 -5.475 4.847 1.00 0.00 O ATOM 792 CB PRO A 51 13.277 -4.307 6.223 1.00 0.00 C ATOM 793 CG PRO A 51 13.984 -3.002 6.091 1.00 0.00 C ATOM 794 CD PRO A 51 14.999 -2.968 7.200 1.00 0.00 C ATOM 0 HA PRO A 51 13.941 -6.043 7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.882 -4.642 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.432 -4.232 6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.467 -2.916 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.286 -2.169 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.896 -2.423 6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.605 -2.477 8.090 1.00 0.00 H new ATOM 802 N ARG A 52 14.649 -7.313 5.481 1.00 0.00 N ATOM 803 CA ARG A 52 15.202 -8.151 4.424 1.00 0.00 C ATOM 804 C ARG A 52 14.792 -7.633 3.049 1.00 0.00 C ATOM 805 O ARG A 52 15.513 -7.809 2.068 1.00 0.00 O ATOM 806 CB ARG A 52 14.735 -9.598 4.595 1.00 0.00 C ATOM 807 CG ARG A 52 15.097 -10.200 5.943 1.00 0.00 C ATOM 808 CD ARG A 52 16.585 -10.497 6.039 1.00 0.00 C ATOM 809 NE ARG A 52 17.343 -9.347 6.523 1.00 0.00 N ATOM 810 CZ ARG A 52 18.666 -9.335 6.641 1.00 0.00 C ATOM 811 NH1 ARG A 52 19.374 -10.407 6.311 1.00 0.00 N ATOM 812 NH2 ARG A 52 19.284 -8.250 7.089 1.00 0.00 N ATOM 0 H ARG A 52 13.994 -7.791 6.099 1.00 0.00 H new ATOM 0 HA ARG A 52 16.289 -8.115 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.653 -9.639 4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.173 -10.208 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.810 -9.512 6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.531 -11.119 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.743 -11.343 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.960 -10.791 5.059 1.00 0.00 H new ATOM 0 HE ARG A 52 16.828 -8.506 6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.903 -11.243 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.390 -10.395 6.402 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.743 -7.423 7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.300 -8.242 7.179 1.00 0.00 H new ATOM 826 N GLY A 53 13.629 -6.991 2.986 1.00 0.00 N ATOM 827 CA GLY A 53 13.144 -6.457 1.727 1.00 0.00 C ATOM 828 C GLY A 53 11.903 -5.604 1.899 1.00 0.00 C ATOM 829 O GLY A 53 11.074 -5.868 2.771 1.00 0.00 O ATOM 0 H GLY A 53 13.015 -6.831 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.929 -5.861 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.924 -7.280 1.047 1.00 0.00 H new ATOM 833 N THR A 54 11.773 -4.575 1.067 1.00 0.00 N ATOM 834 CA THR A 54 10.626 -3.679 1.133 1.00 0.00 C ATOM 835 C THR A 54 10.025 -3.452 -0.249 1.00 0.00 C ATOM 836 O THR A 54 10.676 -3.691 -1.267 1.00 0.00 O ATOM 837 CB THR A 54 11.012 -2.317 1.742 1.00 0.00 C ATOM 838 OG1 THR A 54 11.583 -1.474 0.734 1.00 0.00 O ATOM 839 CG2 THR A 54 12.003 -2.495 2.882 1.00 0.00 C ATOM 0 H THR A 54 12.449 -4.342 0.339 1.00 0.00 H new ATOM 0 HA THR A 54 9.886 -4.159 1.773 1.00 0.00 H new ATOM 0 HB THR A 54 10.109 -1.851 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.824 -0.610 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.260 -1.520 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.555 -3.113 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.905 -2.980 2.508 1.00 0.00 H new ATOM 847 N LEU A 55 8.780 -2.990 -0.279 1.00 0.00 N ATOM 848 CA LEU A 55 8.091 -2.730 -1.538 1.00 0.00 C ATOM 849 C LEU A 55 7.165 -1.524 -1.414 1.00 0.00 C ATOM 850 O LEU A 55 6.374 -1.432 -0.476 1.00 0.00 O ATOM 851 CB LEU A 55 7.289 -3.961 -1.967 1.00 0.00 C ATOM 852 CG LEU A 55 6.446 -3.805 -3.233 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.283 -4.088 -4.470 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.235 -4.726 -3.183 1.00 0.00 C ATOM 0 H LEU A 55 8.227 -2.788 0.554 1.00 0.00 H new ATOM 0 HA LEU A 55 8.843 -2.511 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.983 -4.788 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.628 -4.243 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 55 6.093 -2.775 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.666 -3.972 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.117 -3.388 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.667 -5.107 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.646 -4.602 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.568 -5.761 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.623 -4.475 -2.317 1.00 0.00 H new ATOM 866 N GLN A 56 7.269 -0.604 -2.367 1.00 0.00 N ATOM 867 CA GLN A 56 6.440 0.596 -2.364 1.00 0.00 C ATOM 868 C GLN A 56 4.998 0.261 -2.728 1.00 0.00 C ATOM 869 O GLN A 56 4.744 -0.537 -3.631 1.00 0.00 O ATOM 870 CB GLN A 56 6.999 1.630 -3.342 1.00 0.00 C ATOM 871 CG GLN A 56 8.012 2.575 -2.715 1.00 0.00 C ATOM 872 CD GLN A 56 8.860 3.290 -3.749 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.702 4.490 -3.976 1.00 0.00 O ATOM 874 NE2 GLN A 56 9.768 2.555 -4.381 1.00 0.00 N ATOM 0 H GLN A 56 7.919 -0.666 -3.151 1.00 0.00 H new ATOM 0 HA GLN A 56 6.454 1.015 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.468 1.111 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.175 2.214 -3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.488 3.313 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.661 2.013 -2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.865 1.564 -4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.369 2.982 -5.086 1.00 0.00 H new ATOM 883 N LEU A 57 4.056 0.876 -2.021 1.00 0.00 N ATOM 884 CA LEU A 57 2.638 0.643 -2.269 1.00 0.00 C ATOM 885 C LEU A 57 2.032 1.785 -3.079 1.00 0.00 C ATOM 886 O LEU A 57 1.154 1.570 -3.913 1.00 0.00 O ATOM 887 CB LEU A 57 1.887 0.487 -0.946 1.00 0.00 C ATOM 888 CG LEU A 57 2.107 -0.830 -0.201 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.484 -0.769 1.186 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.533 -1.995 -0.994 1.00 0.00 C ATOM 0 H LEU A 57 4.249 1.540 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 57 2.542 -0.278 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.177 1.306 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.820 0.597 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 57 3.180 -0.987 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.650 -1.715 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.942 0.040 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.413 -0.588 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.699 -2.924 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.463 -1.845 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.025 -2.052 -1.965 1.00 0.00 H new ATOM 902 N ALA A 58 2.511 2.999 -2.829 1.00 0.00 N ATOM 903 CA ALA A 58 2.020 4.175 -3.537 1.00 0.00 C ATOM 904 C ALA A 58 1.927 3.913 -5.037 1.00 0.00 C ATOM 905 O ALA A 58 2.903 4.080 -5.767 1.00 0.00 O ATOM 906 CB ALA A 58 2.920 5.370 -3.263 1.00 0.00 C ATOM 0 H ALA A 58 3.239 3.194 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 58 1.018 4.398 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.541 6.241 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.932 5.578 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.932 5.148 -3.601 1.00 0.00 H new ATOM 912 N GLY A 59 0.747 3.500 -5.489 1.00 0.00 N ATOM 913 CA GLY A 59 0.550 3.221 -6.900 1.00 0.00 C ATOM 914 C GLY A 59 0.655 1.743 -7.219 1.00 0.00 C ATOM 915 O GLY A 59 1.098 1.365 -8.303 1.00 0.00 O ATOM 0 H GLY A 59 -0.076 3.354 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.430 3.587 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.291 3.769 -7.482 1.00 0.00 H new ATOM 919 N ALA A 60 0.248 0.905 -6.271 1.00 0.00 N ATOM 920 CA ALA A 60 0.299 -0.540 -6.456 1.00 0.00 C ATOM 921 C ALA A 60 -1.093 -1.110 -6.708 1.00 0.00 C ATOM 922 O ALA A 60 -2.100 -0.436 -6.491 1.00 0.00 O ATOM 923 CB ALA A 60 0.933 -1.206 -5.244 1.00 0.00 C ATOM 0 H ALA A 60 -0.121 1.202 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 60 0.913 -0.748 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.964 -2.285 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.947 -0.829 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.343 -0.982 -4.355 1.00 0.00 H new ATOM 929 N VAL A 61 -1.143 -2.357 -7.168 1.00 0.00 N ATOM 930 CA VAL A 61 -2.412 -3.018 -7.449 1.00 0.00 C ATOM 931 C VAL A 61 -2.482 -4.383 -6.774 1.00 0.00 C ATOM 932 O VAL A 61 -1.523 -5.155 -6.811 1.00 0.00 O ATOM 933 CB VAL A 61 -2.630 -3.194 -8.963 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.729 -4.211 -9.230 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.959 -1.859 -9.613 1.00 0.00 C ATOM 0 H VAL A 61 -0.319 -2.929 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.198 -2.378 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.706 -3.569 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.869 -4.322 -10.305 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.448 -5.172 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.659 -3.869 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.110 -2.003 -10.683 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.868 -1.453 -9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.135 -1.164 -9.453 1.00 0.00 H new ATOM 945 N ILE A 62 -3.622 -4.674 -6.157 1.00 0.00 N ATOM 946 CA ILE A 62 -3.817 -5.947 -5.475 1.00 0.00 C ATOM 947 C ILE A 62 -4.790 -6.838 -6.240 1.00 0.00 C ATOM 948 O ILE A 62 -5.917 -6.436 -6.533 1.00 0.00 O ATOM 949 CB ILE A 62 -4.344 -5.743 -4.042 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.312 -4.994 -3.198 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.684 -7.084 -3.407 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.341 -3.495 -3.398 1.00 0.00 C ATOM 0 H ILE A 62 -4.424 -4.046 -6.115 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.842 -6.433 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.253 -5.143 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.486 -5.215 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.317 -5.366 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.055 -6.924 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.451 -7.583 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.790 -7.707 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.583 -3.029 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.137 -3.263 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.324 -3.111 -3.127 1.00 0.00 H new ATOM 964 N SER A 63 -4.348 -8.050 -6.561 1.00 0.00 N ATOM 965 CA SER A 63 -5.179 -8.997 -7.294 1.00 0.00 C ATOM 966 C SER A 63 -5.176 -10.363 -6.613 1.00 0.00 C ATOM 967 O SER A 63 -4.321 -11.210 -6.869 1.00 0.00 O ATOM 968 CB SER A 63 -4.684 -9.133 -8.736 1.00 0.00 C ATOM 969 OG SER A 63 -5.520 -9.999 -9.483 1.00 0.00 O ATOM 0 H SER A 63 -3.419 -8.399 -6.325 1.00 0.00 H new ATOM 0 HA SER A 63 -6.200 -8.616 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.657 -8.151 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.663 -9.516 -8.739 1.00 0.00 H new ATOM 0 HG SER A 63 -5.183 -10.068 -10.401 1.00 0.00 H new ATOM 975 N PRO A 64 -6.157 -10.582 -5.725 1.00 0.00 N ATOM 976 CA PRO A 64 -6.291 -11.842 -4.989 1.00 0.00 C ATOM 977 C PRO A 64 -6.715 -12.997 -5.889 1.00 0.00 C ATOM 978 O PRO A 64 -7.659 -12.874 -6.670 1.00 0.00 O ATOM 979 CB PRO A 64 -7.382 -11.538 -3.960 1.00 0.00 C ATOM 980 CG PRO A 64 -8.182 -10.438 -4.569 1.00 0.00 C ATOM 981 CD PRO A 64 -7.211 -9.616 -5.371 1.00 0.00 C ATOM 0 HA PRO A 64 -5.346 -12.158 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.999 -12.416 -3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.952 -11.233 -3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.974 -10.836 -5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.663 -9.834 -3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.681 -9.191 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.814 -8.783 -4.790 1.00 0.00 H new ATOM 989 N SER A 65 -6.013 -14.120 -5.774 1.00 0.00 N ATOM 990 CA SER A 65 -6.315 -15.297 -6.581 1.00 0.00 C ATOM 991 C SER A 65 -7.464 -16.093 -5.970 1.00 0.00 C ATOM 992 O SER A 65 -7.998 -15.730 -4.922 1.00 0.00 O ATOM 993 CB SER A 65 -5.076 -16.184 -6.710 1.00 0.00 C ATOM 994 OG SER A 65 -5.103 -16.925 -7.918 1.00 0.00 O ATOM 0 H SER A 65 -5.231 -14.240 -5.130 1.00 0.00 H new ATOM 0 HA SER A 65 -6.616 -14.960 -7.573 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.178 -15.567 -6.678 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.024 -16.867 -5.862 1.00 0.00 H new ATOM 0 HG SER A 65 -4.299 -17.483 -7.978 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.840 -17.181 -6.633 1.00 0.00 N ATOM 1001 CA ASP A 66 -8.924 -18.031 -6.157 1.00 0.00 C ATOM 1002 C ASP A 66 -8.445 -19.466 -5.962 1.00 0.00 C ATOM 1003 O ASP A 66 -9.028 -20.226 -5.189 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.095 -18.001 -7.141 1.00 0.00 C ATOM 1005 CG ASP A 66 -11.165 -19.019 -6.799 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -10.901 -20.231 -6.947 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -12.267 -18.604 -6.383 1.00 0.00 O ATOM 0 H ASP A 66 -7.409 -17.495 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.258 -17.645 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.535 -17.004 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.724 -18.192 -8.148 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.378 -19.830 -6.668 1.00 0.00 N ATOM 1013 CA GLU A 67 -6.822 -21.174 -6.573 1.00 0.00 C ATOM 1014 C GLU A 67 -6.866 -21.681 -5.134 1.00 0.00 C ATOM 1015 O GLU A 67 -7.690 -22.528 -4.788 1.00 0.00 O ATOM 1016 CB GLU A 67 -5.381 -21.191 -7.087 1.00 0.00 C ATOM 1017 CG GLU A 67 -5.275 -21.123 -8.601 1.00 0.00 C ATOM 1018 CD GLU A 67 -3.876 -20.776 -9.072 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.939 -21.542 -8.767 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.718 -19.736 -9.747 1.00 0.00 O ATOM 0 H GLU A 67 -6.882 -19.213 -7.311 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.429 -21.835 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.840 -20.349 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.890 -22.099 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.570 -22.083 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.976 -20.379 -8.978 1.00 0.00 H new ATOM 1027 N ASP A 68 -5.974 -21.157 -4.301 1.00 0.00 N ATOM 1028 CA ASP A 68 -5.911 -21.555 -2.900 1.00 0.00 C ATOM 1029 C ASP A 68 -6.738 -20.614 -2.029 1.00 0.00 C ATOM 1030 O ASP A 68 -6.679 -19.395 -2.187 1.00 0.00 O ATOM 1031 CB ASP A 68 -4.459 -21.572 -2.417 1.00 0.00 C ATOM 1032 CG ASP A 68 -3.763 -22.884 -2.722 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -3.860 -23.813 -1.893 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.123 -22.982 -3.789 1.00 0.00 O ATOM 0 H ASP A 68 -5.285 -20.456 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.327 -22.559 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.912 -20.756 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.434 -21.392 -1.342 1.00 0.00 H new ATOM 1039 N SER A 69 -7.509 -21.189 -1.112 1.00 0.00 N ATOM 1040 CA SER A 69 -8.352 -20.402 -0.220 1.00 0.00 C ATOM 1041 C SER A 69 -7.651 -19.111 0.191 1.00 0.00 C ATOM 1042 O SER A 69 -8.128 -18.013 -0.099 1.00 0.00 O ATOM 1043 CB SER A 69 -8.715 -21.216 1.023 1.00 0.00 C ATOM 1044 OG SER A 69 -8.940 -22.576 0.694 1.00 0.00 O ATOM 0 H SER A 69 -7.567 -22.197 -0.967 1.00 0.00 H new ATOM 0 HA SER A 69 -9.265 -20.145 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.912 -21.144 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.608 -20.798 1.487 1.00 0.00 H new ATOM 0 HG SER A 69 -9.169 -23.075 1.506 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.517 -19.251 0.869 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.748 -18.096 1.321 1.00 0.00 C ATOM 1052 C HIS A 70 -4.600 -17.798 0.361 1.00 0.00 C ATOM 1053 O HIS A 70 -3.595 -18.510 0.338 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.202 -18.338 2.728 1.00 0.00 C ATOM 1055 CG HIS A 70 -6.092 -19.194 3.576 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -5.610 -20.089 4.507 1.00 0.00 N ATOM 1057 CD2 HIS A 70 -7.441 -19.285 3.632 1.00 0.00 C ATOM 1058 CE1 HIS A 70 -6.624 -20.696 5.098 1.00 0.00 C ATOM 1059 NE2 HIS A 70 -7.747 -20.226 4.585 1.00 0.00 N ATOM 0 H HIS A 70 -6.110 -20.152 1.118 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.414 -17.233 1.342 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.222 -18.810 2.653 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.056 -17.378 3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.146 -18.722 3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.548 -21.448 5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.688 -20.515 4.853 1.00 0.00 H new ATOM 1068 N THR A 71 -4.756 -16.742 -0.431 1.00 0.00 N ATOM 1069 CA THR A 71 -3.734 -16.352 -1.394 1.00 0.00 C ATOM 1070 C THR A 71 -4.018 -14.967 -1.966 1.00 0.00 C ATOM 1071 O THR A 71 -5.174 -14.569 -2.111 1.00 0.00 O ATOM 1072 CB THR A 71 -3.637 -17.363 -2.552 1.00 0.00 C ATOM 1073 OG1 THR A 71 -3.962 -18.677 -2.084 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.240 -17.365 -3.153 1.00 0.00 C ATOM 0 H THR A 71 -5.580 -16.142 -0.424 1.00 0.00 H new ATOM 0 HA THR A 71 -2.785 -16.334 -0.858 1.00 0.00 H new ATOM 0 HB THR A 71 -4.347 -17.067 -3.324 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.365 -18.918 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.196 -18.087 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.007 -16.371 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.515 -17.639 -2.387 1.00 0.00 H new ATOM 1082 N PHE A 72 -2.955 -14.237 -2.290 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.091 -12.896 -2.846 1.00 0.00 C ATOM 1084 C PHE A 72 -1.734 -12.346 -3.276 1.00 0.00 C ATOM 1085 O PHE A 72 -0.696 -12.721 -2.729 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.732 -11.958 -1.822 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.912 -11.780 -0.576 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -1.843 -10.899 -0.555 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -3.210 -12.495 0.573 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.086 -10.732 0.590 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -2.457 -12.332 1.721 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.394 -11.451 1.729 1.00 0.00 C ATOM 0 H PHE A 72 -1.991 -14.552 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.734 -12.958 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.892 -10.984 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.713 -12.347 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.598 -10.336 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.039 -13.187 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.256 -10.041 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.700 -12.893 2.611 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.804 -11.324 2.625 1.00 0.00 H new ATOM 1102 N THR A 73 -1.749 -11.454 -4.262 1.00 0.00 N ATOM 1103 CA THR A 73 -0.521 -10.853 -4.768 1.00 0.00 C ATOM 1104 C THR A 73 -0.524 -9.342 -4.565 1.00 0.00 C ATOM 1105 O THR A 73 -1.583 -8.721 -4.469 1.00 0.00 O ATOM 1106 CB THR A 73 -0.321 -11.158 -6.264 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.547 -10.953 -6.974 1.00 0.00 O ATOM 1108 CG2 THR A 73 0.153 -12.590 -6.466 1.00 0.00 C ATOM 0 H THR A 73 -2.598 -11.132 -4.726 1.00 0.00 H new ATOM 0 HA THR A 73 0.301 -11.291 -4.203 1.00 0.00 H new ATOM 0 HB THR A 73 0.441 -10.481 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.411 -11.148 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.287 -12.782 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.101 -12.736 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.590 -13.279 -6.064 1.00 0.00 H new ATOM 1116 N VAL A 74 0.667 -8.756 -4.501 1.00 0.00 N ATOM 1117 CA VAL A 74 0.801 -7.317 -4.311 1.00 0.00 C ATOM 1118 C VAL A 74 1.741 -6.711 -5.348 1.00 0.00 C ATOM 1119 O VAL A 74 2.960 -6.728 -5.181 1.00 0.00 O ATOM 1120 CB VAL A 74 1.326 -6.983 -2.902 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.509 -5.481 -2.742 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.384 -7.530 -1.840 1.00 0.00 C ATOM 0 H VAL A 74 1.553 -9.256 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.194 -6.888 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 74 2.298 -7.459 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.880 -5.264 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.225 -5.121 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.552 -4.980 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.770 -7.285 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.603 -7.085 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.309 -8.613 -1.943 1.00 0.00 H new ATOM 1132 N ASN A 75 1.165 -6.176 -6.420 1.00 0.00 N ATOM 1133 CA ASN A 75 1.951 -5.565 -7.485 1.00 0.00 C ATOM 1134 C ASN A 75 2.573 -4.252 -7.018 1.00 0.00 C ATOM 1135 O ASN A 75 2.392 -3.842 -5.872 1.00 0.00 O ATOM 1136 CB ASN A 75 1.076 -5.317 -8.716 1.00 0.00 C ATOM 1137 CG ASN A 75 1.013 -6.524 -9.633 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.923 -6.760 -10.428 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.064 -7.293 -9.525 1.00 0.00 N ATOM 0 H ASN A 75 0.157 -6.153 -6.574 1.00 0.00 H new ATOM 0 HA ASN A 75 2.753 -6.253 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.068 -5.055 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.466 -4.463 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.162 -8.119 -10.116 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.793 -7.058 -8.851 1.00 0.00 H new ATOM 1146 N ALA A 76 3.305 -3.599 -7.913 1.00 0.00 N ATOM 1147 CA ALA A 76 3.952 -2.332 -7.594 1.00 0.00 C ATOM 1148 C ALA A 76 4.030 -1.430 -8.821 1.00 0.00 C ATOM 1149 O ALA A 76 4.252 -1.902 -9.936 1.00 0.00 O ATOM 1150 CB ALA A 76 5.342 -2.577 -7.027 1.00 0.00 C ATOM 0 H ALA A 76 3.465 -3.926 -8.866 1.00 0.00 H new ATOM 0 HA ALA A 76 3.349 -1.825 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.813 -1.622 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.264 -3.175 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.946 -3.110 -7.762 1.00 0.00 H new ATOM 1156 N ALA A 77 3.845 -0.131 -8.608 1.00 0.00 N ATOM 1157 CA ALA A 77 3.895 0.836 -9.698 1.00 0.00 C ATOM 1158 C ALA A 77 5.081 0.565 -10.618 1.00 0.00 C ATOM 1159 O ALA A 77 4.906 0.278 -11.802 1.00 0.00 O ATOM 1160 CB ALA A 77 3.968 2.251 -9.143 1.00 0.00 C ATOM 0 H ALA A 77 3.659 0.276 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 77 2.982 0.733 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.005 2.964 -9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.087 2.448 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.864 2.356 -8.532 1.00 0.00 H new ATOM 1166 N SER A 78 6.286 0.658 -10.066 1.00 0.00 N ATOM 1167 CA SER A 78 7.501 0.427 -10.839 1.00 0.00 C ATOM 1168 C SER A 78 7.393 -0.861 -11.649 1.00 0.00 C ATOM 1169 O SER A 78 7.700 -0.886 -12.840 1.00 0.00 O ATOM 1170 CB SER A 78 8.716 0.359 -9.911 1.00 0.00 C ATOM 1171 OG SER A 78 9.161 1.657 -9.557 1.00 0.00 O ATOM 0 H SER A 78 6.447 0.892 -9.086 1.00 0.00 H new ATOM 0 HA SER A 78 7.626 1.261 -11.530 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.459 -0.199 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.523 -0.184 -10.403 1.00 0.00 H new ATOM 0 HG SER A 78 9.937 1.586 -8.963 1.00 0.00 H new ATOM 1177 N GLY A 79 6.952 -1.930 -10.993 1.00 0.00 N ATOM 1178 CA GLY A 79 6.811 -3.208 -11.667 1.00 0.00 C ATOM 1179 C GLY A 79 7.398 -4.353 -10.867 1.00 0.00 C ATOM 1180 O GLY A 79 8.515 -4.796 -11.134 1.00 0.00 O ATOM 0 H GLY A 79 6.690 -1.934 -10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.755 -3.403 -11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.302 -3.159 -12.639 1.00 0.00 H new ATOM 1184 N GLU A 80 6.645 -4.833 -9.882 1.00 0.00 N ATOM 1185 CA GLU A 80 7.100 -5.932 -9.039 1.00 0.00 C ATOM 1186 C GLU A 80 5.929 -6.565 -8.291 1.00 0.00 C ATOM 1187 O GLU A 80 5.175 -5.877 -7.604 1.00 0.00 O ATOM 1188 CB GLU A 80 8.150 -5.439 -8.042 1.00 0.00 C ATOM 1189 CG GLU A 80 8.890 -6.561 -7.333 1.00 0.00 C ATOM 1190 CD GLU A 80 10.176 -6.090 -6.682 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.760 -5.100 -7.170 1.00 0.00 O ATOM 1192 OE2 GLU A 80 10.600 -6.712 -5.685 1.00 0.00 O ATOM 0 H GLU A 80 5.718 -4.478 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 80 7.549 -6.688 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.872 -4.814 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.664 -4.808 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.241 -6.997 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.117 -7.351 -8.049 1.00 0.00 H new ATOM 1199 N GLN A 81 5.785 -7.879 -8.432 1.00 0.00 N ATOM 1200 CA GLN A 81 4.707 -8.604 -7.771 1.00 0.00 C ATOM 1201 C GLN A 81 5.222 -9.343 -6.541 1.00 0.00 C ATOM 1202 O GLN A 81 6.339 -9.860 -6.537 1.00 0.00 O ATOM 1203 CB GLN A 81 4.059 -9.593 -8.742 1.00 0.00 C ATOM 1204 CG GLN A 81 2.923 -10.394 -8.126 1.00 0.00 C ATOM 1205 CD GLN A 81 2.543 -11.602 -8.959 1.00 0.00 C ATOM 1206 OE1 GLN A 81 2.921 -12.731 -8.644 1.00 0.00 O ATOM 1207 NE2 GLN A 81 1.791 -11.372 -10.029 1.00 0.00 N ATOM 0 H GLN A 81 6.401 -8.463 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 81 3.959 -7.879 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.680 -9.046 -9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.821 -10.281 -9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.214 -10.722 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.052 -9.750 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.500 -10.420 -10.253 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.504 -12.147 -10.627 1.00 0.00 H new ATOM 1216 N TYR A 82 4.401 -9.388 -5.497 1.00 0.00 N ATOM 1217 CA TYR A 82 4.774 -10.061 -4.259 1.00 0.00 C ATOM 1218 C TYR A 82 3.828 -11.220 -3.963 1.00 0.00 C ATOM 1219 O TYR A 82 2.610 -11.046 -3.911 1.00 0.00 O ATOM 1220 CB TYR A 82 4.767 -9.071 -3.093 1.00 0.00 C ATOM 1221 CG TYR A 82 6.095 -8.382 -2.876 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.821 -7.876 -3.948 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.625 -8.237 -1.600 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.036 -7.247 -3.754 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.838 -7.608 -1.397 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.539 -7.114 -2.477 1.00 0.00 C ATOM 1227 OH TYR A 82 9.748 -6.488 -2.279 1.00 0.00 O ATOM 0 H TYR A 82 3.472 -8.966 -5.484 1.00 0.00 H new ATOM 0 HA TYR A 82 5.781 -10.460 -4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.001 -8.317 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.488 -9.599 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.429 -7.976 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.079 -8.623 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.589 -6.862 -4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.235 -7.504 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 82 9.958 -6.477 -1.322 1.00 0.00 H new ATOM 1237 N LYS A 83 4.397 -12.405 -3.767 1.00 0.00 N ATOM 1238 CA LYS A 83 3.607 -13.595 -3.473 1.00 0.00 C ATOM 1239 C LYS A 83 3.484 -13.808 -1.968 1.00 0.00 C ATOM 1240 O LYS A 83 4.431 -14.245 -1.313 1.00 0.00 O ATOM 1241 CB LYS A 83 4.242 -14.826 -4.123 1.00 0.00 C ATOM 1242 CG LYS A 83 3.291 -16.005 -4.250 1.00 0.00 C ATOM 1243 CD LYS A 83 3.787 -17.013 -5.273 1.00 0.00 C ATOM 1244 CE LYS A 83 3.326 -16.654 -6.677 1.00 0.00 C ATOM 1245 NZ LYS A 83 4.106 -17.378 -7.719 1.00 0.00 N ATOM 0 H LYS A 83 5.403 -12.567 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 83 2.608 -13.449 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.607 -14.556 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.109 -15.130 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.182 -16.492 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.303 -15.647 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.876 -17.055 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.423 -18.007 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.268 -16.893 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.427 -15.579 -6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.762 -17.106 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.113 -17.131 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.989 -18.403 -7.590 1.00 0.00 H new ATOM 1259 N LEU A 84 2.311 -13.497 -1.425 1.00 0.00 N ATOM 1260 CA LEU A 84 2.063 -13.657 0.003 1.00 0.00 C ATOM 1261 C LEU A 84 0.815 -14.498 0.249 1.00 0.00 C ATOM 1262 O LEU A 84 0.067 -14.802 -0.680 1.00 0.00 O ATOM 1263 CB LEU A 84 1.910 -12.288 0.670 1.00 0.00 C ATOM 1264 CG LEU A 84 2.979 -11.250 0.326 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.702 -9.940 1.047 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.363 -11.774 0.680 1.00 0.00 C ATOM 0 H LEU A 84 1.518 -13.133 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 84 2.918 -14.174 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.936 -11.881 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.906 -12.431 1.751 1.00 0.00 H new ATOM 0 HG LEU A 84 2.946 -11.064 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.473 -9.213 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.727 -9.557 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.707 -10.109 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.112 -11.023 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.409 -11.989 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.561 -12.686 0.118 1.00 0.00 H new ATOM 1278 N ARG A 85 0.595 -14.868 1.506 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.563 -15.673 1.874 1.00 0.00 C ATOM 1280 C ARG A 85 -1.052 -15.314 3.275 1.00 0.00 C ATOM 1281 O ARG A 85 -0.283 -15.334 4.235 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.218 -17.162 1.809 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.244 -18.055 2.487 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.824 -19.516 2.446 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.750 -20.373 3.182 1.00 0.00 N ATOM 1286 CZ ARG A 85 -1.890 -21.673 2.951 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -1.169 -22.264 2.008 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.753 -22.385 3.664 1.00 0.00 N ATOM 0 H ARG A 85 1.204 -14.623 2.287 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.362 -15.461 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.124 -17.459 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.754 -17.322 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.373 -17.741 3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.210 -17.939 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.769 -19.848 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.176 -19.618 2.867 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.321 -19.949 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.505 -21.720 1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.279 -23.263 1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.309 -21.934 4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.860 -23.384 3.486 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.335 -14.986 3.382 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.926 -14.624 4.665 1.00 0.00 C ATOM 1304 C ALA A 86 -3.003 -15.831 5.593 1.00 0.00 C ATOM 1305 O ALA A 86 -2.850 -16.973 5.159 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.310 -14.026 4.458 1.00 0.00 C ATOM 0 H ALA A 86 -2.985 -14.963 2.596 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.286 -13.877 5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.740 -13.760 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.232 -13.133 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.951 -14.756 3.964 1.00 0.00 H new ATOM 1312 N THR A 87 -3.240 -15.571 6.876 1.00 0.00 N ATOM 1313 CA THR A 87 -3.335 -16.636 7.866 1.00 0.00 C ATOM 1314 C THR A 87 -4.561 -17.508 7.621 1.00 0.00 C ATOM 1315 O THR A 87 -4.569 -18.692 7.956 1.00 0.00 O ATOM 1316 CB THR A 87 -3.401 -16.068 9.297 1.00 0.00 C ATOM 1317 OG1 THR A 87 -3.145 -17.106 10.249 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.763 -15.448 9.570 1.00 0.00 C ATOM 0 H THR A 87 -3.369 -14.632 7.253 1.00 0.00 H new ATOM 0 HA THR A 87 -2.435 -17.243 7.764 1.00 0.00 H new ATOM 0 HB THR A 87 -2.640 -15.293 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.187 -16.736 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.786 -15.054 10.586 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.943 -14.639 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.537 -16.207 9.458 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.594 -16.915 7.033 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.826 -17.639 6.741 1.00 0.00 C ATOM 1328 C ASP A 88 -7.713 -16.841 5.791 1.00 0.00 C ATOM 1329 O ASP A 88 -7.466 -15.662 5.538 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.585 -17.941 8.034 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.967 -16.683 8.789 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -8.632 -15.812 8.190 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -7.600 -16.569 9.977 1.00 0.00 O ATOM 0 H ASP A 88 -5.603 -15.935 6.749 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.559 -18.579 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.486 -18.508 7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.969 -18.573 8.674 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.747 -17.491 5.267 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.671 -16.842 4.346 1.00 0.00 C ATOM 1340 C ALA A 89 -10.243 -15.565 4.951 1.00 0.00 C ATOM 1341 O ALA A 89 -10.391 -14.552 4.267 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.793 -17.796 3.963 1.00 0.00 C ATOM 0 H ALA A 89 -8.966 -18.467 5.465 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.118 -16.571 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.475 -17.297 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.372 -18.678 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.337 -18.097 4.859 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.565 -15.620 6.239 1.00 0.00 N ATOM 1349 CA LYS A 90 -11.121 -14.468 6.939 1.00 0.00 C ATOM 1350 C LYS A 90 -10.082 -13.360 7.076 1.00 0.00 C ATOM 1351 O LYS A 90 -10.423 -12.202 7.312 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.627 -14.880 8.323 1.00 0.00 C ATOM 1353 CG LYS A 90 -11.964 -13.705 9.223 1.00 0.00 C ATOM 1354 CD LYS A 90 -12.768 -14.143 10.436 1.00 0.00 C ATOM 1355 CE LYS A 90 -13.542 -12.982 11.041 1.00 0.00 C ATOM 1356 NZ LYS A 90 -13.835 -13.204 12.484 1.00 0.00 N ATOM 0 H LYS A 90 -10.450 -16.451 6.820 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.957 -14.088 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.514 -15.503 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.869 -15.494 8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.044 -13.221 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.530 -12.964 8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.461 -14.933 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.098 -14.564 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.968 -12.063 10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.477 -12.846 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.363 -12.391 12.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.404 -14.068 12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.942 -13.309 13.007 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.812 -13.724 6.924 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.724 -12.760 7.030 1.00 0.00 C ATOM 1372 C GLU A 91 -7.366 -12.190 5.660 1.00 0.00 C ATOM 1373 O GLU A 91 -6.836 -11.084 5.556 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.492 -13.414 7.659 1.00 0.00 C ATOM 1375 CG GLU A 91 -5.367 -12.437 7.955 1.00 0.00 C ATOM 1376 CD GLU A 91 -5.471 -11.830 9.341 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -6.274 -10.891 9.519 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -4.749 -12.295 10.247 1.00 0.00 O ATOM 0 H GLU A 91 -8.512 -14.679 6.727 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.059 -11.943 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.786 -13.907 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.121 -14.190 6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.410 -12.950 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.378 -11.640 7.212 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.660 -12.953 4.613 1.00 0.00 N ATOM 1386 CA ARG A 92 -7.369 -12.526 3.250 1.00 0.00 C ATOM 1387 C ARG A 92 -7.941 -11.137 2.982 1.00 0.00 C ATOM 1388 O ARG A 92 -7.203 -10.201 2.673 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.941 -13.528 2.245 1.00 0.00 C ATOM 1390 CG ARG A 92 -7.141 -13.622 0.956 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.801 -14.561 -0.041 1.00 0.00 C ATOM 1392 NE ARG A 92 -8.567 -15.613 0.622 1.00 0.00 N ATOM 1393 CZ ARG A 92 -9.842 -15.483 0.974 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -10.489 -14.353 0.728 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -10.471 -16.486 1.574 1.00 0.00 N ATOM 0 H ARG A 92 -8.100 -13.871 4.682 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.286 -12.483 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.982 -14.513 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.966 -13.245 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.043 -12.630 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.133 -13.974 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.460 -13.990 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.037 -15.013 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.098 -16.495 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.009 -13.580 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.467 -14.256 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.976 -17.357 1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.450 -16.386 1.844 1.00 0.00 H new ATOM 1409 N GLN A 93 -9.259 -11.012 3.101 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.929 -9.738 2.869 1.00 0.00 C ATOM 1411 C GLN A 93 -9.284 -8.627 3.691 1.00 0.00 C ATOM 1412 O GLN A 93 -9.119 -7.504 3.214 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.414 -9.849 3.216 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.718 -9.583 4.682 1.00 0.00 C ATOM 1415 CD GLN A 93 -11.697 -8.106 5.024 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -11.505 -7.258 4.152 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -11.894 -7.791 6.299 1.00 0.00 N ATOM 0 H GLN A 93 -9.883 -11.777 3.357 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.828 -9.489 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.975 -9.144 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.766 -10.847 2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.697 -9.995 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.989 -10.106 5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.049 -8.527 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.890 -6.813 6.589 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.921 -8.948 4.929 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.294 -7.976 5.818 1.00 0.00 C ATOM 1428 C HIS A 94 -7.073 -7.344 5.157 1.00 0.00 C ATOM 1429 O HIS A 94 -6.972 -6.121 5.059 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.888 -8.643 7.133 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.332 -7.687 8.143 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -8.093 -6.715 8.758 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -6.082 -7.559 8.646 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.334 -6.029 9.594 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.110 -6.522 9.546 1.00 0.00 N ATOM 0 H HIS A 94 -9.050 -9.873 5.339 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.020 -7.190 6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.756 -9.145 7.560 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.145 -9.413 6.926 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.223 -8.160 8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.659 -5.205 10.212 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.314 -6.187 10.089 1.00 0.00 H new ATOM 1444 N TRP A 95 -6.149 -8.185 4.706 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.934 -7.707 4.054 1.00 0.00 C ATOM 1446 C TRP A 95 -5.264 -6.972 2.760 1.00 0.00 C ATOM 1447 O TRP A 95 -5.049 -5.765 2.648 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.993 -8.878 3.765 1.00 0.00 C ATOM 1449 CG TRP A 95 -3.066 -9.189 4.901 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -3.070 -10.313 5.677 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -2.001 -8.366 5.389 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -2.072 -10.238 6.618 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.401 -9.053 6.462 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.495 -7.116 5.022 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.323 -8.530 7.170 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.425 -6.598 5.727 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.152 -7.305 6.790 1.00 0.00 C ATOM 0 H TRP A 95 -6.217 -9.200 4.779 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.438 -7.009 4.729 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.586 -9.764 3.536 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.404 -8.651 2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.757 -11.139 5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.864 -10.949 7.319 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.932 -6.565 4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.123 -9.072 7.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.027 -5.632 5.454 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.989 -6.874 7.320 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.787 -7.706 1.783 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.148 -7.122 0.497 1.00 0.00 C ATOM 1470 C VAL A 96 -6.803 -5.758 0.677 1.00 0.00 C ATOM 1471 O VAL A 96 -6.583 -4.843 -0.116 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.104 -8.040 -0.288 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.764 -7.276 -1.425 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.361 -9.259 -0.813 1.00 0.00 C ATOM 0 H VAL A 96 -5.970 -8.707 1.858 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.223 -7.005 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.887 -8.384 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.436 -7.941 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.332 -6.439 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.998 -6.900 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.052 -9.896 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.556 -8.938 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.942 -9.818 0.024 1.00 0.00 H new ATOM 1484 N SER A 97 -7.610 -5.629 1.725 1.00 0.00 N ATOM 1485 CA SER A 97 -8.302 -4.377 2.008 1.00 0.00 C ATOM 1486 C SER A 97 -7.332 -3.332 2.552 1.00 0.00 C ATOM 1487 O SER A 97 -7.061 -2.323 1.901 1.00 0.00 O ATOM 1488 CB SER A 97 -9.433 -4.610 3.011 1.00 0.00 C ATOM 1489 OG SER A 97 -10.613 -5.045 2.357 1.00 0.00 O ATOM 0 H SER A 97 -7.801 -6.376 2.392 1.00 0.00 H new ATOM 0 HA SER A 97 -8.725 -4.005 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.125 -5.354 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.635 -3.688 3.557 1.00 0.00 H new ATOM 0 HG SER A 97 -11.010 -5.788 2.858 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.813 -3.582 3.750 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.875 -2.663 4.383 1.00 0.00 C ATOM 1497 C ARG A 98 -4.841 -2.163 3.378 1.00 0.00 C ATOM 1498 O ARG A 98 -4.462 -0.992 3.392 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.172 -3.347 5.557 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.108 -3.721 6.694 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.529 -2.499 7.494 1.00 0.00 C ATOM 1502 NE ARG A 98 -7.485 -2.835 8.546 1.00 0.00 N ATOM 1503 CZ ARG A 98 -7.710 -2.068 9.607 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -7.052 -0.927 9.756 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -8.597 -2.442 10.521 1.00 0.00 N ATOM 0 H ARG A 98 -7.026 -4.413 4.301 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.438 -1.807 4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.674 -4.247 5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.395 -2.685 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.992 -4.216 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.615 -4.436 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.648 -2.036 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.972 -1.762 6.824 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.009 -3.706 8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.371 -0.636 9.055 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.227 -0.340 10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.106 -3.319 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.769 -1.853 11.336 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.389 -3.059 2.507 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.399 -2.710 1.495 1.00 0.00 C ATOM 1521 C LEU A 99 -4.024 -1.862 0.392 1.00 0.00 C ATOM 1522 O LEU A 99 -3.535 -0.776 0.080 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.786 -3.976 0.895 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.830 -4.754 1.800 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.502 -6.109 1.193 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.558 -3.955 2.043 1.00 0.00 C ATOM 0 H LEU A 99 -4.693 -4.032 2.482 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.614 -2.127 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.596 -4.642 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.251 -3.701 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.322 -4.919 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.821 -6.647 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.419 -6.685 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.031 -5.968 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.111 -4.524 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.064 -3.759 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.809 -3.009 2.523 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.107 -2.364 -0.192 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.799 -1.651 -1.259 1.00 0.00 C ATOM 1540 C GLN A 100 -6.107 -0.216 -0.845 1.00 0.00 C ATOM 1541 O GLN A 100 -6.335 0.649 -1.691 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.093 -2.377 -1.630 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.916 -3.418 -2.723 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.205 -3.713 -3.464 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.253 -3.142 -3.161 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.135 -4.608 -4.442 1.00 0.00 N ATOM 0 H GLN A 100 -5.524 -3.261 0.056 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.143 -1.625 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.496 -2.862 -0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.831 -1.643 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.165 -3.070 -3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.535 -4.340 -2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.245 -5.057 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.971 -4.846 -4.976 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.113 0.028 0.461 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.392 1.359 0.987 1.00 0.00 C ATOM 1557 C ILE A 101 -5.120 2.195 1.072 1.00 0.00 C ATOM 1558 O ILE A 101 -5.042 3.283 0.500 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.040 1.288 2.383 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.326 0.460 2.331 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.325 2.687 2.907 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -8.668 -0.208 3.645 1.00 0.00 C ATOM 0 H ILE A 101 -5.928 -0.678 1.174 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.089 1.832 0.295 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.344 0.801 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.153 1.106 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.226 -0.304 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.783 2.620 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.392 3.246 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.005 3.199 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.591 -0.777 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.859 -0.880 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.800 0.551 4.416 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.126 1.680 1.786 1.00 0.00 N ATOM 1575 CA CYS A 102 -2.856 2.379 1.945 1.00 0.00 C ATOM 1576 C CYS A 102 -2.223 2.671 0.588 1.00 0.00 C ATOM 1577 O CYS A 102 -1.618 3.725 0.386 1.00 0.00 O ATOM 1578 CB CYS A 102 -1.897 1.550 2.800 1.00 0.00 C ATOM 1579 SG CYS A 102 -0.584 2.515 3.584 1.00 0.00 S ATOM 0 H CYS A 102 -4.175 0.780 2.264 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.052 3.327 2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.468 1.037 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.444 0.780 2.176 1.00 0.00 H new ATOM 0 HG CYS A 102 0.043 1.773 4.448 1.00 0.00 H new ATOM 1585 N THR A 103 -2.365 1.730 -0.340 1.00 0.00 N ATOM 1586 CA THR A 103 -1.806 1.885 -1.677 1.00 0.00 C ATOM 1587 C THR A 103 -2.382 3.111 -2.376 1.00 0.00 C ATOM 1588 O THR A 103 -1.648 3.899 -2.972 1.00 0.00 O ATOM 1589 CB THR A 103 -2.073 0.641 -2.545 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.298 0.707 -3.747 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.549 0.530 -2.893 1.00 0.00 C ATOM 0 H THR A 103 -2.863 0.852 -0.190 1.00 0.00 H new ATOM 0 HA THR A 103 -0.730 2.011 -1.556 1.00 0.00 H new ATOM 0 HB THR A 103 -1.784 -0.241 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.360 0.883 -3.522 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.713 -0.356 -3.506 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.134 0.450 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.860 1.416 -3.446 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.700 3.266 -2.298 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.373 4.398 -2.924 1.00 0.00 C ATOM 1601 C GLN A 104 -4.247 5.651 -2.063 1.00 0.00 C ATOM 1602 O GLN A 104 -3.699 6.664 -2.500 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.850 4.073 -3.159 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.586 5.136 -3.958 1.00 0.00 C ATOM 1605 CD GLN A 104 -8.092 5.025 -3.827 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.604 4.485 -2.846 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -8.812 5.537 -4.819 1.00 0.00 N ATOM 0 H GLN A 104 -4.322 2.623 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 104 -3.892 4.589 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.925 3.120 -3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.344 3.947 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.268 6.123 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.309 5.052 -5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.346 5.976 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.830 5.491 -4.786 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.757 5.575 -0.838 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.701 6.704 0.085 1.00 0.00 C ATOM 1618 C HIS A 105 -3.372 7.443 -0.042 1.00 0.00 C ATOM 1619 O HIS A 105 -3.299 8.652 0.183 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.895 6.224 1.523 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.298 7.313 2.469 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.502 7.980 2.381 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -4.648 7.851 3.528 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.575 8.881 3.344 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.463 8.823 4.054 1.00 0.00 N ATOM 0 H HIS A 105 -5.213 4.744 -0.461 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.506 7.392 -0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.655 5.442 1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.967 5.773 1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.671 7.568 3.891 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.403 9.551 3.521 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.245 9.406 4.862 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.324 6.710 -0.403 1.00 0.00 N ATOM 1635 CA HIS A 106 -0.998 7.296 -0.560 1.00 0.00 C ATOM 1636 C HIS A 106 -0.806 7.837 -1.974 1.00 0.00 C ATOM 1637 O HIS A 106 -0.625 9.039 -2.171 1.00 0.00 O ATOM 1638 CB HIS A 106 0.082 6.260 -0.247 1.00 0.00 C ATOM 1639 CG HIS A 106 0.350 6.097 1.217 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.543 6.457 1.808 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.429 5.613 2.212 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.487 6.199 3.102 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.300 5.686 3.373 1.00 0.00 N ATOM 0 H HIS A 106 -2.367 5.709 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.910 8.125 0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.218 5.298 -0.662 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.006 6.549 -0.747 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.437 5.239 2.111 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.277 6.377 3.817 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -0.022 5.392 4.295 1.00 0.00 H new ATOM 1652 N THR A 107 -0.847 6.942 -2.955 1.00 0.00 N ATOM 1653 CA THR A 107 -0.676 7.328 -4.350 1.00 0.00 C ATOM 1654 C THR A 107 -1.504 8.564 -4.684 1.00 0.00 C ATOM 1655 O THR A 107 -1.123 9.365 -5.536 1.00 0.00 O ATOM 1656 CB THR A 107 -1.074 6.185 -5.303 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.394 6.332 -6.555 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.577 6.172 -5.534 1.00 0.00 C ATOM 0 H THR A 107 -0.997 5.944 -2.809 1.00 0.00 H new ATOM 0 HA THR A 107 0.381 7.554 -4.487 1.00 0.00 H new ATOM 0 HB THR A 107 -0.786 5.240 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.325 7.283 -6.780 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.834 5.357 -6.210 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.090 6.030 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.886 7.120 -5.975 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.638 8.712 -4.005 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.519 9.851 -4.231 1.00 0.00 C ATOM 1668 C GLU A 108 -2.991 11.096 -3.525 1.00 0.00 C ATOM 1669 O GLU A 108 -3.148 12.214 -4.014 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.934 9.535 -3.741 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.808 10.765 -3.570 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.264 11.346 -4.895 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.143 10.735 -5.539 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -5.742 12.409 -5.289 1.00 0.00 O ATOM 0 H GLU A 108 -2.967 8.058 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.549 10.047 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.411 8.856 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.870 9.010 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.681 10.505 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.256 11.524 -3.015 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.365 10.893 -2.370 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.812 11.998 -1.597 1.00 0.00 C ATOM 1683 C ALA A 109 -0.592 12.597 -2.289 1.00 0.00 C ATOM 1684 O ALA A 109 -0.418 13.815 -2.317 1.00 0.00 O ATOM 1685 CB ALA A 109 -1.449 11.531 -0.195 1.00 0.00 C ATOM 0 H ALA A 109 -2.228 9.974 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.573 12.775 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.037 12.366 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.342 11.157 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.708 10.734 -0.257 1.00 0.00 H new