USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=25 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 73 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 81 GLN : amide:sc= -0.623 X(o=-0.62,f=-1.1) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= -0.081 USER MOD Set 2.2: A 19 ASN : amide:sc= -4.21! C(o=-3.9!,f=-9!) USER MOD Set 2.3: A 22 THR OG1 : rot 88:sc= 0.352 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0.438 USER MOD Single : A 15 MET CE :methyl 145:sc= -1.38 (180deg=-3.57) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0297) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.8) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0877 K(o=-0.088,f=-1.6!) USER MOD Single : A 33 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.4!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.4) USER MOD Single : A 45 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.84) 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= 0.0064 USER MOD Single : A 70 HIS : no HE2:sc= -7.79 K(o=-7.8,f=-5.4!) USER MOD Single : A 71 THR OG1 : rot -34:sc= -0.731! 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 82 TYR OH : rot 180:sc= 0 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 93 GLN : amide:sc= -0.797 K(o=-0.8,f=-1.8!) USER MOD Single : A 94 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-5.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.61! K(o=-1.6!,f=0) USER MOD Single : A 102 CYS SG : rot -160:sc= 0.311 USER MOD Single : A 103 THR OG1 : rot -144:sc= 1.47 USER MOD Single : A 104 GLN : amide:sc= -0.802 K(o=-0.8,f=-2!) USER MOD Single : A 105 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.2) USER MOD Single : A 106 HIS : no HD1:sc= -3.26! K(o=-3.3!,f=-1.8) USER MOD Single : A 107 THR OG1 : rot -37:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.610 0.251 12.224 1.00 0.00 N ATOM 82 CA ASN A 9 -0.610 -0.612 11.605 1.00 0.00 C ATOM 83 C ASN A 9 -1.154 -2.025 11.416 1.00 0.00 C ATOM 84 O ASN A 9 -1.858 -2.551 12.278 1.00 0.00 O ATOM 85 CB ASN A 9 0.659 -0.652 12.460 1.00 0.00 C ATOM 86 CG ASN A 9 1.146 0.734 12.837 1.00 0.00 C ATOM 87 OD1 ASN A 9 1.824 1.400 12.055 1.00 0.00 O ATOM 88 ND2 ASN A 9 0.800 1.175 14.041 1.00 0.00 N ATOM 0 HA ASN A 9 -0.367 -0.201 10.625 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.465 -1.225 13.367 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.445 -1.174 11.915 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.098 2.100 14.350 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.237 0.588 14.657 1.00 0.00 H new ATOM 95 N VAL A 10 -0.821 -2.634 10.282 1.00 0.00 N ATOM 96 CA VAL A 10 -1.274 -3.987 9.980 1.00 0.00 C ATOM 97 C VAL A 10 -0.094 -4.938 9.815 1.00 0.00 C ATOM 98 O VAL A 10 0.786 -4.714 8.982 1.00 0.00 O ATOM 99 CB VAL A 10 -2.128 -4.019 8.699 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.757 -5.392 8.510 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.196 -2.937 8.744 1.00 0.00 C ATOM 0 H VAL A 10 -0.240 -2.212 9.558 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.884 -4.313 10.823 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.479 -3.822 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.357 -5.395 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.972 -6.144 8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.393 -5.621 9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.790 -2.974 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.844 -3.101 9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.721 -1.960 8.828 1.00 0.00 H new ATOM 111 N TYR A 11 -0.081 -5.999 10.613 1.00 0.00 N ATOM 112 CA TYR A 11 0.993 -6.985 10.556 1.00 0.00 C ATOM 113 C TYR A 11 0.436 -8.403 10.636 1.00 0.00 C ATOM 114 O TYR A 11 -0.691 -8.615 11.082 1.00 0.00 O ATOM 115 CB TYR A 11 1.988 -6.751 11.695 1.00 0.00 C ATOM 116 CG TYR A 11 1.361 -6.150 12.933 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.194 -6.679 13.471 1.00 0.00 C ATOM 118 CD2 TYR A 11 1.935 -5.054 13.564 1.00 0.00 C ATOM 119 CE1 TYR A 11 -0.383 -6.133 14.601 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.366 -4.502 14.695 1.00 0.00 C ATOM 121 CZ TYR A 11 0.208 -5.045 15.210 1.00 0.00 C ATOM 122 OH TYR A 11 -0.363 -4.498 16.336 1.00 0.00 O ATOM 0 H TYR A 11 -0.801 -6.199 11.307 1.00 0.00 H new ATOM 0 HA TYR A 11 1.508 -6.870 9.602 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.455 -7.700 11.959 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.782 -6.092 11.343 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.270 -7.532 12.997 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.842 -4.626 13.163 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.291 -6.555 15.005 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.826 -3.650 15.173 1.00 0.00 H new ATOM 0 HH TYR A 11 0.177 -3.740 16.641 1.00 0.00 H new ATOM 132 N GLY A 12 1.236 -9.371 10.199 1.00 0.00 N ATOM 133 CA GLY A 12 0.807 -10.757 10.229 1.00 0.00 C ATOM 134 C GLY A 12 1.837 -11.696 9.633 1.00 0.00 C ATOM 135 O GLY A 12 2.625 -11.299 8.773 1.00 0.00 O ATOM 0 H GLY A 12 2.173 -9.220 9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.606 -11.050 11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.130 -10.856 9.681 1.00 0.00 H new ATOM 139 N TYR A 13 1.834 -12.943 10.090 1.00 0.00 N ATOM 140 CA TYR A 13 2.778 -13.939 9.598 1.00 0.00 C ATOM 141 C TYR A 13 2.283 -14.563 8.297 1.00 0.00 C ATOM 142 O TYR A 13 1.433 -15.455 8.305 1.00 0.00 O ATOM 143 CB TYR A 13 2.994 -15.029 10.649 1.00 0.00 C ATOM 144 CG TYR A 13 4.115 -14.724 11.617 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.143 -13.528 12.323 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.147 -15.631 11.824 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.166 -13.244 13.207 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.173 -15.357 12.707 1.00 0.00 C ATOM 149 CZ TYR A 13 6.178 -14.162 13.396 1.00 0.00 C ATOM 150 OH TYR A 13 7.199 -13.884 14.276 1.00 0.00 O ATOM 0 H TYR A 13 1.188 -13.288 10.800 1.00 0.00 H new ATOM 0 HA TYR A 13 3.726 -13.439 9.402 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.070 -15.170 11.209 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.207 -15.971 10.144 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.351 -12.808 12.178 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.147 -16.567 11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.173 -12.309 13.747 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.967 -16.074 12.857 1.00 0.00 H new ATOM 0 HH TYR A 13 7.829 -14.634 14.293 1.00 0.00 H new ATOM 160 N LEU A 14 2.822 -14.089 7.179 1.00 0.00 N ATOM 161 CA LEU A 14 2.438 -14.599 5.868 1.00 0.00 C ATOM 162 C LEU A 14 3.516 -15.520 5.304 1.00 0.00 C ATOM 163 O LEU A 14 4.587 -15.669 5.891 1.00 0.00 O ATOM 164 CB LEU A 14 2.185 -13.441 4.902 1.00 0.00 C ATOM 165 CG LEU A 14 1.351 -12.281 5.449 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.733 -10.979 4.762 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.134 -12.563 5.274 1.00 0.00 C ATOM 0 H LEU A 14 3.527 -13.352 7.155 1.00 0.00 H new ATOM 0 HA LEU A 14 1.519 -15.174 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.148 -13.048 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.686 -13.835 4.017 1.00 0.00 H new ATOM 0 HG LEU A 14 1.558 -12.180 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.130 -10.165 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.788 -10.770 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.555 -11.067 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.712 -11.727 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.358 -12.691 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.398 -13.473 5.813 1.00 0.00 H new ATOM 179 N MET A 15 3.225 -16.132 4.161 1.00 0.00 N ATOM 180 CA MET A 15 4.172 -17.036 3.517 1.00 0.00 C ATOM 181 C MET A 15 4.664 -16.454 2.195 1.00 0.00 C ATOM 182 O MET A 15 3.872 -16.173 1.295 1.00 0.00 O ATOM 183 CB MET A 15 3.524 -18.401 3.277 1.00 0.00 C ATOM 184 CG MET A 15 3.095 -19.103 4.555 1.00 0.00 C ATOM 185 SD MET A 15 2.967 -20.890 4.357 1.00 0.00 S ATOM 186 CE MET A 15 4.691 -21.366 4.453 1.00 0.00 C ATOM 0 H MET A 15 2.343 -16.019 3.662 1.00 0.00 H new ATOM 0 HA MET A 15 5.028 -17.160 4.181 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.654 -18.273 2.633 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.227 -19.038 2.740 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.811 -18.879 5.346 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.132 -18.707 4.876 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.775 -22.331 4.954 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.104 -21.442 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.245 -20.615 5.017 1.00 0.00 H new ATOM 196 N LYS A 16 5.976 -16.276 2.085 1.00 0.00 N ATOM 197 CA LYS A 16 6.575 -15.729 0.874 1.00 0.00 C ATOM 198 C LYS A 16 7.296 -16.817 0.084 1.00 0.00 C ATOM 199 O LYS A 16 7.952 -17.684 0.661 1.00 0.00 O ATOM 200 CB LYS A 16 7.554 -14.606 1.226 1.00 0.00 C ATOM 201 CG LYS A 16 7.737 -13.588 0.114 1.00 0.00 C ATOM 202 CD LYS A 16 8.807 -12.567 0.464 1.00 0.00 C ATOM 203 CE LYS A 16 8.968 -11.530 -0.637 1.00 0.00 C ATOM 204 NZ LYS A 16 9.572 -12.115 -1.866 1.00 0.00 N ATOM 0 H LYS A 16 6.645 -16.503 2.821 1.00 0.00 H new ATOM 0 HA LYS A 16 5.775 -15.324 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.200 -14.094 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.522 -15.043 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.010 -14.100 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.792 -13.077 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.546 -12.070 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.757 -13.075 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.995 -11.103 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.594 -10.713 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.775 -11.357 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.456 -12.604 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.908 -12.794 -2.290 1.00 0.00 H new ATOM 218 N TYR A 17 7.170 -16.764 -1.237 1.00 0.00 N ATOM 219 CA TYR A 17 7.808 -17.745 -2.106 1.00 0.00 C ATOM 220 C TYR A 17 9.303 -17.469 -2.233 1.00 0.00 C ATOM 221 O TYR A 17 9.721 -16.560 -2.952 1.00 0.00 O ATOM 222 CB TYR A 17 7.157 -17.734 -3.490 1.00 0.00 C ATOM 223 CG TYR A 17 7.195 -19.074 -4.188 1.00 0.00 C ATOM 224 CD1 TYR A 17 8.279 -19.438 -4.978 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.148 -19.978 -4.058 1.00 0.00 C ATOM 226 CE1 TYR A 17 8.318 -20.661 -5.618 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.179 -21.204 -4.694 1.00 0.00 C ATOM 228 CZ TYR A 17 7.266 -21.541 -5.473 1.00 0.00 C ATOM 229 OH TYR A 17 7.302 -22.761 -6.109 1.00 0.00 O ATOM 0 H TYR A 17 6.631 -16.052 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 17 7.675 -18.730 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.120 -17.414 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.660 -16.995 -4.113 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.105 -18.752 -5.093 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.295 -19.718 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.168 -20.927 -6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.356 -21.895 -4.582 1.00 0.00 H new ATOM 0 HH TYR A 17 6.485 -23.262 -5.903 1.00 0.00 H new ATOM 239 N THR A 18 10.107 -18.261 -1.530 1.00 0.00 N ATOM 240 CA THR A 18 11.556 -18.103 -1.563 1.00 0.00 C ATOM 241 C THR A 18 12.147 -18.715 -2.827 1.00 0.00 C ATOM 242 O THR A 18 13.037 -18.138 -3.450 1.00 0.00 O ATOM 243 CB THR A 18 12.219 -18.753 -0.333 1.00 0.00 C ATOM 244 OG1 THR A 18 13.630 -18.509 -0.352 1.00 0.00 O ATOM 245 CG2 THR A 18 11.959 -20.251 -0.306 1.00 0.00 C ATOM 0 H THR A 18 9.779 -19.018 -0.931 1.00 0.00 H new ATOM 0 HA THR A 18 11.758 -17.032 -1.553 1.00 0.00 H new ATOM 0 HB THR A 18 11.785 -18.309 0.563 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.044 -18.924 0.433 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.437 -20.687 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.885 -20.433 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.368 -20.708 -1.207 1.00 0.00 H new ATOM 253 N ASN A 19 11.645 -19.887 -3.203 1.00 0.00 N ATOM 254 CA ASN A 19 12.125 -20.578 -4.395 1.00 0.00 C ATOM 255 C ASN A 19 11.279 -21.814 -4.684 1.00 0.00 C ATOM 256 O ASN A 19 10.296 -22.083 -3.993 1.00 0.00 O ATOM 257 CB ASN A 19 13.591 -20.978 -4.222 1.00 0.00 C ATOM 258 CG ASN A 19 13.891 -21.489 -2.826 1.00 0.00 C ATOM 259 OD1 ASN A 19 13.547 -22.619 -2.479 1.00 0.00 O ATOM 260 ND2 ASN A 19 14.535 -20.656 -2.017 1.00 0.00 N ATOM 0 H ASN A 19 10.906 -20.378 -2.700 1.00 0.00 H new ATOM 0 HA ASN A 19 12.039 -19.895 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.842 -21.749 -4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.227 -20.119 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.764 -20.944 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.801 -19.728 -2.347 1.00 0.00 H new ATOM 267 N LEU A 20 11.668 -22.563 -5.710 1.00 0.00 N ATOM 268 CA LEU A 20 10.947 -23.772 -6.092 1.00 0.00 C ATOM 269 C LEU A 20 11.245 -24.912 -5.123 1.00 0.00 C ATOM 270 O LEU A 20 10.346 -25.422 -4.453 1.00 0.00 O ATOM 271 CB LEU A 20 11.323 -24.186 -7.516 1.00 0.00 C ATOM 272 CG LEU A 20 10.376 -25.173 -8.200 1.00 0.00 C ATOM 273 CD1 LEU A 20 10.345 -24.929 -9.701 1.00 0.00 C ATOM 274 CD2 LEU A 20 10.791 -26.606 -7.898 1.00 0.00 C ATOM 0 H LEU A 20 12.479 -22.354 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 20 9.879 -23.556 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.385 -23.287 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.320 -24.626 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 20 9.372 -25.017 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.666 -25.640 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.000 -23.914 -9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.347 -25.058 -10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.106 -27.295 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.804 -26.776 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.761 -26.774 -6.822 1.00 0.00 H new ATOM 286 N VAL A 21 12.512 -25.307 -5.053 1.00 0.00 N ATOM 287 CA VAL A 21 12.929 -26.384 -4.164 1.00 0.00 C ATOM 288 C VAL A 21 12.193 -26.314 -2.831 1.00 0.00 C ATOM 289 O VAL A 21 11.573 -27.286 -2.399 1.00 0.00 O ATOM 290 CB VAL A 21 14.447 -26.340 -3.902 1.00 0.00 C ATOM 291 CG1 VAL A 21 14.872 -24.949 -3.457 1.00 0.00 C ATOM 292 CG2 VAL A 21 14.838 -27.383 -2.866 1.00 0.00 C ATOM 0 H VAL A 21 13.268 -24.897 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 21 12.680 -27.320 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 21 14.966 -26.572 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.947 -24.937 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.627 -24.227 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.347 -24.684 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.913 -27.338 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.311 -27.184 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.570 -28.375 -3.229 1.00 0.00 H new ATOM 302 N THR A 22 12.263 -25.155 -2.182 1.00 0.00 N ATOM 303 CA THR A 22 11.604 -24.957 -0.898 1.00 0.00 C ATOM 304 C THR A 22 10.103 -24.754 -1.076 1.00 0.00 C ATOM 305 O THR A 22 9.296 -25.466 -0.479 1.00 0.00 O ATOM 306 CB THR A 22 12.188 -23.745 -0.148 1.00 0.00 C ATOM 307 OG1 THR A 22 13.594 -23.926 0.055 1.00 0.00 O ATOM 308 CG2 THR A 22 11.498 -23.555 1.194 1.00 0.00 C ATOM 0 H THR A 22 12.770 -24.339 -2.526 1.00 0.00 H new ATOM 0 HA THR A 22 11.779 -25.858 -0.310 1.00 0.00 H new ATOM 0 HB THR A 22 12.020 -22.855 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.084 -23.575 -0.718 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.927 -22.693 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.433 -23.389 1.035 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.639 -24.447 1.805 1.00 0.00 H new ATOM 316 N GLY A 23 9.736 -23.779 -1.902 1.00 0.00 N ATOM 317 CA GLY A 23 8.332 -23.501 -2.144 1.00 0.00 C ATOM 318 C GLY A 23 7.855 -22.257 -1.421 1.00 0.00 C ATOM 319 O GLY A 23 8.049 -21.140 -1.899 1.00 0.00 O ATOM 0 H GLY A 23 10.386 -23.177 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.168 -23.381 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.735 -24.355 -1.824 1.00 0.00 H new ATOM 323 N TRP A 24 7.226 -22.451 -0.267 1.00 0.00 N ATOM 324 CA TRP A 24 6.717 -21.335 0.523 1.00 0.00 C ATOM 325 C TRP A 24 7.367 -21.303 1.902 1.00 0.00 C ATOM 326 O TRP A 24 7.461 -22.328 2.576 1.00 0.00 O ATOM 327 CB TRP A 24 5.198 -21.434 0.663 1.00 0.00 C ATOM 328 CG TRP A 24 4.471 -21.311 -0.642 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.444 -22.227 -1.655 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.670 -20.207 -1.076 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.673 -21.759 -2.691 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.186 -20.522 -2.361 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.311 -18.983 -0.503 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.365 -19.657 -3.080 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.497 -18.126 -1.218 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.030 -18.466 -2.495 1.00 0.00 C ATOM 0 H TRP A 24 7.056 -23.370 0.142 1.00 0.00 H new ATOM 0 HA TRP A 24 6.967 -20.410 0.003 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.944 -22.389 1.123 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.851 -20.652 1.339 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.954 -23.179 -1.643 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.492 -22.253 -3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.664 -18.712 0.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.005 -19.917 -4.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.216 -17.177 -0.785 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.394 -17.775 -3.028 1.00 0.00 H new ATOM 347 N GLN A 25 7.812 -20.121 2.315 1.00 0.00 N ATOM 348 CA GLN A 25 8.453 -19.958 3.614 1.00 0.00 C ATOM 349 C GLN A 25 7.677 -18.974 4.484 1.00 0.00 C ATOM 350 O GLN A 25 7.106 -18.004 3.984 1.00 0.00 O ATOM 351 CB GLN A 25 9.894 -19.475 3.439 1.00 0.00 C ATOM 352 CG GLN A 25 10.865 -20.583 3.066 1.00 0.00 C ATOM 353 CD GLN A 25 11.456 -21.275 4.278 1.00 0.00 C ATOM 354 OE1 GLN A 25 10.894 -21.221 5.373 1.00 0.00 O ATOM 355 NE2 GLN A 25 12.596 -21.929 4.090 1.00 0.00 N ATOM 0 H GLN A 25 7.740 -19.262 1.769 1.00 0.00 H new ATOM 0 HA GLN A 25 8.460 -20.928 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.919 -18.706 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.227 -19.008 4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.350 -21.319 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.671 -20.166 2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.027 -21.948 3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.041 -22.413 4.870 1.00 0.00 H new ATOM 364 N TYR A 26 7.660 -19.231 5.787 1.00 0.00 N ATOM 365 CA TYR A 26 6.951 -18.369 6.726 1.00 0.00 C ATOM 366 C TYR A 26 7.780 -17.134 7.065 1.00 0.00 C ATOM 367 O TYR A 26 8.920 -17.242 7.517 1.00 0.00 O ATOM 368 CB TYR A 26 6.618 -19.139 8.005 1.00 0.00 C ATOM 369 CG TYR A 26 5.563 -20.205 7.813 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.247 -19.864 7.528 1.00 0.00 C ATOM 371 CD2 TYR A 26 5.883 -21.553 7.916 1.00 0.00 C ATOM 372 CE1 TYR A 26 3.279 -20.835 7.352 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.923 -22.531 7.740 1.00 0.00 C ATOM 374 CZ TYR A 26 3.622 -22.167 7.459 1.00 0.00 C ATOM 375 OH TYR A 26 2.662 -23.136 7.283 1.00 0.00 O ATOM 0 H TYR A 26 8.129 -20.028 6.217 1.00 0.00 H new ATOM 0 HA TYR A 26 6.024 -18.044 6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.527 -19.604 8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.277 -18.435 8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.975 -18.822 7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.900 -21.841 8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.260 -20.553 7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.189 -23.574 7.822 1.00 0.00 H new ATOM 0 HH TYR A 26 3.068 -24.022 7.390 1.00 0.00 H new ATOM 385 N ARG A 27 7.198 -15.960 6.842 1.00 0.00 N ATOM 386 CA ARG A 27 7.882 -14.703 7.122 1.00 0.00 C ATOM 387 C ARG A 27 6.926 -13.692 7.748 1.00 0.00 C ATOM 388 O ARG A 27 5.718 -13.737 7.515 1.00 0.00 O ATOM 389 CB ARG A 27 8.483 -14.128 5.839 1.00 0.00 C ATOM 390 CG ARG A 27 9.833 -14.724 5.477 1.00 0.00 C ATOM 391 CD ARG A 27 10.973 -13.964 6.138 1.00 0.00 C ATOM 392 NE ARG A 27 12.221 -14.089 5.389 1.00 0.00 N ATOM 393 CZ ARG A 27 12.913 -15.219 5.299 1.00 0.00 C ATOM 394 NH1 ARG A 27 12.481 -16.315 5.907 1.00 0.00 N ATOM 395 NH2 ARG A 27 14.040 -15.254 4.599 1.00 0.00 N ATOM 0 H ARG A 27 6.255 -15.853 6.468 1.00 0.00 H new ATOM 0 HA ARG A 27 8.685 -14.905 7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.789 -14.296 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.590 -13.049 5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.865 -15.769 5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.962 -14.706 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.705 -12.911 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.119 -14.339 7.151 1.00 0.00 H new ATOM 0 HE ARG A 27 12.580 -13.264 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.615 -16.292 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.014 -17.181 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.375 -14.413 4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.571 -16.122 4.530 1.00 0.00 H new ATOM 409 N PHE A 28 7.475 -12.779 8.542 1.00 0.00 N ATOM 410 CA PHE A 28 6.671 -11.757 9.202 1.00 0.00 C ATOM 411 C PHE A 28 6.613 -10.484 8.362 1.00 0.00 C ATOM 412 O PHE A 28 7.599 -10.095 7.736 1.00 0.00 O ATOM 413 CB PHE A 28 7.244 -11.442 10.586 1.00 0.00 C ATOM 414 CG PHE A 28 6.504 -10.352 11.307 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.133 -10.434 11.494 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.179 -9.247 11.799 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.450 -9.432 12.157 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.501 -8.242 12.463 1.00 0.00 C ATOM 419 CZ PHE A 28 5.135 -8.335 12.643 1.00 0.00 C ATOM 0 H PHE A 28 8.473 -12.726 8.744 1.00 0.00 H new ATOM 0 HA PHE A 28 5.658 -12.144 9.315 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.224 -12.347 11.193 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.289 -11.152 10.480 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.593 -11.290 11.118 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.248 -9.170 11.662 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.381 -9.506 12.295 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.039 -7.385 12.841 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.603 -7.552 13.163 1.00 0.00 H new ATOM 429 N PHE A 29 5.450 -9.841 8.354 1.00 0.00 N ATOM 430 CA PHE A 29 5.261 -8.614 7.590 1.00 0.00 C ATOM 431 C PHE A 29 4.622 -7.529 8.452 1.00 0.00 C ATOM 432 O PHE A 29 3.730 -7.804 9.255 1.00 0.00 O ATOM 433 CB PHE A 29 4.391 -8.882 6.360 1.00 0.00 C ATOM 434 CG PHE A 29 5.045 -9.775 5.346 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.219 -11.126 5.603 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.485 -9.265 4.135 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.822 -11.950 4.671 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.088 -10.085 3.199 1.00 0.00 C ATOM 439 CZ PHE A 29 6.256 -11.429 3.468 1.00 0.00 C ATOM 0 H PHE A 29 4.625 -10.149 8.868 1.00 0.00 H new ATOM 0 HA PHE A 29 6.241 -8.265 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.453 -9.335 6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.141 -7.932 5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.880 -11.539 6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.355 -8.215 3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.954 -13.001 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.427 -9.675 2.259 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.726 -12.072 2.739 1.00 0.00 H new ATOM 449 N VAL A 30 5.086 -6.295 8.281 1.00 0.00 N ATOM 450 CA VAL A 30 4.561 -5.169 9.043 1.00 0.00 C ATOM 451 C VAL A 30 4.307 -3.966 8.141 1.00 0.00 C ATOM 452 O VAL A 30 5.236 -3.249 7.768 1.00 0.00 O ATOM 453 CB VAL A 30 5.525 -4.756 10.171 1.00 0.00 C ATOM 454 CG1 VAL A 30 4.979 -3.553 10.926 1.00 0.00 C ATOM 455 CG2 VAL A 30 5.770 -5.923 11.115 1.00 0.00 C ATOM 0 H VAL A 30 5.824 -6.050 7.621 1.00 0.00 H new ATOM 0 HA VAL A 30 3.619 -5.496 9.482 1.00 0.00 H new ATOM 0 HB VAL A 30 6.479 -4.472 9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.673 -3.275 11.719 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.860 -2.716 10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.012 -3.805 11.362 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.453 -5.614 11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.824 -6.239 11.555 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.208 -6.753 10.561 1.00 0.00 H new ATOM 465 N LEU A 31 3.043 -3.751 7.793 1.00 0.00 N ATOM 466 CA LEU A 31 2.665 -2.634 6.934 1.00 0.00 C ATOM 467 C LEU A 31 2.871 -1.303 7.650 1.00 0.00 C ATOM 468 O LEU A 31 2.683 -1.202 8.861 1.00 0.00 O ATOM 469 CB LEU A 31 1.205 -2.771 6.499 1.00 0.00 C ATOM 470 CG LEU A 31 0.615 -1.579 5.745 1.00 0.00 C ATOM 471 CD1 LEU A 31 0.970 -1.652 4.268 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.895 -1.524 5.931 1.00 0.00 C ATOM 0 H LEU A 31 2.262 -4.335 8.092 1.00 0.00 H new ATOM 0 HA LEU A 31 3.304 -2.654 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.116 -3.655 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.598 -2.951 7.386 1.00 0.00 H new ATOM 0 HG LEU A 31 1.045 -0.665 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.541 -0.795 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.054 -1.641 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.570 -2.572 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.298 -0.669 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.342 -2.441 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.128 -1.422 6.991 1.00 0.00 H new ATOM 484 N ASN A 32 3.258 -0.282 6.891 1.00 0.00 N ATOM 485 CA ASN A 32 3.488 1.044 7.452 1.00 0.00 C ATOM 486 C ASN A 32 2.505 2.057 6.874 1.00 0.00 C ATOM 487 O ASN A 32 2.528 2.347 5.679 1.00 0.00 O ATOM 488 CB ASN A 32 4.924 1.495 7.177 1.00 0.00 C ATOM 489 CG ASN A 32 5.886 1.055 8.264 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.517 0.309 9.171 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.128 1.517 8.176 1.00 0.00 N ATOM 0 H ASN A 32 3.419 -0.348 5.886 1.00 0.00 H new ATOM 0 HA ASN A 32 3.332 0.988 8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.252 1.090 6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.951 2.581 7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.820 1.256 8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.390 2.133 7.406 1.00 0.00 H new ATOM 498 N ASN A 33 1.644 2.594 7.732 1.00 0.00 N ATOM 499 CA ASN A 33 0.652 3.575 7.307 1.00 0.00 C ATOM 500 C ASN A 33 1.233 4.986 7.344 1.00 0.00 C ATOM 501 O ASN A 33 0.921 5.818 6.493 1.00 0.00 O ATOM 502 CB ASN A 33 -0.588 3.498 8.200 1.00 0.00 C ATOM 503 CG ASN A 33 -1.624 4.546 7.841 1.00 0.00 C ATOM 504 OD1 ASN A 33 -1.285 5.654 7.426 1.00 0.00 O ATOM 505 ND2 ASN A 33 -2.896 4.198 8.000 1.00 0.00 N ATOM 0 H ASN A 33 1.613 2.366 8.726 1.00 0.00 H new ATOM 0 HA ASN A 33 0.366 3.345 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.033 2.507 8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.291 3.626 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.638 4.861 7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.131 3.268 8.347 1.00 0.00 H new ATOM 512 N GLU A 34 2.079 5.246 8.336 1.00 0.00 N ATOM 513 CA GLU A 34 2.703 6.556 8.483 1.00 0.00 C ATOM 514 C GLU A 34 3.647 6.842 7.320 1.00 0.00 C ATOM 515 O GLU A 34 3.720 7.968 6.828 1.00 0.00 O ATOM 516 CB GLU A 34 3.467 6.635 9.807 1.00 0.00 C ATOM 517 CG GLU A 34 4.478 5.517 9.994 1.00 0.00 C ATOM 518 CD GLU A 34 5.266 5.652 11.283 1.00 0.00 C ATOM 519 OE1 GLU A 34 5.981 6.664 11.437 1.00 0.00 O ATOM 520 OE2 GLU A 34 5.167 4.746 12.137 1.00 0.00 O ATOM 0 H GLU A 34 2.348 4.568 9.049 1.00 0.00 H new ATOM 0 HA GLU A 34 1.915 7.309 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.983 7.593 9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.753 6.610 10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.959 4.558 9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.168 5.511 9.150 1.00 0.00 H new ATOM 527 N ALA A 35 4.370 5.815 6.886 1.00 0.00 N ATOM 528 CA ALA A 35 5.310 5.956 5.780 1.00 0.00 C ATOM 529 C ALA A 35 4.690 5.481 4.470 1.00 0.00 C ATOM 530 O ALA A 35 4.771 6.165 3.450 1.00 0.00 O ATOM 531 CB ALA A 35 6.588 5.184 6.072 1.00 0.00 C ATOM 0 H ALA A 35 4.323 4.877 7.283 1.00 0.00 H new ATOM 0 HA ALA A 35 5.554 7.013 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.281 5.298 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.048 5.572 6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.353 4.128 6.206 1.00 0.00 H new ATOM 537 N GLY A 36 4.072 4.304 4.505 1.00 0.00 N ATOM 538 CA GLY A 36 3.449 3.758 3.313 1.00 0.00 C ATOM 539 C GLY A 36 4.330 2.746 2.610 1.00 0.00 C ATOM 540 O GLY A 36 4.282 2.614 1.386 1.00 0.00 O ATOM 0 H GLY A 36 3.992 3.719 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.504 3.286 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.214 4.570 2.625 1.00 0.00 H new ATOM 544 N LEU A 37 5.139 2.030 3.383 1.00 0.00 N ATOM 545 CA LEU A 37 6.038 1.025 2.826 1.00 0.00 C ATOM 546 C LEU A 37 5.767 -0.346 3.438 1.00 0.00 C ATOM 547 O LEU A 37 5.460 -0.458 4.626 1.00 0.00 O ATOM 548 CB LEU A 37 7.495 1.425 3.067 1.00 0.00 C ATOM 549 CG LEU A 37 8.148 2.271 1.974 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.223 3.170 2.565 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.733 1.380 0.888 1.00 0.00 C ATOM 0 H LEU A 37 5.191 2.127 4.397 1.00 0.00 H new ATOM 0 HA LEU A 37 5.857 0.966 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.549 1.976 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.084 0.517 3.196 1.00 0.00 H new ATOM 0 HG LEU A 37 7.382 2.903 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.677 3.765 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.776 3.833 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.988 2.557 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.194 1.999 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.485 0.722 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.939 0.779 0.444 1.00 0.00 H new ATOM 563 N LEU A 38 5.885 -1.387 2.621 1.00 0.00 N ATOM 564 CA LEU A 38 5.655 -2.752 3.082 1.00 0.00 C ATOM 565 C LEU A 38 6.975 -3.453 3.385 1.00 0.00 C ATOM 566 O LEU A 38 7.774 -3.708 2.484 1.00 0.00 O ATOM 567 CB LEU A 38 4.874 -3.541 2.030 1.00 0.00 C ATOM 568 CG LEU A 38 4.735 -5.043 2.285 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.754 -5.303 3.418 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.291 -5.760 1.018 1.00 0.00 C ATOM 0 H LEU A 38 6.139 -1.312 1.636 1.00 0.00 H new ATOM 0 HA LEU A 38 5.070 -2.706 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.875 -3.112 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.359 -3.400 1.064 1.00 0.00 H new ATOM 0 HG LEU A 38 5.709 -5.434 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.668 -6.377 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.113 -4.822 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.777 -4.897 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.197 -6.827 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.328 -5.365 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.030 -5.601 0.232 1.00 0.00 H new ATOM 582 N GLU A 39 7.195 -3.764 4.658 1.00 0.00 N ATOM 583 CA GLU A 39 8.418 -4.438 5.079 1.00 0.00 C ATOM 584 C GLU A 39 8.114 -5.834 5.614 1.00 0.00 C ATOM 585 O GLU A 39 6.961 -6.167 5.890 1.00 0.00 O ATOM 586 CB GLU A 39 9.138 -3.615 6.149 1.00 0.00 C ATOM 587 CG GLU A 39 8.920 -2.118 6.015 1.00 0.00 C ATOM 588 CD GLU A 39 9.751 -1.316 6.997 1.00 0.00 C ATOM 589 OE1 GLU A 39 9.678 -1.604 8.210 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.476 -0.401 6.553 1.00 0.00 O ATOM 0 H GLU A 39 6.543 -3.560 5.416 1.00 0.00 H new ATOM 0 HA GLU A 39 9.067 -4.535 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.797 -3.937 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.207 -3.824 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.166 -1.809 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.865 -1.893 6.170 1.00 0.00 H new ATOM 597 N TYR A 40 9.155 -6.646 5.758 1.00 0.00 N ATOM 598 CA TYR A 40 8.999 -8.007 6.258 1.00 0.00 C ATOM 599 C TYR A 40 10.304 -8.519 6.860 1.00 0.00 C ATOM 600 O TYR A 40 11.349 -8.507 6.210 1.00 0.00 O ATOM 601 CB TYR A 40 8.546 -8.938 5.131 1.00 0.00 C ATOM 602 CG TYR A 40 9.662 -9.345 4.196 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.578 -10.323 4.562 1.00 0.00 C ATOM 604 CD2 TYR A 40 9.799 -8.753 2.947 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.600 -10.698 3.711 1.00 0.00 C ATOM 606 CE2 TYR A 40 10.817 -9.123 2.089 1.00 0.00 C ATOM 607 CZ TYR A 40 11.715 -10.096 2.476 1.00 0.00 C ATOM 608 OH TYR A 40 12.730 -10.467 1.625 1.00 0.00 O ATOM 0 H TYR A 40 10.116 -6.386 5.536 1.00 0.00 H new ATOM 0 HA TYR A 40 8.239 -7.995 7.039 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.104 -9.834 5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.763 -8.444 4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.490 -10.798 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.098 -7.991 2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.305 -11.459 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.909 -8.653 1.121 1.00 0.00 H new ATOM 0 HH TYR A 40 12.668 -9.948 0.796 1.00 0.00 H new ATOM 618 N PHE A 41 10.235 -8.969 8.109 1.00 0.00 N ATOM 619 CA PHE A 41 11.410 -9.485 8.802 1.00 0.00 C ATOM 620 C PHE A 41 11.287 -10.988 9.034 1.00 0.00 C ATOM 621 O PHE A 41 10.197 -11.554 8.954 1.00 0.00 O ATOM 622 CB PHE A 41 11.597 -8.765 10.139 1.00 0.00 C ATOM 623 CG PHE A 41 11.484 -7.271 10.035 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.258 -6.644 10.187 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.603 -6.493 9.787 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.151 -5.269 10.092 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.503 -5.118 9.691 1.00 0.00 C ATOM 628 CZ PHE A 41 11.275 -4.505 9.845 1.00 0.00 C ATOM 0 H PHE A 41 9.378 -8.987 8.662 1.00 0.00 H new ATOM 0 HA PHE A 41 12.282 -9.302 8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.852 -9.130 10.846 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.575 -9.020 10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.376 -7.236 10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.566 -6.967 9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.189 -4.792 10.211 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.384 -4.524 9.496 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.194 -3.431 9.772 1.00 0.00 H new ATOM 638 N VAL A 42 12.415 -11.630 9.322 1.00 0.00 N ATOM 639 CA VAL A 42 12.436 -13.068 9.567 1.00 0.00 C ATOM 640 C VAL A 42 11.439 -13.454 10.653 1.00 0.00 C ATOM 641 O VAL A 42 10.919 -14.569 10.664 1.00 0.00 O ATOM 642 CB VAL A 42 13.840 -13.547 9.980 1.00 0.00 C ATOM 643 CG1 VAL A 42 13.840 -15.047 10.231 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.863 -13.175 8.917 1.00 0.00 C ATOM 0 H VAL A 42 13.326 -11.177 9.391 1.00 0.00 H new ATOM 0 HA VAL A 42 12.156 -13.553 8.632 1.00 0.00 H new ATOM 0 HB VAL A 42 14.117 -13.048 10.909 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.841 -15.367 10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.137 -15.282 11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.542 -15.568 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.850 -13.521 9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.592 -13.645 7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.881 -12.092 8.792 1.00 0.00 H new ATOM 654 N ASN A 43 11.176 -12.525 11.566 1.00 0.00 N ATOM 655 CA ASN A 43 10.241 -12.768 12.658 1.00 0.00 C ATOM 656 C ASN A 43 9.968 -11.485 13.437 1.00 0.00 C ATOM 657 O ASN A 43 10.572 -10.447 13.172 1.00 0.00 O ATOM 658 CB ASN A 43 10.791 -13.842 13.599 1.00 0.00 C ATOM 659 CG ASN A 43 12.307 -13.849 13.644 1.00 0.00 C ATOM 660 OD1 ASN A 43 12.943 -14.860 13.348 1.00 0.00 O ATOM 661 ND2 ASN A 43 12.893 -12.717 14.017 1.00 0.00 N ATOM 0 H ASN A 43 11.598 -11.596 11.571 1.00 0.00 H new ATOM 0 HA ASN A 43 9.302 -13.117 12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.401 -13.676 14.603 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.435 -14.821 13.277 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.910 -12.662 14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.326 -11.903 14.254 1.00 0.00 H new ATOM 668 N GLU A 44 9.053 -11.566 14.398 1.00 0.00 N ATOM 669 CA GLU A 44 8.701 -10.411 15.215 1.00 0.00 C ATOM 670 C GLU A 44 9.840 -10.046 16.163 1.00 0.00 C ATOM 671 O GLU A 44 9.856 -8.959 16.740 1.00 0.00 O ATOM 672 CB GLU A 44 7.428 -10.694 16.016 1.00 0.00 C ATOM 673 CG GLU A 44 6.803 -9.451 16.626 1.00 0.00 C ATOM 674 CD GLU A 44 6.006 -9.753 17.880 1.00 0.00 C ATOM 675 OE1 GLU A 44 6.613 -10.196 18.877 1.00 0.00 O ATOM 676 OE2 GLU A 44 4.774 -9.546 17.863 1.00 0.00 O ATOM 0 H GLU A 44 8.543 -12.418 14.629 1.00 0.00 H new ATOM 0 HA GLU A 44 8.523 -9.568 14.548 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.698 -11.175 15.364 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.660 -11.402 16.812 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.588 -8.733 16.863 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.151 -8.979 15.891 1.00 0.00 H new ATOM 683 N GLN A 45 10.790 -10.963 16.317 1.00 0.00 N ATOM 684 CA GLN A 45 11.932 -10.739 17.195 1.00 0.00 C ATOM 685 C GLN A 45 12.941 -9.797 16.546 1.00 0.00 C ATOM 686 O GLN A 45 13.752 -9.173 17.231 1.00 0.00 O ATOM 687 CB GLN A 45 12.606 -12.068 17.541 1.00 0.00 C ATOM 688 CG GLN A 45 11.711 -13.020 18.317 1.00 0.00 C ATOM 689 CD GLN A 45 11.059 -12.362 19.517 1.00 0.00 C ATOM 690 OE1 GLN A 45 10.199 -11.493 19.372 1.00 0.00 O ATOM 691 NE2 GLN A 45 11.466 -12.773 20.712 1.00 0.00 N ATOM 0 H GLN A 45 10.791 -11.867 15.845 1.00 0.00 H new ATOM 0 HA GLN A 45 11.567 -10.276 18.112 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.927 -12.554 16.620 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.504 -11.869 18.126 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.937 -13.406 17.654 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.299 -13.874 18.651 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.182 -13.496 20.786 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.063 -12.366 21.556 1.00 0.00 H new ATOM 700 N SER A 46 12.885 -9.700 15.222 1.00 0.00 N ATOM 701 CA SER A 46 13.797 -8.837 14.480 1.00 0.00 C ATOM 702 C SER A 46 13.091 -7.563 14.026 1.00 0.00 C ATOM 703 O SER A 46 13.083 -7.234 12.839 1.00 0.00 O ATOM 704 CB SER A 46 14.362 -9.580 13.268 1.00 0.00 C ATOM 705 OG SER A 46 15.589 -9.010 12.847 1.00 0.00 O ATOM 0 H SER A 46 12.218 -10.208 14.641 1.00 0.00 H new ATOM 0 HA SER A 46 14.617 -8.561 15.143 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.512 -10.630 13.519 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.643 -9.548 12.450 1.00 0.00 H new ATOM 0 HG SER A 46 15.930 -9.504 12.072 1.00 0.00 H new ATOM 711 N ARG A 47 12.499 -6.851 14.979 1.00 0.00 N ATOM 712 CA ARG A 47 11.789 -5.613 14.678 1.00 0.00 C ATOM 713 C ARG A 47 12.768 -4.461 14.471 1.00 0.00 C ATOM 714 O ARG A 47 12.757 -3.803 13.432 1.00 0.00 O ATOM 715 CB ARG A 47 10.815 -5.272 15.807 1.00 0.00 C ATOM 716 CG ARG A 47 9.479 -5.988 15.695 1.00 0.00 C ATOM 717 CD ARG A 47 8.494 -5.200 14.845 1.00 0.00 C ATOM 718 NE ARG A 47 8.148 -3.919 15.454 1.00 0.00 N ATOM 719 CZ ARG A 47 7.256 -3.078 14.942 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.624 -3.383 13.817 1.00 0.00 N ATOM 721 NH2 ARG A 47 6.996 -1.931 15.555 1.00 0.00 N ATOM 0 H ARG A 47 12.497 -7.110 15.966 1.00 0.00 H new ATOM 0 HA ARG A 47 11.228 -5.760 13.755 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.275 -5.526 16.762 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.642 -4.196 15.813 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.630 -6.975 15.258 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.062 -6.140 16.690 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.924 -5.028 13.858 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.588 -5.789 14.700 1.00 0.00 H new ATOM 0 HE ARG A 47 8.617 -3.655 16.320 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.822 -4.264 13.343 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.939 -2.736 13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.481 -1.694 16.420 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.311 -1.286 15.161 1.00 0.00 H new ATOM 735 N ASN A 48 13.613 -4.223 15.469 1.00 0.00 N ATOM 736 CA ASN A 48 14.598 -3.150 15.397 1.00 0.00 C ATOM 737 C ASN A 48 15.438 -3.266 14.129 1.00 0.00 C ATOM 738 O ASN A 48 15.542 -2.316 13.353 1.00 0.00 O ATOM 739 CB ASN A 48 15.507 -3.180 16.628 1.00 0.00 C ATOM 740 CG ASN A 48 14.781 -2.765 17.893 1.00 0.00 C ATOM 741 OD1 ASN A 48 14.405 -1.603 18.053 1.00 0.00 O ATOM 742 ND2 ASN A 48 14.580 -3.715 18.799 1.00 0.00 N ATOM 0 H ASN A 48 13.635 -4.759 16.337 1.00 0.00 H new ATOM 0 HA ASN A 48 14.062 -2.201 15.371 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.908 -4.185 16.756 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.356 -2.516 16.465 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.097 -3.495 19.670 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.909 -4.664 18.624 1.00 0.00 H new ATOM 749 N GLN A 49 16.033 -4.437 13.925 1.00 0.00 N ATOM 750 CA GLN A 49 16.864 -4.677 12.750 1.00 0.00 C ATOM 751 C GLN A 49 16.161 -4.205 11.482 1.00 0.00 C ATOM 752 O GLN A 49 14.960 -3.932 11.489 1.00 0.00 O ATOM 753 CB GLN A 49 17.205 -6.163 12.637 1.00 0.00 C ATOM 754 CG GLN A 49 18.528 -6.431 11.936 1.00 0.00 C ATOM 755 CD GLN A 49 19.623 -5.479 12.373 1.00 0.00 C ATOM 756 OE1 GLN A 49 20.061 -4.623 11.603 1.00 0.00 O ATOM 757 NE2 GLN A 49 20.073 -5.622 13.614 1.00 0.00 N ATOM 0 H GLN A 49 15.955 -5.234 14.557 1.00 0.00 H new ATOM 0 HA GLN A 49 17.787 -4.108 12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.238 -6.597 13.636 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.407 -6.671 12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.841 -7.456 12.138 1.00 0.00 H new ATOM 0 HG3 GLN A 49 18.387 -6.347 10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 49 19.682 -6.345 14.218 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.810 -5.009 13.963 1.00 0.00 H new ATOM 766 N LYS A 50 16.916 -4.112 10.393 1.00 0.00 N ATOM 767 CA LYS A 50 16.367 -3.674 9.115 1.00 0.00 C ATOM 768 C LYS A 50 15.616 -4.811 8.428 1.00 0.00 C ATOM 769 O LYS A 50 15.923 -5.989 8.610 1.00 0.00 O ATOM 770 CB LYS A 50 17.485 -3.164 8.204 1.00 0.00 C ATOM 771 CG LYS A 50 17.735 -1.670 8.326 1.00 0.00 C ATOM 772 CD LYS A 50 18.188 -1.071 7.005 1.00 0.00 C ATOM 773 CE LYS A 50 19.703 -1.085 6.877 1.00 0.00 C ATOM 774 NZ LYS A 50 20.156 -0.507 5.581 1.00 0.00 N ATOM 0 H LYS A 50 17.911 -4.334 10.370 1.00 0.00 H new ATOM 0 HA LYS A 50 15.666 -2.862 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.406 -3.698 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.235 -3.399 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.823 -1.173 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.493 -1.488 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.747 -1.631 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.825 -0.046 6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.142 -0.520 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.065 -2.109 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.195 -0.535 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.758 -1.061 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.832 0.479 5.508 1.00 0.00 H new ATOM 788 N PRO A 51 14.610 -4.451 7.618 1.00 0.00 N ATOM 789 CA PRO A 51 13.796 -5.427 6.886 1.00 0.00 C ATOM 790 C PRO A 51 14.578 -6.114 5.771 1.00 0.00 C ATOM 791 O PRO A 51 15.384 -5.484 5.086 1.00 0.00 O ATOM 792 CB PRO A 51 12.665 -4.577 6.300 1.00 0.00 C ATOM 793 CG PRO A 51 13.236 -3.205 6.198 1.00 0.00 C ATOM 794 CD PRO A 51 14.188 -3.065 7.353 1.00 0.00 C ATOM 0 HA PRO A 51 13.451 -6.235 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.354 -4.950 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.784 -4.593 6.942 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.752 -3.067 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.450 -2.451 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.036 -2.428 7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.703 -2.620 8.222 1.00 0.00 H new ATOM 802 N ARG A 52 14.334 -7.408 5.595 1.00 0.00 N ATOM 803 CA ARG A 52 15.016 -8.180 4.564 1.00 0.00 C ATOM 804 C ARG A 52 14.630 -7.689 3.172 1.00 0.00 C ATOM 805 O ARG A 52 15.433 -7.737 2.240 1.00 0.00 O ATOM 806 CB ARG A 52 14.680 -9.666 4.703 1.00 0.00 C ATOM 807 CG ARG A 52 15.172 -10.283 6.002 1.00 0.00 C ATOM 808 CD ARG A 52 16.681 -10.472 5.992 1.00 0.00 C ATOM 809 NE ARG A 52 17.383 -9.303 6.515 1.00 0.00 N ATOM 810 CZ ARG A 52 18.706 -9.186 6.528 1.00 0.00 C ATOM 811 NH1 ARG A 52 19.467 -10.161 6.050 1.00 0.00 N ATOM 812 NH2 ARG A 52 19.271 -8.091 7.021 1.00 0.00 N ATOM 0 H ARG A 52 13.669 -7.944 6.153 1.00 0.00 H new ATOM 0 HA ARG A 52 16.090 -8.043 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.599 -9.793 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.117 -10.209 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.890 -9.645 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.685 -11.246 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.941 -11.347 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.015 -10.669 4.973 1.00 0.00 H new ATOM 0 HE ARG A 52 16.827 -8.535 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.037 -11.004 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.483 -10.068 6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.689 -7.339 7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.287 -8.002 7.031 1.00 0.00 H new ATOM 826 N GLY A 53 13.394 -7.217 3.038 1.00 0.00 N ATOM 827 CA GLY A 53 12.923 -6.724 1.757 1.00 0.00 C ATOM 828 C GLY A 53 11.710 -5.826 1.892 1.00 0.00 C ATOM 829 O GLY A 53 10.705 -6.212 2.491 1.00 0.00 O ATOM 0 H GLY A 53 12.711 -7.167 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.726 -6.174 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.676 -7.569 1.115 1.00 0.00 H new ATOM 833 N THR A 54 11.801 -4.622 1.334 1.00 0.00 N ATOM 834 CA THR A 54 10.703 -3.666 1.398 1.00 0.00 C ATOM 835 C THR A 54 10.122 -3.403 0.013 1.00 0.00 C ATOM 836 O THR A 54 10.843 -3.407 -0.985 1.00 0.00 O ATOM 837 CB THR A 54 11.158 -2.329 2.013 1.00 0.00 C ATOM 838 OG1 THR A 54 12.179 -1.738 1.201 1.00 0.00 O ATOM 839 CG2 THR A 54 11.682 -2.534 3.426 1.00 0.00 C ATOM 0 H THR A 54 12.624 -4.287 0.833 1.00 0.00 H new ATOM 0 HA THR A 54 9.936 -4.108 2.034 1.00 0.00 H new ATOM 0 HB THR A 54 10.297 -1.662 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.461 -0.888 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.997 -1.576 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.893 -2.956 4.049 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.531 -3.217 3.404 1.00 0.00 H new ATOM 847 N LEU A 55 8.814 -3.176 -0.041 1.00 0.00 N ATOM 848 CA LEU A 55 8.135 -2.910 -1.305 1.00 0.00 C ATOM 849 C LEU A 55 7.223 -1.694 -1.188 1.00 0.00 C ATOM 850 O LEU A 55 6.394 -1.613 -0.281 1.00 0.00 O ATOM 851 CB LEU A 55 7.322 -4.132 -1.736 1.00 0.00 C ATOM 852 CG LEU A 55 6.692 -4.062 -3.127 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.763 -4.142 -4.203 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.669 -5.175 -3.306 1.00 0.00 C ATOM 0 H LEU A 55 8.203 -3.171 0.775 1.00 0.00 H new ATOM 0 HA LEU A 55 8.893 -2.701 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.970 -5.007 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.528 -4.291 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 55 6.179 -3.105 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.295 -4.091 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.458 -3.310 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.305 -5.083 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.231 -5.110 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.159 -6.142 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.884 -5.072 -2.557 1.00 0.00 H new ATOM 866 N GLN A 56 7.380 -0.751 -2.111 1.00 0.00 N ATOM 867 CA GLN A 56 6.569 0.460 -2.112 1.00 0.00 C ATOM 868 C GLN A 56 5.127 0.150 -2.501 1.00 0.00 C ATOM 869 O GLN A 56 4.875 -0.576 -3.463 1.00 0.00 O ATOM 870 CB GLN A 56 7.158 1.493 -3.074 1.00 0.00 C ATOM 871 CG GLN A 56 8.211 2.386 -2.438 1.00 0.00 C ATOM 872 CD GLN A 56 9.157 2.989 -3.457 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.811 3.943 -4.154 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.360 2.435 -3.549 1.00 0.00 N ATOM 0 H GLN A 56 8.062 -0.803 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 56 6.573 0.870 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.599 0.974 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.352 2.116 -3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.718 3.187 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.784 1.807 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.605 1.645 -2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.039 2.799 -4.217 1.00 0.00 H new ATOM 883 N LEU A 57 4.184 0.703 -1.746 1.00 0.00 N ATOM 884 CA LEU A 57 2.766 0.485 -2.012 1.00 0.00 C ATOM 885 C LEU A 57 2.169 1.660 -2.780 1.00 0.00 C ATOM 886 O LEU A 57 1.249 1.488 -3.580 1.00 0.00 O ATOM 887 CB LEU A 57 2.007 0.280 -0.700 1.00 0.00 C ATOM 888 CG LEU A 57 2.235 -1.057 0.006 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.518 -1.082 1.347 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.768 -2.209 -0.872 1.00 0.00 C ATOM 0 H LEU A 57 4.375 1.305 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 57 2.670 -0.412 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.283 1.081 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.941 0.385 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 57 3.304 -1.173 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.692 -2.041 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.899 -0.280 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.448 -0.943 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.938 -3.153 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.705 -2.097 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.327 -2.203 -1.808 1.00 0.00 H new ATOM 902 N ALA A 58 2.700 2.853 -2.533 1.00 0.00 N ATOM 903 CA ALA A 58 2.222 4.055 -3.204 1.00 0.00 C ATOM 904 C ALA A 58 2.050 3.817 -4.701 1.00 0.00 C ATOM 905 O ALA A 58 3.009 3.900 -5.467 1.00 0.00 O ATOM 906 CB ALA A 58 3.180 5.212 -2.959 1.00 0.00 C ATOM 0 H ALA A 58 3.461 3.013 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 58 1.247 4.310 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.811 6.104 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.250 5.406 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.166 4.956 -3.347 1.00 0.00 H new ATOM 912 N GLY A 59 0.821 3.520 -5.110 1.00 0.00 N ATOM 913 CA GLY A 59 0.546 3.273 -6.514 1.00 0.00 C ATOM 914 C GLY A 59 0.668 1.807 -6.880 1.00 0.00 C ATOM 915 O GLY A 59 1.022 1.470 -8.009 1.00 0.00 O ATOM 0 H GLY A 59 0.011 3.446 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.460 3.621 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.237 3.855 -7.124 1.00 0.00 H new ATOM 919 N ALA A 60 0.376 0.934 -5.922 1.00 0.00 N ATOM 920 CA ALA A 60 0.455 -0.504 -6.149 1.00 0.00 C ATOM 921 C ALA A 60 -0.930 -1.101 -6.376 1.00 0.00 C ATOM 922 O ALA A 60 -1.944 -0.472 -6.075 1.00 0.00 O ATOM 923 CB ALA A 60 1.141 -1.187 -4.975 1.00 0.00 C ATOM 0 H ALA A 60 0.083 1.197 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 60 1.046 -0.673 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.193 -2.260 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.149 -0.789 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.573 -1.002 -4.064 1.00 0.00 H new ATOM 929 N VAL A 61 -0.964 -2.318 -6.909 1.00 0.00 N ATOM 930 CA VAL A 61 -2.225 -3.000 -7.175 1.00 0.00 C ATOM 931 C VAL A 61 -2.305 -4.322 -6.421 1.00 0.00 C ATOM 932 O VAL A 61 -1.284 -4.949 -6.136 1.00 0.00 O ATOM 933 CB VAL A 61 -2.410 -3.269 -8.681 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.609 -4.175 -8.918 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.561 -1.960 -9.441 1.00 0.00 C ATOM 0 H VAL A 61 -0.133 -2.852 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.021 -2.340 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.521 -3.778 -9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.724 -4.354 -9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.454 -5.125 -8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.509 -3.696 -8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.691 -2.169 -10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.432 -1.421 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.669 -1.351 -9.297 1.00 0.00 H new ATOM 945 N ILE A 62 -3.525 -4.741 -6.100 1.00 0.00 N ATOM 946 CA ILE A 62 -3.738 -5.990 -5.379 1.00 0.00 C ATOM 947 C ILE A 62 -4.653 -6.926 -6.160 1.00 0.00 C ATOM 948 O ILE A 62 -5.826 -6.623 -6.381 1.00 0.00 O ATOM 949 CB ILE A 62 -4.346 -5.739 -3.986 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.357 -4.975 -3.104 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.738 -7.057 -3.335 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.275 -3.499 -3.426 1.00 0.00 C ATOM 0 H ILE A 62 -4.380 -4.234 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.760 -6.457 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.244 -5.132 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.646 -5.095 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.367 -5.418 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.166 -6.864 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.474 -7.566 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.855 -7.687 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.555 -3.021 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.956 -3.369 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.255 -3.042 -3.288 1.00 0.00 H new ATOM 964 N SER A 63 -4.110 -8.066 -6.576 1.00 0.00 N ATOM 965 CA SER A 63 -4.877 -9.046 -7.334 1.00 0.00 C ATOM 966 C SER A 63 -4.987 -10.361 -6.568 1.00 0.00 C ATOM 967 O SER A 63 -4.134 -11.242 -6.670 1.00 0.00 O ATOM 968 CB SER A 63 -4.227 -9.291 -8.697 1.00 0.00 C ATOM 969 OG SER A 63 -4.362 -8.157 -9.537 1.00 0.00 O ATOM 0 H SER A 63 -3.141 -8.333 -6.400 1.00 0.00 H new ATOM 0 HA SER A 63 -5.880 -8.647 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.171 -9.525 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.687 -10.157 -9.173 1.00 0.00 H new ATOM 0 HG SER A 63 -3.937 -8.338 -10.401 1.00 0.00 H new ATOM 975 N PRO A 64 -6.065 -10.498 -5.781 1.00 0.00 N ATOM 976 CA PRO A 64 -6.314 -11.701 -4.982 1.00 0.00 C ATOM 977 C PRO A 64 -6.670 -12.906 -5.845 1.00 0.00 C ATOM 978 O PRO A 64 -7.683 -12.903 -6.545 1.00 0.00 O ATOM 979 CB PRO A 64 -7.502 -11.303 -4.103 1.00 0.00 C ATOM 980 CG PRO A 64 -8.199 -10.232 -4.869 1.00 0.00 C ATOM 981 CD PRO A 64 -7.123 -9.488 -5.611 1.00 0.00 C ATOM 0 HA PRO A 64 -5.432 -12.006 -4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.161 -12.152 -3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.171 -10.942 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.927 -10.657 -5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.745 -9.566 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.481 -9.115 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.768 -8.626 -5.047 1.00 0.00 H new ATOM 989 N SER A 65 -5.832 -13.937 -5.789 1.00 0.00 N ATOM 990 CA SER A 65 -6.057 -15.148 -6.569 1.00 0.00 C ATOM 991 C SER A 65 -7.399 -15.781 -6.214 1.00 0.00 C ATOM 992 O SER A 65 -8.089 -15.328 -5.301 1.00 0.00 O ATOM 993 CB SER A 65 -4.928 -16.152 -6.328 1.00 0.00 C ATOM 994 OG SER A 65 -4.793 -17.040 -7.424 1.00 0.00 O ATOM 0 H SER A 65 -4.991 -13.957 -5.212 1.00 0.00 H new ATOM 0 HA SER A 65 -6.071 -14.874 -7.624 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.990 -15.619 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.129 -16.719 -5.419 1.00 0.00 H new ATOM 0 HG SER A 65 -4.064 -17.670 -7.246 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.762 -16.831 -6.942 1.00 0.00 N ATOM 1001 CA ASP A 66 -9.020 -17.528 -6.705 1.00 0.00 C ATOM 1002 C ASP A 66 -8.809 -19.039 -6.680 1.00 0.00 C ATOM 1003 O ASP A 66 -9.765 -19.810 -6.748 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.042 -17.161 -7.782 1.00 0.00 C ATOM 1005 CG ASP A 66 -11.464 -17.480 -7.363 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -11.799 -17.255 -6.182 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -12.242 -17.956 -8.217 1.00 0.00 O ATOM 0 H ASP A 66 -7.202 -17.218 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.401 -17.217 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.962 -16.097 -8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.807 -17.699 -8.700 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.549 -19.453 -6.584 1.00 0.00 N ATOM 1013 CA GLU A 67 -7.213 -20.872 -6.553 1.00 0.00 C ATOM 1014 C GLU A 67 -7.289 -21.418 -5.130 1.00 0.00 C ATOM 1015 O GLU A 67 -8.206 -22.166 -4.789 1.00 0.00 O ATOM 1016 CB GLU A 67 -5.812 -21.099 -7.124 1.00 0.00 C ATOM 1017 CG GLU A 67 -5.756 -21.044 -8.642 1.00 0.00 C ATOM 1018 CD GLU A 67 -6.101 -22.372 -9.287 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -7.204 -22.893 -9.020 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -5.267 -22.890 -10.059 1.00 0.00 O ATOM 0 H GLU A 67 -6.746 -18.827 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.939 -21.405 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.137 -20.347 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.446 -22.070 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.447 -20.280 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.756 -20.741 -8.954 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.319 -21.040 -4.305 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.275 -21.491 -2.919 1.00 0.00 C ATOM 1029 C ASP A 68 -7.094 -20.568 -2.022 1.00 0.00 C ATOM 1030 O ASP A 68 -7.227 -19.376 -2.297 1.00 0.00 O ATOM 1031 CB ASP A 68 -4.829 -21.551 -2.426 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.118 -22.815 -2.867 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -4.428 -23.893 -2.317 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.253 -22.727 -3.762 1.00 0.00 O ATOM 0 H ASP A 68 -5.552 -20.422 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.708 -22.490 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.285 -20.683 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.817 -21.492 -1.338 1.00 0.00 H new ATOM 1039 N SER A 69 -7.642 -21.129 -0.948 1.00 0.00 N ATOM 1040 CA SER A 69 -8.452 -20.358 -0.012 1.00 0.00 C ATOM 1041 C SER A 69 -7.802 -19.011 0.288 1.00 0.00 C ATOM 1042 O SER A 69 -8.327 -17.959 -0.080 1.00 0.00 O ATOM 1043 CB SER A 69 -8.652 -21.141 1.287 1.00 0.00 C ATOM 1044 OG SER A 69 -7.561 -22.010 1.532 1.00 0.00 O ATOM 0 H SER A 69 -7.540 -22.114 -0.705 1.00 0.00 H new ATOM 0 HA SER A 69 -9.423 -20.178 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.762 -20.447 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.575 -21.718 1.229 1.00 0.00 H new ATOM 0 HG SER A 69 -7.712 -22.497 2.369 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.654 -19.051 0.958 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.931 -17.834 1.308 1.00 0.00 C ATOM 1052 C HIS A 70 -4.798 -17.572 0.319 1.00 0.00 C ATOM 1053 O HIS A 70 -3.798 -18.290 0.300 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.371 -17.938 2.727 1.00 0.00 C ATOM 1055 CG HIS A 70 -6.198 -18.793 3.636 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -5.657 -19.565 4.642 1.00 0.00 N ATOM 1057 CD2 HIS A 70 -7.536 -18.995 3.686 1.00 0.00 C ATOM 1058 CE1 HIS A 70 -6.626 -20.205 5.272 1.00 0.00 C ATOM 1059 NE2 HIS A 70 -7.776 -19.877 4.712 1.00 0.00 N ATOM 0 H HIS A 70 -6.205 -19.913 1.269 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.631 -16.999 1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.360 -18.343 2.681 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.295 -16.938 3.153 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.664 -19.632 4.865 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.276 -18.547 3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.499 -20.882 6.104 1.00 0.00 H new ATOM 1068 N THR A 71 -4.962 -16.540 -0.502 1.00 0.00 N ATOM 1069 CA THR A 71 -3.955 -16.184 -1.494 1.00 0.00 C ATOM 1070 C THR A 71 -4.141 -14.750 -1.977 1.00 0.00 C ATOM 1071 O THR A 71 -5.262 -14.246 -2.040 1.00 0.00 O ATOM 1072 CB THR A 71 -4.003 -17.133 -2.707 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.207 -18.480 -2.268 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.716 -17.045 -3.513 1.00 0.00 C ATOM 0 H THR A 71 -5.783 -15.935 -0.500 1.00 0.00 H new ATOM 0 HA THR A 71 -2.984 -16.277 -1.007 1.00 0.00 H new ATOM 0 HB THR A 71 -4.834 -16.831 -3.345 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.753 -18.617 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.773 -17.723 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.580 -16.024 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.872 -17.324 -2.882 1.00 0.00 H new ATOM 1082 N PHE A 72 -3.034 -14.098 -2.317 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.075 -12.720 -2.794 1.00 0.00 C ATOM 1084 C PHE A 72 -1.693 -12.261 -3.248 1.00 0.00 C ATOM 1085 O PHE A 72 -0.672 -12.785 -2.800 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.597 -11.793 -1.695 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.665 -11.666 -0.524 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.686 -12.601 0.499 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.768 -10.614 -0.447 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.829 -12.486 1.578 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -0.909 -10.494 0.630 1.00 0.00 C ATOM 1092 CZ PHE A 72 -0.939 -11.432 1.643 1.00 0.00 C ATOM 0 H PHE A 72 -2.098 -14.501 -2.271 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.752 -12.677 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.772 -10.804 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.560 -12.165 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.379 -13.428 0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.739 -9.879 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.856 -13.220 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.215 -9.668 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.268 -11.342 2.484 1.00 0.00 H new ATOM 1102 N THR A 73 -1.667 -11.277 -4.142 1.00 0.00 N ATOM 1103 CA THR A 73 -0.411 -10.748 -4.660 1.00 0.00 C ATOM 1104 C THR A 73 -0.396 -9.224 -4.611 1.00 0.00 C ATOM 1105 O THR A 73 -1.434 -8.578 -4.753 1.00 0.00 O ATOM 1106 CB THR A 73 -0.163 -11.206 -6.109 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.351 -11.030 -6.889 1.00 0.00 O ATOM 1108 CG2 THR A 73 0.265 -12.665 -6.149 1.00 0.00 C ATOM 0 H THR A 73 -2.501 -10.830 -4.522 1.00 0.00 H new ATOM 0 HA THR A 73 0.383 -11.138 -4.023 1.00 0.00 H new ATOM 0 HB THR A 73 0.638 -10.597 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.304 -11.594 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.434 -12.966 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.186 -12.790 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.518 -13.286 -5.714 1.00 0.00 H new ATOM 1116 N VAL A 74 0.789 -8.655 -4.410 1.00 0.00 N ATOM 1117 CA VAL A 74 0.940 -7.207 -4.344 1.00 0.00 C ATOM 1118 C VAL A 74 1.782 -6.689 -5.504 1.00 0.00 C ATOM 1119 O VAL A 74 3.010 -6.770 -5.478 1.00 0.00 O ATOM 1120 CB VAL A 74 1.588 -6.769 -3.017 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.764 -5.259 -2.981 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.757 -7.246 -1.836 1.00 0.00 C ATOM 0 H VAL A 74 1.658 -9.175 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.062 -6.782 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 74 2.575 -7.227 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.223 -4.969 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.404 -4.948 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.791 -4.777 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.229 -6.928 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.244 -6.819 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.689 -8.334 -1.855 1.00 0.00 H new ATOM 1132 N ASN A 75 1.115 -6.155 -6.522 1.00 0.00 N ATOM 1133 CA ASN A 75 1.803 -5.624 -7.693 1.00 0.00 C ATOM 1134 C ASN A 75 2.344 -4.224 -7.417 1.00 0.00 C ATOM 1135 O ASN A 75 1.887 -3.540 -6.502 1.00 0.00 O ATOM 1136 CB ASN A 75 0.856 -5.589 -8.895 1.00 0.00 C ATOM 1137 CG ASN A 75 0.719 -6.944 -9.562 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.614 -7.387 -10.281 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.407 -7.608 -9.325 1.00 0.00 N ATOM 0 H ASN A 75 0.099 -6.079 -6.560 1.00 0.00 H new ATOM 0 HA ASN A 75 2.643 -6.281 -7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.126 -5.246 -8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.223 -4.864 -9.622 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.557 -8.525 -9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.122 -7.201 -8.722 1.00 0.00 H new ATOM 1146 N ALA A 76 3.319 -3.805 -8.216 1.00 0.00 N ATOM 1147 CA ALA A 76 3.921 -2.486 -8.060 1.00 0.00 C ATOM 1148 C ALA A 76 3.850 -1.693 -9.360 1.00 0.00 C ATOM 1149 O ALA A 76 4.195 -2.200 -10.427 1.00 0.00 O ATOM 1150 CB ALA A 76 5.365 -2.616 -7.597 1.00 0.00 C ATOM 0 H ALA A 76 3.709 -4.359 -8.978 1.00 0.00 H new ATOM 0 HA ALA A 76 3.356 -1.943 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.802 -1.624 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.395 -3.136 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.934 -3.182 -8.335 1.00 0.00 H new ATOM 1156 N ALA A 77 3.399 -0.446 -9.263 1.00 0.00 N ATOM 1157 CA ALA A 77 3.284 0.417 -10.432 1.00 0.00 C ATOM 1158 C ALA A 77 4.541 0.348 -11.292 1.00 0.00 C ATOM 1159 O ALA A 77 4.499 0.613 -12.493 1.00 0.00 O ATOM 1160 CB ALA A 77 3.014 1.852 -10.003 1.00 0.00 C ATOM 0 H ALA A 77 3.108 -0.012 -8.387 1.00 0.00 H new ATOM 0 HA ALA A 77 2.446 0.064 -11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.930 2.486 -10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.083 1.894 -9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.835 2.206 -9.379 1.00 0.00 H new ATOM 1166 N SER A 78 5.660 -0.010 -10.669 1.00 0.00 N ATOM 1167 CA SER A 78 6.931 -0.110 -11.377 1.00 0.00 C ATOM 1168 C SER A 78 6.950 -1.333 -12.289 1.00 0.00 C ATOM 1169 O SER A 78 7.274 -1.235 -13.472 1.00 0.00 O ATOM 1170 CB SER A 78 8.089 -0.184 -10.381 1.00 0.00 C ATOM 1171 OG SER A 78 8.514 1.111 -9.995 1.00 0.00 O ATOM 0 H SER A 78 5.712 -0.236 -9.676 1.00 0.00 H new ATOM 0 HA SER A 78 7.047 0.782 -11.992 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.779 -0.746 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.923 -0.726 -10.828 1.00 0.00 H new ATOM 0 HG SER A 78 9.254 1.036 -9.357 1.00 0.00 H new ATOM 1177 N GLY A 79 6.600 -2.487 -11.729 1.00 0.00 N ATOM 1178 CA GLY A 79 6.583 -3.713 -12.504 1.00 0.00 C ATOM 1179 C GLY A 79 7.051 -4.912 -11.703 1.00 0.00 C ATOM 1180 O GLY A 79 7.778 -5.763 -12.215 1.00 0.00 O ATOM 0 H GLY A 79 6.328 -2.594 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.572 -3.895 -12.868 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.220 -3.594 -13.380 1.00 0.00 H new ATOM 1184 N GLU A 80 6.635 -4.979 -10.442 1.00 0.00 N ATOM 1185 CA GLU A 80 7.019 -6.082 -9.569 1.00 0.00 C ATOM 1186 C GLU A 80 5.789 -6.739 -8.950 1.00 0.00 C ATOM 1187 O GLU A 80 4.744 -6.107 -8.801 1.00 0.00 O ATOM 1188 CB GLU A 80 7.955 -5.585 -8.465 1.00 0.00 C ATOM 1189 CG GLU A 80 7.880 -6.405 -7.189 1.00 0.00 C ATOM 1190 CD GLU A 80 6.586 -6.187 -6.430 1.00 0.00 C ATOM 1191 OE1 GLU A 80 6.078 -5.045 -6.440 1.00 0.00 O ATOM 1192 OE2 GLU A 80 6.081 -7.155 -5.825 1.00 0.00 O ATOM 0 H GLU A 80 6.033 -4.283 -10.003 1.00 0.00 H new ATOM 0 HA GLU A 80 7.542 -6.824 -10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.980 -5.599 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.713 -4.547 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.979 -7.462 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.722 -6.147 -6.546 1.00 0.00 H new ATOM 1199 N GLN A 81 5.923 -8.013 -8.593 1.00 0.00 N ATOM 1200 CA GLN A 81 4.823 -8.757 -7.992 1.00 0.00 C ATOM 1201 C GLN A 81 5.301 -9.553 -6.782 1.00 0.00 C ATOM 1202 O GLN A 81 6.365 -10.170 -6.814 1.00 0.00 O ATOM 1203 CB GLN A 81 4.194 -9.698 -9.021 1.00 0.00 C ATOM 1204 CG GLN A 81 2.896 -10.335 -8.549 1.00 0.00 C ATOM 1205 CD GLN A 81 2.336 -11.326 -9.549 1.00 0.00 C ATOM 1206 OE1 GLN A 81 3.005 -11.699 -10.513 1.00 0.00 O ATOM 1207 NE2 GLN A 81 1.101 -11.760 -9.325 1.00 0.00 N ATOM 0 H GLN A 81 6.782 -8.550 -8.710 1.00 0.00 H new ATOM 0 HA GLN A 81 4.072 -8.041 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.004 -9.143 -9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.907 -10.485 -9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.068 -10.841 -7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.158 -9.554 -8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.582 -11.425 -8.513 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.672 -12.429 -9.964 1.00 0.00 H new ATOM 1216 N TYR A 82 4.508 -9.533 -5.717 1.00 0.00 N ATOM 1217 CA TYR A 82 4.851 -10.251 -4.495 1.00 0.00 C ATOM 1218 C TYR A 82 3.859 -11.379 -4.229 1.00 0.00 C ATOM 1219 O TYR A 82 2.645 -11.183 -4.289 1.00 0.00 O ATOM 1220 CB TYR A 82 4.879 -9.291 -3.305 1.00 0.00 C ATOM 1221 CG TYR A 82 6.237 -8.674 -3.056 1.00 0.00 C ATOM 1222 CD1 TYR A 82 7.198 -8.634 -4.060 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.561 -8.134 -1.818 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.440 -8.072 -3.838 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.800 -7.569 -1.587 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.737 -7.541 -2.600 1.00 0.00 C ATOM 1227 OH TYR A 82 9.973 -6.980 -2.373 1.00 0.00 O ATOM 0 H TYR A 82 3.623 -9.027 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 82 5.842 -10.686 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.153 -8.495 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.563 -9.826 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.969 -9.050 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.831 -8.156 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.175 -8.048 -4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.034 -7.151 -0.619 1.00 0.00 H new ATOM 0 HH TYR A 82 10.019 -6.652 -1.451 1.00 0.00 H new ATOM 1237 N LYS A 83 4.385 -12.563 -3.933 1.00 0.00 N ATOM 1238 CA LYS A 83 3.549 -13.725 -3.655 1.00 0.00 C ATOM 1239 C LYS A 83 3.458 -13.983 -2.154 1.00 0.00 C ATOM 1240 O LYS A 83 4.388 -14.516 -1.548 1.00 0.00 O ATOM 1241 CB LYS A 83 4.106 -14.962 -4.363 1.00 0.00 C ATOM 1242 CG LYS A 83 3.082 -16.067 -4.552 1.00 0.00 C ATOM 1243 CD LYS A 83 3.656 -17.230 -5.345 1.00 0.00 C ATOM 1244 CE LYS A 83 3.508 -17.010 -6.843 1.00 0.00 C ATOM 1245 NZ LYS A 83 4.259 -18.026 -7.630 1.00 0.00 N ATOM 0 H LYS A 83 5.388 -12.743 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 83 2.547 -13.519 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.495 -14.668 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.947 -15.351 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.744 -16.421 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.208 -15.670 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.710 -17.356 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.149 -18.152 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.453 -17.049 -7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.866 -16.013 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.133 -17.841 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.270 -17.972 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.900 -18.975 -7.404 1.00 0.00 H new ATOM 1259 N LEU A 84 2.332 -13.603 -1.561 1.00 0.00 N ATOM 1260 CA LEU A 84 2.118 -13.795 -0.130 1.00 0.00 C ATOM 1261 C LEU A 84 0.856 -14.612 0.127 1.00 0.00 C ATOM 1262 O LEU A 84 0.007 -14.755 -0.753 1.00 0.00 O ATOM 1263 CB LEU A 84 2.017 -12.442 0.576 1.00 0.00 C ATOM 1264 CG LEU A 84 3.065 -11.400 0.185 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.781 -10.073 0.871 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.463 -11.893 0.530 1.00 0.00 C ATOM 0 H LEU A 84 1.553 -13.160 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 84 2.971 -14.344 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.029 -12.025 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.084 -12.610 1.651 1.00 0.00 H new ATOM 0 HG LEU A 84 3.012 -11.247 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.537 -9.344 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.796 -9.713 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.805 -10.210 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.196 -11.138 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.530 -12.076 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.666 -12.818 -0.010 1.00 0.00 H new ATOM 1278 N ARG A 85 0.738 -15.143 1.340 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.421 -15.944 1.713 1.00 0.00 C ATOM 1280 C ARG A 85 -0.872 -15.619 3.134 1.00 0.00 C ATOM 1281 O ARG A 85 -0.080 -15.675 4.075 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.096 -17.435 1.599 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.167 -18.339 2.185 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.589 -19.674 2.626 1.00 0.00 C ATOM 1285 NE ARG A 85 -0.077 -20.448 1.499 1.00 0.00 N ATOM 1286 CZ ARG A 85 -0.855 -21.071 0.621 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -2.174 -21.011 0.740 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -0.314 -21.756 -0.379 1.00 0.00 N ATOM 0 H ARG A 85 1.431 -15.033 2.080 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.233 -15.702 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.046 -17.688 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.850 -17.632 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.636 -17.845 3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.949 -18.507 1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.214 -19.502 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.358 -20.249 3.141 1.00 0.00 H new ATOM 0 HE ARG A 85 0.934 -20.514 1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.593 -20.486 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.769 -21.490 0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.700 -21.804 -0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.913 -22.234 -1.052 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.147 -15.277 3.281 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.704 -14.944 4.587 1.00 0.00 C ATOM 1304 C ALA A 86 -2.691 -16.155 5.514 1.00 0.00 C ATOM 1305 O ALA A 86 -2.479 -17.286 5.074 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.119 -14.407 4.436 1.00 0.00 C ATOM 0 H ALA A 86 -2.815 -15.223 2.512 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.080 -14.170 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.522 -14.163 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.104 -13.510 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.747 -15.163 3.964 1.00 0.00 H new ATOM 1312 N THR A 87 -2.919 -15.911 6.801 1.00 0.00 N ATOM 1313 CA THR A 87 -2.932 -16.981 7.791 1.00 0.00 C ATOM 1314 C THR A 87 -4.296 -17.658 7.851 1.00 0.00 C ATOM 1315 O THR A 87 -4.418 -18.791 8.318 1.00 0.00 O ATOM 1316 CB THR A 87 -2.571 -16.454 9.192 1.00 0.00 C ATOM 1317 OG1 THR A 87 -2.129 -17.534 10.023 1.00 0.00 O ATOM 1318 CG2 THR A 87 -3.766 -15.768 9.837 1.00 0.00 C ATOM 0 H THR A 87 -3.097 -14.982 7.182 1.00 0.00 H new ATOM 0 HA THR A 87 -2.182 -17.708 7.480 1.00 0.00 H new ATOM 0 HB THR A 87 -1.767 -15.725 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.900 -17.190 10.912 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.487 -15.404 10.826 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.082 -14.929 9.217 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.587 -16.479 9.931 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.320 -16.959 7.374 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.677 -17.494 7.372 1.00 0.00 C ATOM 1328 C ASP A 88 -7.529 -16.809 6.307 1.00 0.00 C ATOM 1329 O ASP A 88 -7.229 -15.695 5.880 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.319 -17.317 8.748 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.070 -18.502 9.660 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -7.602 -19.595 9.373 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -6.341 -18.337 10.660 1.00 0.00 O ATOM 0 H ASP A 88 -5.236 -16.020 6.984 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.622 -18.557 7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.926 -16.414 9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.393 -17.173 8.629 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.591 -17.485 5.883 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.487 -16.942 4.869 1.00 0.00 C ATOM 1340 C ALA A 89 -10.080 -15.610 5.317 1.00 0.00 C ATOM 1341 O ALA A 89 -10.501 -14.798 4.493 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.595 -17.937 4.557 1.00 0.00 C ATOM 0 H ALA A 89 -8.852 -18.410 6.226 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.907 -16.765 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.257 -17.519 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.158 -18.864 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.165 -18.142 5.463 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.110 -15.392 6.627 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.651 -14.159 7.186 1.00 0.00 C ATOM 1350 C LYS A 90 -9.566 -13.092 7.300 1.00 0.00 C ATOM 1351 O LYS A 90 -9.863 -11.902 7.402 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.267 -14.425 8.561 1.00 0.00 C ATOM 1353 CG LYS A 90 -11.683 -13.162 9.295 1.00 0.00 C ATOM 1354 CD LYS A 90 -12.736 -13.452 10.352 1.00 0.00 C ATOM 1355 CE LYS A 90 -13.027 -12.225 11.201 1.00 0.00 C ATOM 1356 NZ LYS A 90 -13.681 -12.584 12.490 1.00 0.00 N ATOM 0 H LYS A 90 -9.766 -16.054 7.322 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.426 -13.793 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.138 -15.069 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.548 -14.971 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.810 -12.709 9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.073 -12.437 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.654 -13.788 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.396 -14.266 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.097 -11.693 11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.670 -11.543 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.863 -11.720 13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.581 -13.069 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.056 -13.214 13.032 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.310 -13.527 7.282 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.183 -12.609 7.384 1.00 0.00 C ATOM 1372 C GLU A 91 -6.830 -12.027 6.017 1.00 0.00 C ATOM 1373 O GLU A 91 -6.229 -10.957 5.923 1.00 0.00 O ATOM 1374 CB GLU A 91 -5.966 -13.323 7.976 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.816 -12.388 8.311 1.00 0.00 C ATOM 1376 CD GLU A 91 -4.912 -11.825 9.716 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -5.439 -12.530 10.602 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -4.461 -10.681 9.929 1.00 0.00 O ATOM 0 H GLU A 91 -8.048 -14.509 7.198 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.472 -11.792 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.269 -13.851 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.617 -14.076 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.873 -12.924 8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.800 -11.567 7.595 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.208 -12.741 4.962 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.931 -12.297 3.601 1.00 0.00 C ATOM 1387 C ARG A 92 -7.581 -10.944 3.327 1.00 0.00 C ATOM 1388 O ARG A 92 -6.899 -9.970 3.011 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.435 -13.331 2.592 1.00 0.00 C ATOM 1390 CG ARG A 92 -6.958 -13.079 1.171 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.599 -14.047 0.189 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.056 -13.946 0.192 1.00 0.00 N ATOM 1393 CZ ARG A 92 -9.835 -14.596 1.048 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -9.301 -15.389 1.966 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -11.153 -14.452 0.988 1.00 0.00 N ATOM 0 H ARG A 92 -7.707 -13.629 5.023 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.852 -12.190 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.107 -14.322 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.525 -13.337 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.196 -12.055 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.873 -13.179 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.224 -13.846 -0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.306 -15.066 0.441 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.499 -13.343 -0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.288 -15.501 2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.903 -15.887 2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.568 -13.842 0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.751 -14.952 1.646 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.904 -10.893 3.450 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.645 -9.660 3.213 1.00 0.00 C ATOM 1411 C GLN A 93 -9.005 -8.490 3.953 1.00 0.00 C ATOM 1412 O GLN A 93 -8.940 -7.375 3.434 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.101 -9.823 3.655 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.253 -10.234 5.111 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.637 -9.946 5.657 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.419 -9.217 5.046 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -12.949 -10.520 6.813 1.00 0.00 N ATOM 0 H GLN A 93 -9.484 -11.690 3.712 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.618 -9.449 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.628 -8.882 3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.582 -10.570 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.043 -11.299 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.512 -9.707 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.270 -11.117 7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -13.867 -10.364 7.228 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.534 -8.751 5.168 1.00 0.00 N ATOM 1427 CA HIS A 94 -7.898 -7.719 5.979 1.00 0.00 C ATOM 1428 C HIS A 94 -6.665 -7.158 5.277 1.00 0.00 C ATOM 1429 O HIS A 94 -6.513 -5.944 5.146 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.508 -8.283 7.346 1.00 0.00 C ATOM 1431 CG HIS A 94 -6.861 -7.276 8.247 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -7.547 -6.221 8.811 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.584 -7.169 8.682 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -6.718 -5.507 9.553 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.521 -6.062 9.492 1.00 0.00 N ATOM 0 H HIS A 94 -8.581 -9.668 5.613 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.614 -6.909 6.119 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.399 -8.677 7.835 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.826 -9.121 7.203 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -8.538 -6.023 8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.767 -7.831 8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -6.976 -4.621 10.114 1.00 0.00 H new ATOM 1444 N TRP A 95 -5.789 -8.050 4.829 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.569 -7.643 4.140 1.00 0.00 C ATOM 1446 C TRP A 95 -4.892 -6.992 2.800 1.00 0.00 C ATOM 1447 O TRP A 95 -4.494 -5.856 2.539 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.653 -8.850 3.928 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.715 -9.092 5.072 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.671 -10.195 5.876 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.688 -8.211 5.539 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.679 -10.052 6.815 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.060 -8.844 6.629 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.236 -6.950 5.141 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.007 -8.257 7.325 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.190 -6.368 5.833 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.416 -7.022 6.914 1.00 0.00 C ATOM 0 H TRP A 95 -5.900 -9.059 4.930 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.056 -6.911 4.763 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.265 -9.739 3.775 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.073 -8.701 3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.321 -11.053 5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.441 -10.735 7.535 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.696 -6.439 4.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.460 -8.758 8.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.166 -5.393 5.535 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.233 -6.542 7.433 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.615 -7.718 1.953 1.00 0.00 N ATOM 1469 CA VAL A 96 -5.991 -7.209 0.639 1.00 0.00 C ATOM 1470 C VAL A 96 -6.735 -5.884 0.756 1.00 0.00 C ATOM 1471 O VAL A 96 -6.512 -4.964 -0.032 1.00 0.00 O ATOM 1472 CB VAL A 96 -6.876 -8.216 -0.120 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.295 -7.649 -1.468 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.147 -9.540 -0.292 1.00 0.00 C ATOM 0 H VAL A 96 -5.952 -8.660 2.153 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.067 -7.056 0.082 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.777 -8.397 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.919 -8.374 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.858 -6.728 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.408 -7.438 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.786 -10.240 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.229 -9.379 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.903 -9.951 0.688 1.00 0.00 H new ATOM 1484 N SER A 97 -7.619 -5.792 1.744 1.00 0.00 N ATOM 1485 CA SER A 97 -8.398 -4.579 1.963 1.00 0.00 C ATOM 1486 C SER A 97 -7.499 -3.427 2.401 1.00 0.00 C ATOM 1487 O SER A 97 -7.272 -2.481 1.648 1.00 0.00 O ATOM 1488 CB SER A 97 -9.481 -4.826 3.015 1.00 0.00 C ATOM 1489 OG SER A 97 -10.279 -3.671 3.206 1.00 0.00 O ATOM 0 H SER A 97 -7.814 -6.543 2.406 1.00 0.00 H new ATOM 0 HA SER A 97 -8.873 -4.307 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.111 -5.660 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.017 -5.112 3.959 1.00 0.00 H new ATOM 0 HG SER A 97 -10.965 -3.855 3.882 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.991 -3.515 3.626 1.00 0.00 N ATOM 1496 CA ARG A 98 -6.117 -2.481 4.167 1.00 0.00 C ATOM 1497 C ARG A 98 -5.142 -1.982 3.105 1.00 0.00 C ATOM 1498 O ARG A 98 -5.009 -0.778 2.885 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.344 -3.016 5.374 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.223 -3.311 6.578 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.608 -2.036 7.312 1.00 0.00 C ATOM 1502 NE ARG A 98 -5.455 -1.395 7.938 1.00 0.00 N ATOM 1503 CZ ARG A 98 -4.712 -0.472 7.338 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -5.000 -0.083 6.104 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -3.678 0.065 7.973 1.00 0.00 N ATOM 0 H ARG A 98 -7.170 -4.292 4.263 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.740 -1.645 4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.821 -3.927 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.584 -2.289 5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.124 -3.831 6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.697 -3.980 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.073 -1.342 6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.352 -2.267 8.074 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.207 -1.671 8.888 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.794 -0.493 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.427 0.626 5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.453 -0.231 8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.108 0.774 7.511 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.462 -2.916 2.449 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.498 -2.572 1.409 1.00 0.00 C ATOM 1521 C LEU A 99 -4.167 -1.792 0.283 1.00 0.00 C ATOM 1522 O LEU A 99 -3.725 -0.701 -0.076 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.847 -3.839 0.851 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.912 -4.588 1.801 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.689 -6.013 1.318 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.585 -3.854 1.933 1.00 0.00 C ATOM 0 H LEU A 99 -4.560 -3.917 2.619 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.729 -1.942 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.637 -4.522 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.285 -3.571 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.381 -4.629 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.021 -6.530 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.644 -6.537 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.242 -5.995 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.068 -4.402 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.111 -3.781 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.761 -2.853 2.326 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.235 -2.358 -0.269 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.966 -1.714 -1.354 1.00 0.00 C ATOM 1540 C GLN A 100 -6.336 -0.281 -0.985 1.00 0.00 C ATOM 1541 O GLN A 100 -6.615 0.542 -1.858 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.229 -2.509 -1.689 1.00 0.00 C ATOM 1543 CG GLN A 100 -7.006 -3.596 -2.728 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.269 -3.945 -3.489 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -8.628 -3.277 -4.460 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.953 -4.996 -3.052 1.00 0.00 N ATOM 0 H GLN A 100 -5.613 -3.261 0.017 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.318 -1.689 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.615 -2.964 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.995 -1.823 -2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.241 -3.268 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.624 -4.491 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.620 -5.521 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.812 -5.278 -3.525 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.337 0.010 0.311 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.673 1.343 0.794 1.00 0.00 C ATOM 1557 C ILE A 101 -5.419 2.192 0.979 1.00 0.00 C ATOM 1558 O ILE A 101 -5.358 3.335 0.524 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.440 1.283 2.128 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.685 0.405 1.986 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.821 2.683 2.584 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.184 -0.153 3.301 1.00 0.00 C ATOM 0 H ILE A 101 -6.109 -0.660 1.046 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.312 1.801 0.038 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.791 0.841 2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.481 0.989 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.462 -0.421 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.362 2.623 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.919 3.279 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.455 3.151 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.068 -0.765 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.405 -0.764 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.439 0.668 3.971 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.422 1.626 1.649 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.168 2.330 1.893 1.00 0.00 C ATOM 1576 C CYS A 102 -2.404 2.549 0.592 1.00 0.00 C ATOM 1577 O CYS A 102 -1.548 3.430 0.501 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.302 1.545 2.880 1.00 0.00 C ATOM 1579 SG CYS A 102 -2.590 1.970 4.614 1.00 0.00 S ATOM 0 H CYS A 102 -4.457 0.682 2.033 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.405 3.304 2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.488 0.480 2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.252 1.719 2.644 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.569 1.598 5.327 1.00 0.00 H new ATOM 1585 N THR A 103 -2.719 1.742 -0.416 1.00 0.00 N ATOM 1586 CA THR A 103 -2.061 1.845 -1.713 1.00 0.00 C ATOM 1587 C THR A 103 -2.606 3.022 -2.514 1.00 0.00 C ATOM 1588 O THR A 103 -1.867 3.683 -3.243 1.00 0.00 O ATOM 1589 CB THR A 103 -2.235 0.554 -2.536 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.336 0.559 -3.650 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.666 0.419 -3.033 1.00 0.00 C ATOM 0 H THR A 103 -3.426 1.009 -0.359 1.00 0.00 H new ATOM 0 HA THR A 103 -1.000 2.002 -1.517 1.00 0.00 H new ATOM 0 HB THR A 103 -2.009 -0.296 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.767 0.133 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.765 -0.500 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.345 0.387 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.914 1.273 -3.663 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.903 3.278 -2.372 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.546 4.377 -3.084 1.00 0.00 C ATOM 1601 C GLN A 104 -4.500 5.660 -2.260 1.00 0.00 C ATOM 1602 O GLN A 104 -4.367 6.756 -2.806 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.997 4.020 -3.412 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.545 4.756 -4.624 1.00 0.00 C ATOM 1605 CD GLN A 104 -5.590 4.733 -5.801 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -4.821 3.787 -5.974 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -5.635 5.778 -6.620 1.00 0.00 N ATOM 0 H GLN A 104 -4.528 2.740 -1.772 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.001 4.543 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.068 2.946 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.622 4.244 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.492 4.305 -4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.756 5.790 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.288 6.540 -6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.017 5.818 -7.430 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.610 5.516 -0.943 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.580 6.664 -0.044 1.00 0.00 C ATOM 1618 C HIS A 105 -3.258 7.415 -0.165 1.00 0.00 C ATOM 1619 O HIS A 105 -3.214 8.640 -0.045 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.793 6.212 1.401 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.370 7.277 2.283 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.541 7.943 1.991 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -4.929 7.789 3.456 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.796 8.820 2.946 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.833 8.747 3.847 1.00 0.00 N ATOM 0 H HIS A 105 -4.721 4.616 -0.475 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.388 7.338 -0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.456 5.347 1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.839 5.886 1.815 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.034 7.499 3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.647 9.484 2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.771 9.310 4.695 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.181 6.673 -0.402 1.00 0.00 N ATOM 1635 CA HIS A 106 -0.857 7.269 -0.539 1.00 0.00 C ATOM 1636 C HIS A 106 -0.658 7.834 -1.942 1.00 0.00 C ATOM 1637 O HIS A 106 -0.497 9.042 -2.120 1.00 0.00 O ATOM 1638 CB HIS A 106 0.226 6.233 -0.236 1.00 0.00 C ATOM 1639 CG HIS A 106 0.506 6.069 1.227 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.667 6.511 1.824 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.234 5.510 2.213 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.631 6.229 3.115 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.487 5.622 3.376 1.00 0.00 N ATOM 0 H HIS A 106 -2.199 5.658 -0.503 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.778 8.086 0.178 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.077 5.271 -0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.146 6.522 -0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.210 5.060 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.405 6.456 3.834 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.188 5.290 4.293 1.00 0.00 H new ATOM 1652 N THR A 107 -0.668 6.953 -2.937 1.00 0.00 N ATOM 1653 CA THR A 107 -0.487 7.363 -4.324 1.00 0.00 C ATOM 1654 C THR A 107 -1.210 8.674 -4.608 1.00 0.00 C ATOM 1655 O THR A 107 -0.767 9.471 -5.434 1.00 0.00 O ATOM 1656 CB THR A 107 -0.998 6.286 -5.300 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.314 6.396 -6.553 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.497 6.424 -5.521 1.00 0.00 C ATOM 0 H THR A 107 -0.800 5.950 -2.808 1.00 0.00 H new ATOM 0 HA THR A 107 0.584 7.501 -4.476 1.00 0.00 H new ATOM 0 HB THR A 107 -0.799 5.307 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.158 7.341 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.835 5.653 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.017 6.311 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.714 7.407 -5.938 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.325 8.892 -3.918 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.110 10.108 -4.097 1.00 0.00 C ATOM 1668 C GLU A 108 -2.257 11.348 -3.843 1.00 0.00 C ATOM 1669 O GLU A 108 -2.103 12.199 -4.718 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.318 10.105 -3.159 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.495 10.912 -3.681 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.538 11.180 -2.613 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -6.193 11.813 -1.593 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -7.698 10.756 -2.797 1.00 0.00 O ATOM 0 H GLU A 108 -2.705 8.242 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.461 10.135 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.638 9.076 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.016 10.503 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.133 11.861 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.958 10.377 -4.510 1.00 0.00 H new ATOM 1681 N ALA A 109 -1.705 11.442 -2.637 1.00 0.00 N ATOM 1682 CA ALA A 109 -0.867 12.575 -2.267 1.00 0.00 C ATOM 1683 C ALA A 109 0.203 12.835 -3.322 1.00 0.00 C ATOM 1684 O ALA A 109 0.388 13.969 -3.765 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.225 12.335 -0.909 1.00 0.00 C ATOM 0 H ALA A 109 -1.824 10.747 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.501 13.459 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.398 13.189 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.003 12.207 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.390 11.436 -0.951 1.00 0.00 H new