USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=26 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.868 K(o=-0.87,f=-1.7) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 15 MET CE :methyl 169:sc= -5.46! (180deg=-6.62!) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0377 (180deg=-0.232) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.4) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -2.29 F(o=-3.1,f=-2.3) USER MOD Single : A 32 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 33 ASN : amide:sc= 0.432 K(o=0.43,f=-5.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.3 K(o=0.3,f=-7!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.8!) USER MOD Single : A 49 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.6) 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 K(o=0,f=-0.81) 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= 0.0169 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.36 F(o=-6.5!,f=-3.4) USER MOD Single : A 71 THR OG1 : rot -59:sc= 0.113! USER MOD Single : A 73 THR OG1 : rot -60:sc= 0.199 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=-0.00186 X(o=-0.0019,f=-0.0019) 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 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.6!) USER MOD Single : A 102 CYS SG : rot -21:sc= 0.0424 USER MOD Single : A 103 THR OG1 : rot 50:sc= 1.17 USER MOD Single : A 104 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.6!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 106 HIS : no HD1:sc= 0.228 K(o=0.23,f=-2.8!) USER MOD Single : A 107 THR OG1 : rot -35:sc= -0.0181 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.557 1.019 11.624 1.00 0.00 N ATOM 82 CA ASN A 9 -0.462 0.134 11.244 1.00 0.00 C ATOM 83 C ASN A 9 -0.886 -1.329 11.343 1.00 0.00 C ATOM 84 O ASN A 9 -1.509 -1.741 12.322 1.00 0.00 O ATOM 85 CB ASN A 9 0.757 0.384 12.135 1.00 0.00 C ATOM 86 CG ASN A 9 0.408 0.365 13.610 1.00 0.00 C ATOM 87 OD1 ASN A 9 0.177 -0.696 14.191 1.00 0.00 O ATOM 88 ND2 ASN A 9 0.370 1.542 14.225 1.00 0.00 N ATOM 0 HA ASN A 9 -0.197 0.349 10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.513 -0.375 11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.198 1.348 11.881 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.142 1.591 15.218 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.568 2.396 13.704 1.00 0.00 H new ATOM 95 N VAL A 10 -0.543 -2.109 10.323 1.00 0.00 N ATOM 96 CA VAL A 10 -0.886 -3.526 10.296 1.00 0.00 C ATOM 97 C VAL A 10 0.362 -4.391 10.156 1.00 0.00 C ATOM 98 O VAL A 10 1.214 -4.136 9.305 1.00 0.00 O ATOM 99 CB VAL A 10 -1.852 -3.847 9.140 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.218 -5.323 9.144 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.099 -2.980 9.232 1.00 0.00 C ATOM 0 H VAL A 10 -0.028 -1.784 9.505 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.376 -3.751 11.243 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.351 -3.624 8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.901 -5.531 8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.315 -5.922 9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.701 -5.576 10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.771 -3.220 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.605 -3.169 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.816 -1.929 9.176 1.00 0.00 H new ATOM 111 N TYR A 11 0.462 -5.415 10.996 1.00 0.00 N ATOM 112 CA TYR A 11 1.607 -6.317 10.967 1.00 0.00 C ATOM 113 C TYR A 11 1.211 -7.715 11.433 1.00 0.00 C ATOM 114 O TYR A 11 0.399 -7.871 12.345 1.00 0.00 O ATOM 115 CB TYR A 11 2.733 -5.774 11.848 1.00 0.00 C ATOM 116 CG TYR A 11 2.243 -5.077 13.097 1.00 0.00 C ATOM 117 CD1 TYR A 11 1.701 -5.801 14.152 1.00 0.00 C ATOM 118 CD2 TYR A 11 2.320 -3.696 13.222 1.00 0.00 C ATOM 119 CE1 TYR A 11 1.250 -5.169 15.295 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.874 -3.056 14.362 1.00 0.00 C ATOM 121 CZ TYR A 11 1.340 -3.796 15.396 1.00 0.00 C ATOM 122 OH TYR A 11 0.893 -3.162 16.532 1.00 0.00 O ATOM 0 H TYR A 11 -0.236 -5.641 11.705 1.00 0.00 H new ATOM 0 HA TYR A 11 1.959 -6.383 9.938 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.388 -6.597 12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.335 -5.076 11.265 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.631 -6.876 14.077 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.736 -3.112 12.414 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.829 -5.747 16.105 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.943 -1.981 14.443 1.00 0.00 H new ATOM 0 HH TYR A 11 1.030 -2.196 16.443 1.00 0.00 H new ATOM 132 N GLY A 12 1.792 -8.729 10.801 1.00 0.00 N ATOM 133 CA GLY A 12 1.488 -10.101 11.163 1.00 0.00 C ATOM 134 C GLY A 12 2.429 -11.095 10.512 1.00 0.00 C ATOM 135 O GLY A 12 3.547 -10.745 10.132 1.00 0.00 O ATOM 0 H GLY A 12 2.468 -8.625 10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.544 -10.208 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.463 -10.332 10.872 1.00 0.00 H new ATOM 139 N TYR A 13 1.978 -12.338 10.384 1.00 0.00 N ATOM 140 CA TYR A 13 2.789 -13.387 9.778 1.00 0.00 C ATOM 141 C TYR A 13 2.097 -13.970 8.549 1.00 0.00 C ATOM 142 O TYR A 13 0.982 -14.487 8.637 1.00 0.00 O ATOM 143 CB TYR A 13 3.069 -14.496 10.794 1.00 0.00 C ATOM 144 CG TYR A 13 4.327 -14.273 11.602 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.500 -13.113 12.349 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.343 -15.220 11.619 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.648 -12.905 13.088 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.493 -15.021 12.358 1.00 0.00 C ATOM 149 CZ TYR A 13 6.641 -13.862 13.090 1.00 0.00 C ATOM 150 OH TYR A 13 7.787 -13.659 13.826 1.00 0.00 O ATOM 0 H TYR A 13 1.055 -12.644 10.692 1.00 0.00 H new ATOM 0 HA TYR A 13 3.734 -12.944 9.464 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.221 -14.578 11.473 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.149 -15.447 10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.724 -12.362 12.351 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.232 -16.128 11.044 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.767 -11.998 13.661 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.272 -15.769 12.362 1.00 0.00 H new ATOM 0 HH TYR A 13 8.385 -14.428 13.720 1.00 0.00 H new ATOM 160 N LEU A 14 2.766 -13.884 7.405 1.00 0.00 N ATOM 161 CA LEU A 14 2.218 -14.403 6.157 1.00 0.00 C ATOM 162 C LEU A 14 3.216 -15.327 5.466 1.00 0.00 C ATOM 163 O LEU A 14 4.423 -15.223 5.680 1.00 0.00 O ATOM 164 CB LEU A 14 1.842 -13.251 5.224 1.00 0.00 C ATOM 165 CG LEU A 14 0.786 -12.278 5.750 1.00 0.00 C ATOM 166 CD1 LEU A 14 0.882 -10.943 5.028 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.608 -12.869 5.598 1.00 0.00 C ATOM 0 H LEU A 14 3.689 -13.460 7.316 1.00 0.00 H new ATOM 0 HA LEU A 14 1.323 -14.978 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.746 -12.686 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.483 -13.673 4.285 1.00 0.00 H new ATOM 0 HG LEU A 14 0.973 -12.109 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.123 -10.264 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.870 -10.512 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.722 -11.094 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.346 -12.162 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.805 -13.069 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.672 -13.799 6.162 1.00 0.00 H new ATOM 179 N MET A 15 2.702 -16.229 4.636 1.00 0.00 N ATOM 180 CA MET A 15 3.549 -17.169 3.911 1.00 0.00 C ATOM 181 C MET A 15 4.092 -16.537 2.632 1.00 0.00 C ATOM 182 O MET A 15 3.343 -15.945 1.854 1.00 0.00 O ATOM 183 CB MET A 15 2.766 -18.439 3.573 1.00 0.00 C ATOM 184 CG MET A 15 2.879 -19.522 4.634 1.00 0.00 C ATOM 185 SD MET A 15 4.420 -20.451 4.516 1.00 0.00 S ATOM 186 CE MET A 15 3.909 -21.825 3.487 1.00 0.00 C ATOM 0 H MET A 15 1.704 -16.329 4.449 1.00 0.00 H new ATOM 0 HA MET A 15 4.391 -17.430 4.553 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.715 -18.183 3.437 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.123 -18.834 2.622 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.809 -19.066 5.622 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.037 -20.208 4.539 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.787 -22.383 3.162 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.252 -22.482 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.376 -21.448 2.615 1.00 0.00 H new ATOM 196 N LYS A 16 5.397 -16.667 2.422 1.00 0.00 N ATOM 197 CA LYS A 16 6.040 -16.110 1.237 1.00 0.00 C ATOM 198 C LYS A 16 6.903 -17.159 0.543 1.00 0.00 C ATOM 199 O LYS A 16 7.373 -18.106 1.173 1.00 0.00 O ATOM 200 CB LYS A 16 6.897 -14.901 1.618 1.00 0.00 C ATOM 201 CG LYS A 16 7.510 -14.189 0.424 1.00 0.00 C ATOM 202 CD LYS A 16 7.772 -12.722 0.723 1.00 0.00 C ATOM 203 CE LYS A 16 8.380 -12.009 -0.475 1.00 0.00 C ATOM 204 NZ LYS A 16 7.467 -12.023 -1.651 1.00 0.00 N ATOM 0 H LYS A 16 6.031 -17.153 3.057 1.00 0.00 H new ATOM 0 HA LYS A 16 5.259 -15.792 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.284 -14.194 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.695 -15.228 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.445 -14.678 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.842 -14.273 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.838 -12.234 1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.444 -12.638 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.610 -10.978 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.323 -12.486 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.820 -11.363 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.428 -12.983 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.514 -11.733 -1.354 1.00 0.00 H new ATOM 218 N TYR A 17 7.107 -16.983 -0.758 1.00 0.00 N ATOM 219 CA TYR A 17 7.913 -17.915 -1.538 1.00 0.00 C ATOM 220 C TYR A 17 9.400 -17.617 -1.377 1.00 0.00 C ATOM 221 O TYR A 17 9.937 -16.710 -2.015 1.00 0.00 O ATOM 222 CB TYR A 17 7.524 -17.845 -3.016 1.00 0.00 C ATOM 223 CG TYR A 17 7.710 -19.152 -3.753 1.00 0.00 C ATOM 224 CD1 TYR A 17 8.974 -19.579 -4.141 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.622 -19.959 -4.062 1.00 0.00 C ATOM 226 CE1 TYR A 17 9.149 -20.772 -4.816 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.788 -21.154 -4.735 1.00 0.00 C ATOM 228 CZ TYR A 17 8.053 -21.556 -5.111 1.00 0.00 C ATOM 229 OH TYR A 17 8.223 -22.745 -5.782 1.00 0.00 O ATOM 0 H TYR A 17 6.726 -16.204 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 17 7.721 -18.921 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.481 -17.538 -3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.120 -17.074 -3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.834 -18.968 -3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.630 -19.647 -3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.138 -21.089 -5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.932 -21.770 -4.966 1.00 0.00 H new ATOM 0 HH TYR A 17 7.352 -23.176 -5.910 1.00 0.00 H new ATOM 239 N THR A 18 10.062 -18.387 -0.519 1.00 0.00 N ATOM 240 CA THR A 18 11.487 -18.207 -0.273 1.00 0.00 C ATOM 241 C THR A 18 12.318 -18.744 -1.433 1.00 0.00 C ATOM 242 O THR A 18 13.177 -18.045 -1.969 1.00 0.00 O ATOM 243 CB THR A 18 11.926 -18.909 1.026 1.00 0.00 C ATOM 244 OG1 THR A 18 13.300 -18.614 1.302 1.00 0.00 O ATOM 245 CG2 THR A 18 11.737 -20.414 0.919 1.00 0.00 C ATOM 0 H THR A 18 9.634 -19.141 0.017 1.00 0.00 H new ATOM 0 HA THR A 18 11.657 -17.135 -0.174 1.00 0.00 H new ATOM 0 HB THR A 18 11.304 -18.538 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.571 -19.063 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.054 -20.887 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.685 -20.637 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.336 -20.798 0.093 1.00 0.00 H new ATOM 253 N ASN A 19 12.057 -19.990 -1.815 1.00 0.00 N ATOM 254 CA ASN A 19 12.781 -20.621 -2.912 1.00 0.00 C ATOM 255 C ASN A 19 11.950 -21.733 -3.545 1.00 0.00 C ATOM 256 O ASN A 19 10.856 -22.049 -3.075 1.00 0.00 O ATOM 257 CB ASN A 19 14.113 -21.185 -2.413 1.00 0.00 C ATOM 258 CG ASN A 19 15.196 -20.127 -2.334 1.00 0.00 C ATOM 259 OD1 ASN A 19 15.636 -19.594 -3.353 1.00 0.00 O ATOM 260 ND2 ASN A 19 15.632 -19.816 -1.118 1.00 0.00 N ATOM 0 H ASN A 19 11.349 -20.583 -1.381 1.00 0.00 H new ATOM 0 HA ASN A 19 12.976 -19.862 -3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.970 -21.629 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.438 -21.985 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.359 -19.110 -1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.239 -20.283 -0.301 1.00 0.00 H new ATOM 267 N LEU A 20 12.476 -22.323 -4.612 1.00 0.00 N ATOM 268 CA LEU A 20 11.784 -23.401 -5.310 1.00 0.00 C ATOM 269 C LEU A 20 11.752 -24.667 -4.460 1.00 0.00 C ATOM 270 O LEU A 20 10.685 -25.222 -4.193 1.00 0.00 O ATOM 271 CB LEU A 20 12.465 -23.689 -6.649 1.00 0.00 C ATOM 272 CG LEU A 20 12.213 -22.671 -7.762 1.00 0.00 C ATOM 273 CD1 LEU A 20 13.275 -21.583 -7.740 1.00 0.00 C ATOM 274 CD2 LEU A 20 12.182 -23.361 -9.118 1.00 0.00 C ATOM 0 H LEU A 20 13.380 -22.073 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 20 10.758 -23.082 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.540 -23.755 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.136 -24.668 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 20 11.242 -22.206 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.080 -20.868 -8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.250 -21.069 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.258 -22.031 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.002 -22.622 -9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.138 -23.853 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.384 -24.104 -9.130 1.00 0.00 H new ATOM 286 N VAL A 21 12.928 -25.119 -4.036 1.00 0.00 N ATOM 287 CA VAL A 21 13.034 -26.318 -3.213 1.00 0.00 C ATOM 288 C VAL A 21 12.208 -26.185 -1.939 1.00 0.00 C ATOM 289 O VAL A 21 11.379 -27.042 -1.631 1.00 0.00 O ATOM 290 CB VAL A 21 14.499 -26.610 -2.834 1.00 0.00 C ATOM 291 CG1 VAL A 21 15.134 -25.393 -2.179 1.00 0.00 C ATOM 292 CG2 VAL A 21 14.580 -27.822 -1.919 1.00 0.00 C ATOM 0 H VAL A 21 13.820 -24.673 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 21 12.648 -27.146 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 21 15.055 -26.833 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.168 -25.618 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.109 -24.552 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.580 -25.135 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.621 -28.014 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.010 -27.630 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.166 -28.692 -2.430 1.00 0.00 H new ATOM 302 N THR A 22 12.439 -25.105 -1.199 1.00 0.00 N ATOM 303 CA THR A 22 11.717 -24.859 0.042 1.00 0.00 C ATOM 304 C THR A 22 10.257 -24.517 -0.229 1.00 0.00 C ATOM 305 O THR A 22 9.355 -25.040 0.424 1.00 0.00 O ATOM 306 CB THR A 22 12.360 -23.715 0.849 1.00 0.00 C ATOM 307 OG1 THR A 22 13.787 -23.827 0.808 1.00 0.00 O ATOM 308 CG2 THR A 22 11.886 -23.740 2.294 1.00 0.00 C ATOM 0 H THR A 22 13.122 -24.386 -1.439 1.00 0.00 H new ATOM 0 HA THR A 22 11.769 -25.779 0.625 1.00 0.00 H new ATOM 0 HB THR A 22 12.058 -22.769 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.187 -23.095 1.322 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.353 -22.923 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.803 -23.624 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.162 -24.690 2.751 1.00 0.00 H new ATOM 316 N GLY A 23 10.031 -23.636 -1.199 1.00 0.00 N ATOM 317 CA GLY A 23 8.677 -23.239 -1.540 1.00 0.00 C ATOM 318 C GLY A 23 8.178 -22.088 -0.689 1.00 0.00 C ATOM 319 O GLY A 23 8.857 -21.071 -0.550 1.00 0.00 O ATOM 0 H GLY A 23 10.761 -23.190 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.640 -22.952 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.010 -24.092 -1.418 1.00 0.00 H new ATOM 323 N TRP A 24 6.989 -22.248 -0.119 1.00 0.00 N ATOM 324 CA TRP A 24 6.399 -21.213 0.721 1.00 0.00 C ATOM 325 C TRP A 24 6.914 -21.314 2.153 1.00 0.00 C ATOM 326 O TRP A 24 7.282 -22.394 2.613 1.00 0.00 O ATOM 327 CB TRP A 24 4.873 -21.323 0.706 1.00 0.00 C ATOM 328 CG TRP A 24 4.271 -21.047 -0.638 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.310 -21.859 -1.736 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.542 -19.878 -1.027 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.649 -21.265 -2.783 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.167 -20.050 -2.374 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.166 -18.705 -0.368 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.438 -19.091 -3.072 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.442 -17.754 -1.062 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.084 -17.951 -2.402 1.00 0.00 C ATOM 0 H TRP A 24 6.415 -23.085 -0.223 1.00 0.00 H new ATOM 0 HA TRP A 24 6.690 -20.243 0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.585 -22.324 1.027 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.458 -20.624 1.432 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.790 -22.826 -1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.535 -21.664 -3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.436 -18.544 0.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.162 -19.241 -4.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.147 -16.843 -0.562 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.518 -17.189 -2.916 1.00 0.00 H new ATOM 347 N GLN A 25 6.938 -20.183 2.850 1.00 0.00 N ATOM 348 CA GLN A 25 7.409 -20.146 4.229 1.00 0.00 C ATOM 349 C GLN A 25 6.891 -18.906 4.949 1.00 0.00 C ATOM 350 O GLN A 25 6.941 -17.799 4.413 1.00 0.00 O ATOM 351 CB GLN A 25 8.938 -20.172 4.269 1.00 0.00 C ATOM 352 CG GLN A 25 9.529 -21.561 4.089 1.00 0.00 C ATOM 353 CD GLN A 25 10.962 -21.654 4.574 1.00 0.00 C ATOM 354 OE1 GLN A 25 11.382 -22.854 4.956 1.00 0.00 O flip ATOM 355 NE2 GLN A 25 11.684 -20.657 4.606 1.00 0.00 N flip ATOM 0 H GLN A 25 6.637 -19.280 2.483 1.00 0.00 H new ATOM 0 HA GLN A 25 7.024 -21.028 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.325 -19.518 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.275 -19.764 5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.919 -22.284 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.488 -21.835 3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.320 -19.754 4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.646 -20.734 4.936 1.00 0.00 H new ATOM 364 N TYR A 26 6.393 -19.099 6.166 1.00 0.00 N ATOM 365 CA TYR A 26 5.862 -17.996 6.958 1.00 0.00 C ATOM 366 C TYR A 26 6.893 -16.879 7.096 1.00 0.00 C ATOM 367 O TYR A 26 8.097 -17.131 7.129 1.00 0.00 O ATOM 368 CB TYR A 26 5.442 -18.491 8.343 1.00 0.00 C ATOM 369 CG TYR A 26 3.987 -18.891 8.427 1.00 0.00 C ATOM 370 CD1 TYR A 26 3.498 -19.967 7.697 1.00 0.00 C ATOM 371 CD2 TYR A 26 3.099 -18.191 9.236 1.00 0.00 C ATOM 372 CE1 TYR A 26 2.169 -20.336 7.770 1.00 0.00 C ATOM 373 CE2 TYR A 26 1.769 -18.554 9.316 1.00 0.00 C ATOM 374 CZ TYR A 26 1.308 -19.627 8.582 1.00 0.00 C ATOM 375 OH TYR A 26 -0.017 -19.990 8.658 1.00 0.00 O ATOM 0 H TYR A 26 6.346 -20.009 6.625 1.00 0.00 H new ATOM 0 HA TYR A 26 4.989 -17.598 6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.061 -19.345 8.618 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.637 -17.707 9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.169 -20.525 7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.455 -17.349 9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.806 -21.175 7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.093 -18.000 9.950 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.486 -19.390 9.275 1.00 0.00 H new ATOM 385 N ARG A 27 6.409 -15.644 7.175 1.00 0.00 N ATOM 386 CA ARG A 27 7.287 -14.487 7.309 1.00 0.00 C ATOM 387 C ARG A 27 6.566 -13.335 8.003 1.00 0.00 C ATOM 388 O ARG A 27 5.360 -13.151 7.834 1.00 0.00 O ATOM 389 CB ARG A 27 7.785 -14.036 5.935 1.00 0.00 C ATOM 390 CG ARG A 27 9.133 -13.337 5.975 1.00 0.00 C ATOM 391 CD ARG A 27 10.279 -14.324 5.815 1.00 0.00 C ATOM 392 NE ARG A 27 10.553 -15.049 7.053 1.00 0.00 N ATOM 393 CZ ARG A 27 11.463 -16.011 7.155 1.00 0.00 C ATOM 394 NH1 ARG A 27 12.183 -16.362 6.098 1.00 0.00 N ATOM 395 NH2 ARG A 27 11.655 -16.625 8.316 1.00 0.00 N ATOM 0 H ARG A 27 5.415 -15.419 7.149 1.00 0.00 H new ATOM 0 HA ARG A 27 8.141 -14.780 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.855 -14.905 5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.049 -13.363 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.181 -12.591 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.240 -12.804 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.038 -15.035 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.176 -13.790 5.501 1.00 0.00 H new ATOM 0 HE ARG A 27 10.016 -14.803 7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.039 -15.893 5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.881 -17.101 6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.103 -16.358 9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.354 -17.364 8.393 1.00 0.00 H new ATOM 409 N PHE A 28 7.312 -12.563 8.786 1.00 0.00 N ATOM 410 CA PHE A 28 6.744 -11.430 9.507 1.00 0.00 C ATOM 411 C PHE A 28 6.692 -10.190 8.619 1.00 0.00 C ATOM 412 O PHE A 28 7.722 -9.708 8.146 1.00 0.00 O ATOM 413 CB PHE A 28 7.565 -11.136 10.765 1.00 0.00 C ATOM 414 CG PHE A 28 7.030 -9.990 11.575 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.740 -10.023 12.080 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.818 -8.879 11.833 1.00 0.00 C ATOM 417 CE1 PHE A 28 5.246 -8.969 12.825 1.00 0.00 C ATOM 418 CE2 PHE A 28 7.329 -7.822 12.578 1.00 0.00 C ATOM 419 CZ PHE A 28 6.041 -7.868 13.075 1.00 0.00 C ATOM 0 H PHE A 28 8.311 -12.701 8.937 1.00 0.00 H new ATOM 0 HA PHE A 28 5.726 -11.690 9.798 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.592 -12.030 11.388 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.593 -10.917 10.476 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.114 -10.882 11.889 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.826 -8.839 11.447 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.238 -9.006 13.212 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.953 -6.962 12.771 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.656 -7.044 13.658 1.00 0.00 H new ATOM 429 N PHE A 29 5.486 -9.679 8.396 1.00 0.00 N ATOM 430 CA PHE A 29 5.298 -8.497 7.564 1.00 0.00 C ATOM 431 C PHE A 29 4.733 -7.340 8.382 1.00 0.00 C ATOM 432 O PHE A 29 3.847 -7.529 9.216 1.00 0.00 O ATOM 433 CB PHE A 29 4.364 -8.814 6.394 1.00 0.00 C ATOM 434 CG PHE A 29 4.935 -9.806 5.422 1.00 0.00 C ATOM 435 CD1 PHE A 29 4.742 -11.166 5.604 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.666 -9.378 4.325 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.268 -12.080 4.711 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.194 -10.288 3.428 1.00 0.00 C ATOM 439 CZ PHE A 29 5.993 -11.640 3.621 1.00 0.00 C ATOM 0 H PHE A 29 4.624 -10.065 8.780 1.00 0.00 H new ATOM 0 HA PHE A 29 6.271 -8.200 7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.423 -9.201 6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.132 -7.890 5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.174 -11.516 6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.825 -8.321 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.112 -13.138 4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.763 -9.942 2.578 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.402 -12.353 2.920 1.00 0.00 H new ATOM 449 N VAL A 30 5.252 -6.141 8.138 1.00 0.00 N ATOM 450 CA VAL A 30 4.800 -4.952 8.850 1.00 0.00 C ATOM 451 C VAL A 30 4.508 -3.810 7.884 1.00 0.00 C ATOM 452 O VAL A 30 5.424 -3.168 7.369 1.00 0.00 O ATOM 453 CB VAL A 30 5.845 -4.484 9.880 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.419 -3.169 10.514 1.00 0.00 C ATOM 455 CG2 VAL A 30 6.062 -5.551 10.942 1.00 0.00 C ATOM 0 H VAL A 30 5.987 -5.967 7.452 1.00 0.00 H new ATOM 0 HA VAL A 30 3.883 -5.225 9.372 1.00 0.00 H new ATOM 0 HB VAL A 30 6.791 -4.321 9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.170 -2.854 11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.320 -2.407 9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.461 -3.301 11.018 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.803 -5.203 11.661 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.122 -5.748 11.457 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.417 -6.467 10.470 1.00 0.00 H new ATOM 465 N LEU A 31 3.226 -3.561 7.642 1.00 0.00 N ATOM 466 CA LEU A 31 2.811 -2.494 6.737 1.00 0.00 C ATOM 467 C LEU A 31 3.071 -1.124 7.355 1.00 0.00 C ATOM 468 O LEU A 31 2.897 -0.931 8.557 1.00 0.00 O ATOM 469 CB LEU A 31 1.327 -2.638 6.393 1.00 0.00 C ATOM 470 CG LEU A 31 0.708 -1.488 5.600 1.00 0.00 C ATOM 471 CD1 LEU A 31 0.966 -1.666 4.112 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.786 -1.393 5.876 1.00 0.00 C ATOM 0 H LEU A 31 2.456 -4.083 8.060 1.00 0.00 H new ATOM 0 HA LEU A 31 3.399 -2.577 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.194 -3.558 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.769 -2.754 7.322 1.00 0.00 H new ATOM 0 HG LEU A 31 1.177 -0.558 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.518 -0.838 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.040 -1.684 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.525 -2.604 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.210 -0.569 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.270 -2.325 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.949 -1.217 6.939 1.00 0.00 H new ATOM 484 N ASN A 32 3.487 -0.175 6.522 1.00 0.00 N ATOM 485 CA ASN A 32 3.769 1.179 6.986 1.00 0.00 C ATOM 486 C ASN A 32 2.755 2.169 6.424 1.00 0.00 C ATOM 487 O ASN A 32 2.627 2.321 5.210 1.00 0.00 O ATOM 488 CB ASN A 32 5.184 1.595 6.580 1.00 0.00 C ATOM 489 CG ASN A 32 6.225 1.183 7.604 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.896 0.617 8.646 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.488 1.466 7.309 1.00 0.00 N ATOM 0 H ASN A 32 3.636 -0.318 5.523 1.00 0.00 H new ATOM 0 HA ASN A 32 3.693 1.187 8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.429 1.147 5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.218 2.676 6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.233 1.213 7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.714 1.937 6.433 1.00 0.00 H new ATOM 498 N ASN A 33 2.035 2.842 7.317 1.00 0.00 N ATOM 499 CA ASN A 33 1.031 3.818 6.910 1.00 0.00 C ATOM 500 C ASN A 33 1.630 5.220 6.847 1.00 0.00 C ATOM 501 O ASN A 33 1.246 6.032 6.006 1.00 0.00 O ATOM 502 CB ASN A 33 -0.151 3.800 7.881 1.00 0.00 C ATOM 503 CG ASN A 33 0.288 3.644 9.324 1.00 0.00 C ATOM 504 OD1 ASN A 33 0.877 2.630 9.699 1.00 0.00 O ATOM 505 ND2 ASN A 33 0.002 4.651 10.141 1.00 0.00 N ATOM 0 H ASN A 33 2.129 2.729 8.326 1.00 0.00 H new ATOM 0 HA ASN A 33 0.679 3.547 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.719 4.724 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.821 2.982 7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.272 4.603 11.123 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.488 5.472 9.786 1.00 0.00 H new ATOM 512 N GLU A 34 2.574 5.495 7.742 1.00 0.00 N ATOM 513 CA GLU A 34 3.226 6.799 7.787 1.00 0.00 C ATOM 514 C GLU A 34 4.153 6.986 6.590 1.00 0.00 C ATOM 515 O GLU A 34 4.284 8.088 6.059 1.00 0.00 O ATOM 516 CB GLU A 34 4.017 6.953 9.088 1.00 0.00 C ATOM 517 CG GLU A 34 4.423 8.386 9.387 1.00 0.00 C ATOM 518 CD GLU A 34 3.322 9.173 10.071 1.00 0.00 C ATOM 519 OE1 GLU A 34 2.415 8.543 10.653 1.00 0.00 O ATOM 520 OE2 GLU A 34 3.368 10.421 10.025 1.00 0.00 O ATOM 0 H GLU A 34 2.904 4.833 8.445 1.00 0.00 H new ATOM 0 HA GLU A 34 2.452 7.565 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.417 6.574 9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.913 6.334 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.310 8.384 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.696 8.884 8.457 1.00 0.00 H new ATOM 527 N ALA A 35 4.795 5.900 6.170 1.00 0.00 N ATOM 528 CA ALA A 35 5.708 5.943 5.035 1.00 0.00 C ATOM 529 C ALA A 35 5.057 5.363 3.784 1.00 0.00 C ATOM 530 O ALA A 35 5.068 5.984 2.722 1.00 0.00 O ATOM 531 CB ALA A 35 6.991 5.192 5.362 1.00 0.00 C ATOM 0 H ALA A 35 4.699 4.980 6.599 1.00 0.00 H new ATOM 0 HA ALA A 35 5.951 6.986 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.664 5.232 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.473 5.653 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.756 4.152 5.591 1.00 0.00 H new ATOM 537 N GLY A 36 4.490 4.168 3.917 1.00 0.00 N ATOM 538 CA GLY A 36 3.843 3.524 2.789 1.00 0.00 C ATOM 539 C GLY A 36 4.732 2.493 2.122 1.00 0.00 C ATOM 540 O GLY A 36 4.735 2.365 0.897 1.00 0.00 O ATOM 0 H GLY A 36 4.467 3.634 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.925 3.044 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.557 4.280 2.058 1.00 0.00 H new ATOM 544 N LEU A 37 5.489 1.757 2.928 1.00 0.00 N ATOM 545 CA LEU A 37 6.388 0.732 2.408 1.00 0.00 C ATOM 546 C LEU A 37 6.139 -0.608 3.092 1.00 0.00 C ATOM 547 O LEU A 37 5.966 -0.674 4.310 1.00 0.00 O ATOM 548 CB LEU A 37 7.844 1.156 2.606 1.00 0.00 C ATOM 549 CG LEU A 37 8.469 1.962 1.467 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.562 2.877 1.997 1.00 0.00 C ATOM 551 CD2 LEU A 37 9.022 1.033 0.396 1.00 0.00 C ATOM 0 H LEU A 37 5.498 1.851 3.944 1.00 0.00 H new ATOM 0 HA LEU A 37 6.191 0.617 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.908 1.746 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.444 0.260 2.762 1.00 0.00 H new ATOM 0 HG LEU A 37 7.692 2.580 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.995 3.442 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.137 3.567 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.338 2.278 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.463 1.624 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.785 0.388 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.215 0.420 -0.006 1.00 0.00 H new ATOM 563 N LEU A 38 6.123 -1.676 2.302 1.00 0.00 N ATOM 564 CA LEU A 38 5.898 -3.017 2.831 1.00 0.00 C ATOM 565 C LEU A 38 7.221 -3.742 3.056 1.00 0.00 C ATOM 566 O LEU A 38 7.919 -4.089 2.104 1.00 0.00 O ATOM 567 CB LEU A 38 5.017 -3.822 1.875 1.00 0.00 C ATOM 568 CG LEU A 38 4.639 -5.230 2.336 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.558 -5.169 3.404 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.178 -6.072 1.155 1.00 0.00 C ATOM 0 H LEU A 38 6.263 -1.639 1.292 1.00 0.00 H new ATOM 0 HA LEU A 38 5.389 -2.923 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.100 -3.261 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.532 -3.901 0.917 1.00 0.00 H new ATOM 0 HG LEU A 38 5.522 -5.700 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.301 -6.180 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.924 -4.603 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.672 -4.680 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.913 -7.071 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.308 -5.605 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.983 -6.144 0.423 1.00 0.00 H new ATOM 582 N GLU A 39 7.557 -3.971 4.322 1.00 0.00 N ATOM 583 CA GLU A 39 8.795 -4.658 4.671 1.00 0.00 C ATOM 584 C GLU A 39 8.505 -6.030 5.272 1.00 0.00 C ATOM 585 O GLU A 39 7.375 -6.323 5.662 1.00 0.00 O ATOM 586 CB GLU A 39 9.609 -3.818 5.658 1.00 0.00 C ATOM 587 CG GLU A 39 9.515 -2.322 5.406 1.00 0.00 C ATOM 588 CD GLU A 39 10.538 -1.532 6.199 1.00 0.00 C ATOM 589 OE1 GLU A 39 11.083 -2.082 7.179 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.793 -0.364 5.839 1.00 0.00 O ATOM 0 H GLU A 39 6.990 -3.691 5.122 1.00 0.00 H new ATOM 0 HA GLU A 39 9.374 -4.796 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.267 -4.030 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.654 -4.122 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.655 -2.127 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.514 -1.976 5.664 1.00 0.00 H new ATOM 597 N TYR A 40 9.534 -6.867 5.342 1.00 0.00 N ATOM 598 CA TYR A 40 9.391 -8.210 5.892 1.00 0.00 C ATOM 599 C TYR A 40 10.711 -8.704 6.475 1.00 0.00 C ATOM 600 O TYR A 40 11.766 -8.573 5.853 1.00 0.00 O ATOM 601 CB TYR A 40 8.904 -9.177 4.812 1.00 0.00 C ATOM 602 CG TYR A 40 9.971 -9.549 3.807 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.171 -8.787 2.662 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.777 -10.664 4.001 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.144 -9.123 1.741 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.753 -11.007 3.085 1.00 0.00 C ATOM 607 CZ TYR A 40 11.933 -10.234 1.957 1.00 0.00 C ATOM 608 OH TYR A 40 12.903 -10.573 1.042 1.00 0.00 O ATOM 0 H TYR A 40 10.476 -6.639 5.025 1.00 0.00 H new ATOM 0 HA TYR A 40 8.654 -8.170 6.694 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.534 -10.084 5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.062 -8.727 4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.555 -7.917 2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.638 -11.273 4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.286 -8.519 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.372 -11.876 3.252 1.00 0.00 H new ATOM 0 HH TYR A 40 13.370 -11.380 1.344 1.00 0.00 H new ATOM 618 N PHE A 41 10.645 -9.274 7.673 1.00 0.00 N ATOM 619 CA PHE A 41 11.835 -9.788 8.342 1.00 0.00 C ATOM 620 C PHE A 41 11.674 -11.268 8.677 1.00 0.00 C ATOM 621 O PHE A 41 10.574 -11.731 8.981 1.00 0.00 O ATOM 622 CB PHE A 41 12.112 -8.992 9.619 1.00 0.00 C ATOM 623 CG PHE A 41 12.014 -7.505 9.432 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.785 -6.867 9.482 1.00 0.00 C ATOM 625 CD2 PHE A 41 13.150 -6.745 9.206 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.691 -5.499 9.309 1.00 0.00 C ATOM 627 CE2 PHE A 41 13.062 -5.376 9.033 1.00 0.00 C ATOM 628 CZ PHE A 41 11.831 -4.752 9.086 1.00 0.00 C ATOM 0 H PHE A 41 9.780 -9.392 8.201 1.00 0.00 H new ATOM 0 HA PHE A 41 12.680 -9.677 7.662 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.406 -9.300 10.390 1.00 0.00 H new ATOM 0 HB3 PHE A 41 13.109 -9.239 9.983 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.890 -7.445 9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.115 -7.227 9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.727 -5.014 9.348 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.955 -4.795 8.857 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.760 -3.683 8.953 1.00 0.00 H new ATOM 638 N VAL A 42 12.778 -12.005 8.618 1.00 0.00 N ATOM 639 CA VAL A 42 12.761 -13.433 8.915 1.00 0.00 C ATOM 640 C VAL A 42 11.781 -13.748 10.040 1.00 0.00 C ATOM 641 O VAL A 42 11.093 -14.767 10.010 1.00 0.00 O ATOM 642 CB VAL A 42 14.160 -13.940 9.311 1.00 0.00 C ATOM 643 CG1 VAL A 42 14.116 -15.424 9.642 1.00 0.00 C ATOM 644 CG2 VAL A 42 15.161 -13.663 8.200 1.00 0.00 C ATOM 0 H VAL A 42 13.696 -11.637 8.367 1.00 0.00 H new ATOM 0 HA VAL A 42 12.442 -13.942 8.006 1.00 0.00 H new ATOM 0 HB VAL A 42 14.483 -13.403 10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.114 -15.765 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.431 -15.591 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.772 -15.981 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.144 -14.028 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.845 -14.172 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.213 -12.590 8.016 1.00 0.00 H new ATOM 654 N ASN A 43 11.723 -12.865 11.032 1.00 0.00 N ATOM 655 CA ASN A 43 10.827 -13.049 12.168 1.00 0.00 C ATOM 656 C ASN A 43 10.630 -11.739 12.923 1.00 0.00 C ATOM 657 O ASN A 43 11.303 -10.746 12.649 1.00 0.00 O ATOM 658 CB ASN A 43 11.380 -14.118 13.113 1.00 0.00 C ATOM 659 CG ASN A 43 12.759 -13.767 13.637 1.00 0.00 C ATOM 660 OD1 ASN A 43 13.213 -12.629 13.511 1.00 0.00 O ATOM 661 ND2 ASN A 43 13.434 -14.746 14.230 1.00 0.00 N ATOM 0 H ASN A 43 12.286 -12.015 11.072 1.00 0.00 H new ATOM 0 HA ASN A 43 9.860 -13.377 11.787 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.697 -14.246 13.953 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.425 -15.073 12.590 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.367 -14.569 14.603 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.019 -15.674 14.313 1.00 0.00 H new ATOM 668 N GLU A 44 9.702 -11.745 13.876 1.00 0.00 N ATOM 669 CA GLU A 44 9.417 -10.556 14.670 1.00 0.00 C ATOM 670 C GLU A 44 10.656 -10.103 15.436 1.00 0.00 C ATOM 671 O GLU A 44 10.994 -8.920 15.446 1.00 0.00 O ATOM 672 CB GLU A 44 8.272 -10.831 15.647 1.00 0.00 C ATOM 673 CG GLU A 44 7.843 -9.610 16.442 1.00 0.00 C ATOM 674 CD GLU A 44 8.637 -9.438 17.723 1.00 0.00 C ATOM 675 OE1 GLU A 44 9.740 -8.856 17.664 1.00 0.00 O ATOM 676 OE2 GLU A 44 8.154 -9.886 18.784 1.00 0.00 O ATOM 0 H GLU A 44 9.136 -12.559 14.116 1.00 0.00 H new ATOM 0 HA GLU A 44 9.121 -9.758 13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.415 -11.212 15.091 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.577 -11.616 16.339 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.960 -8.720 15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.783 -9.693 16.684 1.00 0.00 H new ATOM 683 N GLN A 45 11.329 -11.054 16.077 1.00 0.00 N ATOM 684 CA GLN A 45 12.530 -10.753 16.847 1.00 0.00 C ATOM 685 C GLN A 45 13.474 -9.856 16.054 1.00 0.00 C ATOM 686 O GLN A 45 14.053 -8.914 16.595 1.00 0.00 O ATOM 687 CB GLN A 45 13.246 -12.046 17.241 1.00 0.00 C ATOM 688 CG GLN A 45 12.482 -12.878 18.258 1.00 0.00 C ATOM 689 CD GLN A 45 13.167 -14.195 18.566 1.00 0.00 C ATOM 690 OE1 GLN A 45 13.057 -15.158 17.807 1.00 0.00 O ATOM 691 NE2 GLN A 45 13.881 -14.244 19.685 1.00 0.00 N ATOM 0 H GLN A 45 11.063 -12.039 16.078 1.00 0.00 H new ATOM 0 HA GLN A 45 12.229 -10.223 17.751 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.414 -12.645 16.346 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.226 -11.799 17.649 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.370 -12.306 19.179 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.478 -13.074 17.881 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.945 -13.422 20.285 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.365 -15.104 19.944 1.00 0.00 H new ATOM 700 N SER A 46 13.626 -10.155 14.768 1.00 0.00 N ATOM 701 CA SER A 46 14.504 -9.378 13.900 1.00 0.00 C ATOM 702 C SER A 46 13.702 -8.382 13.068 1.00 0.00 C ATOM 703 O SER A 46 13.933 -8.231 11.868 1.00 0.00 O ATOM 704 CB SER A 46 15.298 -10.306 12.980 1.00 0.00 C ATOM 705 OG SER A 46 16.555 -9.743 12.649 1.00 0.00 O ATOM 0 H SER A 46 13.153 -10.930 14.304 1.00 0.00 H new ATOM 0 HA SER A 46 15.198 -8.822 14.530 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.445 -11.269 13.469 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.729 -10.494 12.069 1.00 0.00 H new ATOM 0 HG SER A 46 17.044 -10.356 12.061 1.00 0.00 H new ATOM 711 N ARG A 47 12.759 -7.704 13.714 1.00 0.00 N ATOM 712 CA ARG A 47 11.921 -6.723 13.035 1.00 0.00 C ATOM 713 C ARG A 47 12.652 -5.391 12.891 1.00 0.00 C ATOM 714 O ARG A 47 12.567 -4.734 11.855 1.00 0.00 O ATOM 715 CB ARG A 47 10.613 -6.520 13.801 1.00 0.00 C ATOM 716 CG ARG A 47 10.792 -5.812 15.134 1.00 0.00 C ATOM 717 CD ARG A 47 9.456 -5.562 15.816 1.00 0.00 C ATOM 718 NE ARG A 47 9.614 -4.882 17.098 1.00 0.00 N ATOM 719 CZ ARG A 47 9.909 -3.592 17.215 1.00 0.00 C ATOM 720 NH1 ARG A 47 10.076 -2.846 16.131 1.00 0.00 N ATOM 721 NH2 ARG A 47 10.037 -3.045 18.417 1.00 0.00 N ATOM 0 H ARG A 47 12.556 -7.816 14.707 1.00 0.00 H new ATOM 0 HA ARG A 47 11.694 -7.103 12.039 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.925 -5.944 13.182 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.149 -7.491 13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.427 -6.414 15.784 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.305 -4.863 14.977 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.823 -4.962 15.163 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.945 -6.512 15.970 1.00 0.00 H new ATOM 0 HE ARG A 47 9.491 -5.427 17.951 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.978 -3.263 15.205 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.302 -1.856 16.223 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.909 -3.615 19.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.264 -2.054 18.505 1.00 0.00 H new ATOM 735 N ASN A 48 13.368 -4.999 13.940 1.00 0.00 N ATOM 736 CA ASN A 48 14.113 -3.745 13.931 1.00 0.00 C ATOM 737 C ASN A 48 15.324 -3.838 13.007 1.00 0.00 C ATOM 738 O ASN A 48 15.615 -2.908 12.256 1.00 0.00 O ATOM 739 CB ASN A 48 14.564 -3.386 15.348 1.00 0.00 C ATOM 740 CG ASN A 48 15.101 -1.971 15.443 1.00 0.00 C ATOM 741 OD1 ASN A 48 15.864 -1.526 14.586 1.00 0.00 O ATOM 742 ND2 ASN A 48 14.702 -1.256 16.489 1.00 0.00 N ATOM 0 H ASN A 48 13.448 -5.531 14.806 1.00 0.00 H new ATOM 0 HA ASN A 48 13.453 -2.962 13.558 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.724 -3.500 16.033 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.335 -4.087 15.669 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.029 -0.297 16.606 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.068 -1.666 17.175 1.00 0.00 H new ATOM 749 N GLN A 49 16.024 -4.966 13.070 1.00 0.00 N ATOM 750 CA GLN A 49 17.203 -5.179 12.240 1.00 0.00 C ATOM 751 C GLN A 49 16.916 -4.823 10.785 1.00 0.00 C ATOM 752 O GLN A 49 15.761 -4.668 10.389 1.00 0.00 O ATOM 753 CB GLN A 49 17.667 -6.634 12.339 1.00 0.00 C ATOM 754 CG GLN A 49 19.164 -6.810 12.147 1.00 0.00 C ATOM 755 CD GLN A 49 19.974 -5.756 12.876 1.00 0.00 C ATOM 756 OE1 GLN A 49 19.971 -5.695 14.105 1.00 0.00 O ATOM 757 NE2 GLN A 49 20.674 -4.918 12.119 1.00 0.00 N ATOM 0 H GLN A 49 15.795 -5.746 13.687 1.00 0.00 H new ATOM 0 HA GLN A 49 17.996 -4.526 12.605 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.385 -7.031 13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.141 -7.226 11.590 1.00 0.00 H new ATOM 0 HG2 GLN A 49 19.458 -7.798 12.501 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.397 -6.770 11.083 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.647 -5.005 11.103 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.238 -4.188 12.554 1.00 0.00 H new ATOM 766 N LYS A 50 17.975 -4.695 9.992 1.00 0.00 N ATOM 767 CA LYS A 50 17.838 -4.358 8.580 1.00 0.00 C ATOM 768 C LYS A 50 16.821 -5.269 7.900 1.00 0.00 C ATOM 769 O LYS A 50 16.902 -6.495 7.975 1.00 0.00 O ATOM 770 CB LYS A 50 19.191 -4.470 7.875 1.00 0.00 C ATOM 771 CG LYS A 50 19.314 -3.579 6.650 1.00 0.00 C ATOM 772 CD LYS A 50 19.798 -2.187 7.020 1.00 0.00 C ATOM 773 CE LYS A 50 21.312 -2.139 7.152 1.00 0.00 C ATOM 774 NZ LYS A 50 21.973 -1.836 5.852 1.00 0.00 N ATOM 0 H LYS A 50 18.938 -4.820 10.304 1.00 0.00 H new ATOM 0 HA LYS A 50 17.483 -3.330 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.981 -4.214 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.352 -5.506 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.007 -4.029 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.347 -3.509 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.475 -1.475 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.340 -1.880 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.589 -1.382 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.674 -3.095 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.004 -1.812 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.730 -2.572 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.647 -0.912 5.504 1.00 0.00 H new ATOM 788 N PRO A 51 15.841 -4.658 7.218 1.00 0.00 N ATOM 789 CA PRO A 51 14.791 -5.396 6.509 1.00 0.00 C ATOM 790 C PRO A 51 15.324 -6.126 5.281 1.00 0.00 C ATOM 791 O PRO A 51 16.068 -5.556 4.482 1.00 0.00 O ATOM 792 CB PRO A 51 13.807 -4.300 6.093 1.00 0.00 C ATOM 793 CG PRO A 51 14.628 -3.059 6.023 1.00 0.00 C ATOM 794 CD PRO A 51 15.683 -3.200 7.085 1.00 0.00 C ATOM 0 HA PRO A 51 14.348 -6.173 7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.348 -4.525 5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.998 -4.199 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.079 -2.945 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.015 -2.175 6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.616 -2.720 6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.372 -2.742 8.024 1.00 0.00 H new ATOM 802 N ARG A 52 14.939 -7.390 5.136 1.00 0.00 N ATOM 803 CA ARG A 52 15.378 -8.198 4.005 1.00 0.00 C ATOM 804 C ARG A 52 15.012 -7.529 2.683 1.00 0.00 C ATOM 805 O ARG A 52 15.807 -7.508 1.745 1.00 0.00 O ATOM 806 CB ARG A 52 14.754 -9.593 4.074 1.00 0.00 C ATOM 807 CG ARG A 52 15.158 -10.381 5.309 1.00 0.00 C ATOM 808 CD ARG A 52 16.493 -11.082 5.110 1.00 0.00 C ATOM 809 NE ARG A 52 16.393 -12.190 4.163 1.00 0.00 N ATOM 810 CZ ARG A 52 17.394 -13.021 3.896 1.00 0.00 C ATOM 811 NH1 ARG A 52 18.564 -12.870 4.501 1.00 0.00 N ATOM 812 NH2 ARG A 52 17.226 -14.005 3.022 1.00 0.00 N ATOM 0 H ARG A 52 14.324 -7.876 5.788 1.00 0.00 H new ATOM 0 HA ARG A 52 16.463 -8.290 4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.668 -9.497 4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.041 -10.155 3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.222 -9.710 6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.389 -11.119 5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.230 -10.364 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.853 -11.456 6.069 1.00 0.00 H new ATOM 0 HE ARG A 52 15.506 -12.333 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.697 -12.114 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.331 -13.509 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.327 -14.124 2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.996 -14.643 2.818 1.00 0.00 H new ATOM 826 N GLY A 53 13.800 -6.984 2.618 1.00 0.00 N ATOM 827 CA GLY A 53 13.349 -6.323 1.407 1.00 0.00 C ATOM 828 C GLY A 53 12.190 -5.380 1.660 1.00 0.00 C ATOM 829 O GLY A 53 11.424 -5.564 2.606 1.00 0.00 O ATOM 0 H GLY A 53 13.124 -6.989 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.178 -5.766 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.050 -7.074 0.676 1.00 0.00 H new ATOM 833 N THR A 54 12.059 -4.365 0.812 1.00 0.00 N ATOM 834 CA THR A 54 10.987 -3.387 0.949 1.00 0.00 C ATOM 835 C THR A 54 10.333 -3.096 -0.397 1.00 0.00 C ATOM 836 O THR A 54 10.984 -3.153 -1.441 1.00 0.00 O ATOM 837 CB THR A 54 11.504 -2.067 1.551 1.00 0.00 C ATOM 838 OG1 THR A 54 12.241 -1.335 0.567 1.00 0.00 O ATOM 839 CG2 THR A 54 12.388 -2.334 2.760 1.00 0.00 C ATOM 0 H THR A 54 12.683 -4.199 0.022 1.00 0.00 H new ATOM 0 HA THR A 54 10.248 -3.821 1.623 1.00 0.00 H new ATOM 0 HB THR A 54 10.645 -1.478 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.565 -0.496 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.742 -1.387 3.168 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.815 -2.865 3.520 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.242 -2.941 2.459 1.00 0.00 H new ATOM 847 N LEU A 55 9.042 -2.784 -0.367 1.00 0.00 N ATOM 848 CA LEU A 55 8.299 -2.483 -1.586 1.00 0.00 C ATOM 849 C LEU A 55 7.407 -1.261 -1.392 1.00 0.00 C ATOM 850 O LEU A 55 6.796 -1.088 -0.338 1.00 0.00 O ATOM 851 CB LEU A 55 7.451 -3.687 -2.000 1.00 0.00 C ATOM 852 CG LEU A 55 6.574 -3.495 -3.238 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.416 -3.543 -4.503 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.479 -4.551 -3.283 1.00 0.00 C ATOM 0 H LEU A 55 8.488 -2.733 0.488 1.00 0.00 H new ATOM 0 HA LEU A 55 9.018 -2.264 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.117 -4.531 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.809 -3.959 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 55 6.104 -2.514 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.774 -3.404 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.163 -2.750 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.916 -4.509 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.864 -4.400 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.931 -5.542 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.857 -4.468 -2.392 1.00 0.00 H new ATOM 866 N GLN A 56 7.336 -0.417 -2.417 1.00 0.00 N ATOM 867 CA GLN A 56 6.517 0.788 -2.359 1.00 0.00 C ATOM 868 C GLN A 56 5.076 0.485 -2.753 1.00 0.00 C ATOM 869 O GLN A 56 4.814 -0.039 -3.837 1.00 0.00 O ATOM 870 CB GLN A 56 7.094 1.866 -3.277 1.00 0.00 C ATOM 871 CG GLN A 56 8.116 2.763 -2.595 1.00 0.00 C ATOM 872 CD GLN A 56 9.042 3.446 -3.581 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.779 3.471 -4.784 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.136 4.006 -3.076 1.00 0.00 N ATOM 0 H GLN A 56 7.836 -0.546 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 56 6.524 1.154 -1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.560 1.387 -4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.279 2.482 -3.658 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.595 3.519 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.707 2.169 -1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.315 3.962 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.797 4.480 -3.692 1.00 0.00 H new ATOM 883 N LEU A 57 4.143 0.819 -1.868 1.00 0.00 N ATOM 884 CA LEU A 57 2.726 0.583 -2.123 1.00 0.00 C ATOM 885 C LEU A 57 2.110 1.749 -2.890 1.00 0.00 C ATOM 886 O LEU A 57 1.213 1.559 -3.711 1.00 0.00 O ATOM 887 CB LEU A 57 1.979 0.371 -0.806 1.00 0.00 C ATOM 888 CG LEU A 57 2.241 -0.955 -0.090 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.684 -0.917 1.324 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.637 -2.111 -0.873 1.00 0.00 C ATOM 0 H LEU A 57 4.342 1.254 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 57 2.636 -0.316 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.240 1.184 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.910 0.450 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 57 3.319 -1.107 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.880 -1.869 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.163 -0.113 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.609 -0.742 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.833 -3.047 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.561 -1.965 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.084 -2.151 -1.866 1.00 0.00 H new ATOM 902 N ALA A 58 2.597 2.954 -2.616 1.00 0.00 N ATOM 903 CA ALA A 58 2.097 4.150 -3.283 1.00 0.00 C ATOM 904 C ALA A 58 1.970 3.928 -4.786 1.00 0.00 C ATOM 905 O ALA A 58 2.927 4.120 -5.534 1.00 0.00 O ATOM 906 CB ALA A 58 3.010 5.334 -2.997 1.00 0.00 C ATOM 0 H ALA A 58 3.338 3.128 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 58 1.104 4.367 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.625 6.220 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.046 5.514 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.014 5.116 -3.362 1.00 0.00 H new ATOM 912 N GLY A 59 0.781 3.522 -5.221 1.00 0.00 N ATOM 913 CA GLY A 59 0.552 3.279 -6.633 1.00 0.00 C ATOM 914 C GLY A 59 0.616 1.807 -6.987 1.00 0.00 C ATOM 915 O GLY A 59 0.907 1.448 -8.127 1.00 0.00 O ATOM 0 H GLY A 59 -0.027 3.357 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.425 3.674 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.295 3.822 -7.217 1.00 0.00 H new ATOM 919 N ALA A 60 0.345 0.952 -6.006 1.00 0.00 N ATOM 920 CA ALA A 60 0.374 -0.490 -6.220 1.00 0.00 C ATOM 921 C ALA A 60 -1.025 -1.031 -6.497 1.00 0.00 C ATOM 922 O ALA A 60 -2.012 -0.299 -6.418 1.00 0.00 O ATOM 923 CB ALA A 60 0.983 -1.190 -5.015 1.00 0.00 C ATOM 0 H ALA A 60 0.103 1.233 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 60 0.993 -0.691 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.998 -2.266 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.001 -0.832 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.386 -0.974 -4.129 1.00 0.00 H new ATOM 929 N VAL A 61 -1.102 -2.317 -6.823 1.00 0.00 N ATOM 930 CA VAL A 61 -2.381 -2.957 -7.112 1.00 0.00 C ATOM 931 C VAL A 61 -2.467 -4.332 -6.459 1.00 0.00 C ATOM 932 O VAL A 61 -1.524 -5.122 -6.525 1.00 0.00 O ATOM 933 CB VAL A 61 -2.604 -3.106 -8.628 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.694 -4.128 -8.910 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.948 -1.762 -9.250 1.00 0.00 C ATOM 0 H VAL A 61 -0.295 -2.936 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.158 -2.313 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.679 -3.464 -9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.837 -4.219 -9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.402 -5.094 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.626 -3.804 -8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.102 -1.886 -10.322 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.859 -1.373 -8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.130 -1.062 -9.080 1.00 0.00 H new ATOM 945 N ILE A 62 -3.603 -4.612 -5.829 1.00 0.00 N ATOM 946 CA ILE A 62 -3.812 -5.892 -5.165 1.00 0.00 C ATOM 947 C ILE A 62 -4.729 -6.793 -5.986 1.00 0.00 C ATOM 948 O ILE A 62 -5.928 -6.538 -6.099 1.00 0.00 O ATOM 949 CB ILE A 62 -4.417 -5.706 -3.761 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.438 -4.956 -2.856 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.778 -7.055 -3.157 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.393 -3.467 -3.118 1.00 0.00 C ATOM 0 H ILE A 62 -4.393 -3.969 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.833 -6.362 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.328 -5.114 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.715 -5.125 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.439 -5.371 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.204 -6.907 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.507 -7.556 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.882 -7.670 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.678 -3.000 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.087 -3.288 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.382 -3.039 -2.954 1.00 0.00 H new ATOM 964 N SER A 63 -4.157 -7.849 -6.555 1.00 0.00 N ATOM 965 CA SER A 63 -4.922 -8.788 -7.368 1.00 0.00 C ATOM 966 C SER A 63 -4.969 -10.163 -6.709 1.00 0.00 C ATOM 967 O SER A 63 -4.065 -10.985 -6.864 1.00 0.00 O ATOM 968 CB SER A 63 -4.312 -8.900 -8.766 1.00 0.00 C ATOM 969 OG SER A 63 -4.753 -7.843 -9.601 1.00 0.00 O ATOM 0 H SER A 63 -3.166 -8.076 -6.468 1.00 0.00 H new ATOM 0 HA SER A 63 -5.941 -8.410 -7.454 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.225 -8.881 -8.694 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.586 -9.857 -9.210 1.00 0.00 H new ATOM 0 HG SER A 63 -4.348 -7.936 -10.488 1.00 0.00 H new ATOM 975 N PRO A 64 -6.048 -10.421 -5.955 1.00 0.00 N ATOM 976 CA PRO A 64 -6.240 -11.696 -5.258 1.00 0.00 C ATOM 977 C PRO A 64 -6.515 -12.847 -6.220 1.00 0.00 C ATOM 978 O PRO A 64 -7.446 -12.788 -7.023 1.00 0.00 O ATOM 979 CB PRO A 64 -7.461 -11.436 -4.372 1.00 0.00 C ATOM 980 CG PRO A 64 -8.206 -10.347 -5.065 1.00 0.00 C ATOM 981 CD PRO A 64 -7.164 -9.488 -5.726 1.00 0.00 C ATOM 0 HA PRO A 64 -5.350 -11.995 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.074 -12.332 -4.269 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.164 -11.136 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.899 -10.755 -5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.798 -9.767 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.529 -9.061 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.867 -8.655 -5.089 1.00 0.00 H new ATOM 989 N SER A 65 -5.700 -13.893 -6.132 1.00 0.00 N ATOM 990 CA SER A 65 -5.854 -15.057 -6.997 1.00 0.00 C ATOM 991 C SER A 65 -7.108 -15.844 -6.631 1.00 0.00 C ATOM 992 O SER A 65 -7.842 -15.473 -5.715 1.00 0.00 O ATOM 993 CB SER A 65 -4.624 -15.961 -6.897 1.00 0.00 C ATOM 994 OG SER A 65 -3.498 -15.359 -7.512 1.00 0.00 O ATOM 0 H SER A 65 -4.926 -13.958 -5.471 1.00 0.00 H new ATOM 0 HA SER A 65 -5.954 -14.704 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.404 -16.166 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.833 -16.919 -7.373 1.00 0.00 H new ATOM 0 HG SER A 65 -2.724 -15.955 -7.433 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.348 -16.933 -7.353 1.00 0.00 N ATOM 1001 CA ASP A 66 -8.512 -17.775 -7.104 1.00 0.00 C ATOM 1002 C ASP A 66 -8.094 -19.217 -6.835 1.00 0.00 C ATOM 1003 O ASP A 66 -8.791 -19.956 -6.141 1.00 0.00 O ATOM 1004 CB ASP A 66 -9.470 -17.723 -8.296 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.422 -16.545 -8.223 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -10.068 -15.464 -8.737 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -11.520 -16.704 -7.650 1.00 0.00 O ATOM 0 H ASP A 66 -6.752 -17.253 -8.116 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.022 -17.393 -6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.894 -17.664 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.044 -18.648 -8.337 1.00 0.00 H new ATOM 1012 N GLU A 67 -6.951 -19.609 -7.390 1.00 0.00 N ATOM 1013 CA GLU A 67 -6.441 -20.963 -7.211 1.00 0.00 C ATOM 1014 C GLU A 67 -6.777 -21.492 -5.819 1.00 0.00 C ATOM 1015 O GLU A 67 -7.670 -22.324 -5.659 1.00 0.00 O ATOM 1016 CB GLU A 67 -4.927 -20.995 -7.429 1.00 0.00 C ATOM 1017 CG GLU A 67 -4.524 -21.241 -8.873 1.00 0.00 C ATOM 1018 CD GLU A 67 -4.559 -22.710 -9.246 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -3.607 -23.435 -8.889 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -5.537 -23.135 -9.895 1.00 0.00 O ATOM 0 H GLU A 67 -6.362 -19.009 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.921 -21.605 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.501 -20.048 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.495 -21.775 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.192 -20.687 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.519 -20.852 -9.037 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.056 -21.002 -4.817 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.276 -21.424 -3.439 1.00 0.00 C ATOM 1029 C ASP A 68 -7.133 -20.407 -2.690 1.00 0.00 C ATOM 1030 O ASP A 68 -6.977 -19.199 -2.868 1.00 0.00 O ATOM 1031 CB ASP A 68 -4.940 -21.611 -2.720 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.405 -23.024 -2.849 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -5.102 -23.964 -2.414 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.290 -23.189 -3.387 1.00 0.00 O ATOM 0 H ASP A 68 -5.314 -20.312 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.806 -22.377 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.211 -20.911 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.061 -21.367 -1.665 1.00 0.00 H new ATOM 1039 N SER A 69 -8.038 -20.905 -1.854 1.00 0.00 N ATOM 1040 CA SER A 69 -8.923 -20.040 -1.082 1.00 0.00 C ATOM 1041 C SER A 69 -8.148 -18.877 -0.471 1.00 0.00 C ATOM 1042 O SER A 69 -8.646 -17.752 -0.402 1.00 0.00 O ATOM 1043 CB SER A 69 -9.618 -20.840 0.021 1.00 0.00 C ATOM 1044 OG SER A 69 -10.146 -22.054 -0.485 1.00 0.00 O ATOM 0 H SER A 69 -8.178 -21.903 -1.694 1.00 0.00 H new ATOM 0 HA SER A 69 -9.677 -19.636 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.909 -21.054 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.420 -20.244 0.456 1.00 0.00 H new ATOM 0 HG SER A 69 -10.584 -22.548 0.240 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.926 -19.155 -0.029 1.00 0.00 N ATOM 1051 CA HIS A 70 -6.080 -18.132 0.576 1.00 0.00 C ATOM 1052 C HIS A 70 -4.906 -17.789 -0.335 1.00 0.00 C ATOM 1053 O HIS A 70 -3.955 -18.562 -0.458 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.565 -18.605 1.936 1.00 0.00 C ATOM 1055 CG HIS A 70 -6.533 -19.479 2.672 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.872 -19.624 2.540 1.00 0.00 N flip ATOM 1057 CD2 HIS A 70 -6.154 -20.337 3.683 1.00 0.00 C flip ATOM 1058 CE1 HIS A 70 -8.274 -20.558 3.464 1.00 0.00 C flip ATOM 1059 NE2 HIS A 70 -7.218 -20.973 4.140 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.499 -20.080 -0.078 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.682 -17.234 0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.632 -19.150 1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.334 -17.735 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.145 -20.468 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.288 -20.898 3.613 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.223 -21.667 4.888 1.00 0.00 H new ATOM 1068 N THR A 71 -4.978 -16.625 -0.974 1.00 0.00 N ATOM 1069 CA THR A 71 -3.922 -16.181 -1.875 1.00 0.00 C ATOM 1070 C THR A 71 -4.111 -14.720 -2.265 1.00 0.00 C ATOM 1071 O THR A 71 -5.236 -14.222 -2.322 1.00 0.00 O ATOM 1072 CB THR A 71 -3.877 -17.040 -3.153 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.328 -18.368 -2.867 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.466 -17.089 -3.721 1.00 0.00 C ATOM 0 H THR A 71 -5.757 -15.973 -0.884 1.00 0.00 H new ATOM 0 HA THR A 71 -2.980 -16.292 -1.338 1.00 0.00 H new ATOM 0 HB THR A 71 -4.535 -16.586 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.760 -18.764 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.458 -17.701 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.137 -16.079 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.791 -17.522 -2.983 1.00 0.00 H new ATOM 1082 N PHE A 72 -3.004 -14.036 -2.534 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.048 -12.630 -2.919 1.00 0.00 C ATOM 1084 C PHE A 72 -1.656 -12.122 -3.284 1.00 0.00 C ATOM 1085 O PHE A 72 -0.651 -12.585 -2.743 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.629 -11.786 -1.782 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.792 -11.802 -0.535 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.932 -12.818 0.396 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.865 -10.801 -0.295 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -2.163 -12.835 1.545 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -1.093 -10.812 0.852 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.242 -11.831 1.772 1.00 0.00 C ATOM 0 H PHE A 72 -2.065 -14.433 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.690 -12.539 -3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.738 -10.757 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.628 -12.150 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.650 -13.606 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.744 -10.003 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.282 -13.632 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.375 -10.025 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.639 -11.843 2.668 1.00 0.00 H new ATOM 1102 N THR A 73 -1.605 -11.166 -4.207 1.00 0.00 N ATOM 1103 CA THR A 73 -0.338 -10.596 -4.646 1.00 0.00 C ATOM 1104 C THR A 73 -0.350 -9.076 -4.533 1.00 0.00 C ATOM 1105 O THR A 73 -1.384 -8.437 -4.730 1.00 0.00 O ATOM 1106 CB THR A 73 -0.020 -10.988 -6.102 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.071 -10.546 -6.969 1.00 0.00 O ATOM 1108 CG2 THR A 73 0.151 -12.494 -6.231 1.00 0.00 C ATOM 0 H THR A 73 -2.427 -10.771 -4.664 1.00 0.00 H new ATOM 0 HA THR A 73 0.434 -11.000 -3.991 1.00 0.00 H new ATOM 0 HB THR A 73 0.914 -10.506 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.915 -10.965 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.375 -12.747 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.970 -12.823 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.769 -12.992 -5.926 1.00 0.00 H new ATOM 1116 N VAL A 74 0.806 -8.502 -4.215 1.00 0.00 N ATOM 1117 CA VAL A 74 0.928 -7.055 -4.077 1.00 0.00 C ATOM 1118 C VAL A 74 1.809 -6.471 -5.175 1.00 0.00 C ATOM 1119 O VAL A 74 3.030 -6.409 -5.039 1.00 0.00 O ATOM 1120 CB VAL A 74 1.514 -6.670 -2.705 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.712 -5.164 -2.613 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.614 -7.167 -1.584 1.00 0.00 C ATOM 0 H VAL A 74 1.671 -9.016 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.077 -6.643 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 74 2.488 -7.148 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.127 -4.910 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.399 -4.839 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.753 -4.662 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.043 -6.887 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.374 -6.719 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.528 -8.252 -1.640 1.00 0.00 H new ATOM 1132 N ASN A 75 1.180 -6.044 -6.266 1.00 0.00 N ATOM 1133 CA ASN A 75 1.907 -5.464 -7.389 1.00 0.00 C ATOM 1134 C ASN A 75 2.485 -4.101 -7.018 1.00 0.00 C ATOM 1135 O ASN A 75 2.193 -3.562 -5.952 1.00 0.00 O ATOM 1136 CB ASN A 75 0.985 -5.326 -8.603 1.00 0.00 C ATOM 1137 CG ASN A 75 0.903 -6.604 -9.414 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.850 -6.974 -10.109 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.233 -7.286 -9.330 1.00 0.00 N ATOM 0 H ASN A 75 0.169 -6.089 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 75 2.731 -6.132 -7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.014 -5.047 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.345 -4.517 -9.239 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.347 -8.154 -9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.992 -6.942 -8.742 1.00 0.00 H new ATOM 1146 N ALA A 76 3.306 -3.551 -7.907 1.00 0.00 N ATOM 1147 CA ALA A 76 3.923 -2.251 -7.675 1.00 0.00 C ATOM 1148 C ALA A 76 4.095 -1.484 -8.982 1.00 0.00 C ATOM 1149 O ALA A 76 4.644 -2.007 -9.951 1.00 0.00 O ATOM 1150 CB ALA A 76 5.265 -2.421 -6.979 1.00 0.00 C ATOM 0 H ALA A 76 3.559 -3.986 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 76 3.262 -1.672 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.715 -1.442 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.118 -2.921 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.926 -3.022 -7.604 1.00 0.00 H new ATOM 1156 N ALA A 77 3.622 -0.242 -9.000 1.00 0.00 N ATOM 1157 CA ALA A 77 3.725 0.597 -10.187 1.00 0.00 C ATOM 1158 C ALA A 77 5.078 0.420 -10.868 1.00 0.00 C ATOM 1159 O ALA A 77 5.151 0.013 -12.028 1.00 0.00 O ATOM 1160 CB ALA A 77 3.503 2.057 -9.822 1.00 0.00 C ATOM 0 H ALA A 77 3.164 0.205 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 77 2.951 0.288 -10.889 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.583 2.672 -10.718 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.511 2.176 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.256 2.370 -9.099 1.00 0.00 H new ATOM 1166 N SER A 78 6.147 0.730 -10.141 1.00 0.00 N ATOM 1167 CA SER A 78 7.497 0.609 -10.677 1.00 0.00 C ATOM 1168 C SER A 78 7.636 -0.654 -11.521 1.00 0.00 C ATOM 1169 O SER A 78 8.144 -0.613 -12.641 1.00 0.00 O ATOM 1170 CB SER A 78 8.521 0.592 -9.540 1.00 0.00 C ATOM 1171 OG SER A 78 9.796 1.008 -9.996 1.00 0.00 O ATOM 0 H SER A 78 6.104 1.067 -9.179 1.00 0.00 H new ATOM 0 HA SER A 78 7.687 1.473 -11.314 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.187 1.248 -8.736 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.590 -0.413 -9.124 1.00 0.00 H new ATOM 0 HG SER A 78 10.432 0.990 -9.251 1.00 0.00 H new ATOM 1177 N GLY A 79 7.181 -1.777 -10.974 1.00 0.00 N ATOM 1178 CA GLY A 79 7.263 -3.037 -11.689 1.00 0.00 C ATOM 1179 C GLY A 79 7.746 -4.173 -10.808 1.00 0.00 C ATOM 1180 O GLY A 79 8.887 -4.617 -10.929 1.00 0.00 O ATOM 0 H GLY A 79 6.757 -1.837 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.282 -3.286 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.938 -2.927 -12.537 1.00 0.00 H new ATOM 1184 N GLU A 80 6.876 -4.642 -9.920 1.00 0.00 N ATOM 1185 CA GLU A 80 7.222 -5.731 -9.014 1.00 0.00 C ATOM 1186 C GLU A 80 5.968 -6.355 -8.409 1.00 0.00 C ATOM 1187 O GLU A 80 4.887 -5.769 -8.456 1.00 0.00 O ATOM 1188 CB GLU A 80 8.141 -5.226 -7.901 1.00 0.00 C ATOM 1189 CG GLU A 80 8.953 -6.325 -7.235 1.00 0.00 C ATOM 1190 CD GLU A 80 10.184 -5.793 -6.527 1.00 0.00 C ATOM 1191 OE1 GLU A 80 11.206 -5.565 -7.206 1.00 0.00 O ATOM 1192 OE2 GLU A 80 10.124 -5.606 -5.294 1.00 0.00 O ATOM 0 H GLU A 80 5.927 -4.285 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 80 7.746 -6.495 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.822 -4.482 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.539 -4.722 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.324 -6.852 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.257 -7.053 -7.987 1.00 0.00 H new ATOM 1199 N GLN A 81 6.121 -7.548 -7.843 1.00 0.00 N ATOM 1200 CA GLN A 81 5.001 -8.252 -7.230 1.00 0.00 C ATOM 1201 C GLN A 81 5.467 -9.082 -6.038 1.00 0.00 C ATOM 1202 O GLN A 81 6.615 -9.523 -5.987 1.00 0.00 O ATOM 1203 CB GLN A 81 4.314 -9.153 -8.257 1.00 0.00 C ATOM 1204 CG GLN A 81 3.086 -9.866 -7.716 1.00 0.00 C ATOM 1205 CD GLN A 81 2.577 -10.945 -8.652 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.744 -10.686 -9.521 1.00 0.00 O ATOM 1207 NE2 GLN A 81 3.077 -12.163 -8.479 1.00 0.00 N ATOM 0 H GLN A 81 7.009 -8.047 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 81 4.287 -7.509 -6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.025 -8.552 -9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.028 -9.896 -8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.325 -10.311 -6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.294 -9.137 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.766 -12.332 -7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.772 -12.929 -9.079 1.00 0.00 H new ATOM 1216 N TYR A 82 4.568 -9.291 -5.082 1.00 0.00 N ATOM 1217 CA TYR A 82 4.888 -10.066 -3.889 1.00 0.00 C ATOM 1218 C TYR A 82 3.951 -11.263 -3.750 1.00 0.00 C ATOM 1219 O TYR A 82 2.729 -11.114 -3.761 1.00 0.00 O ATOM 1220 CB TYR A 82 4.796 -9.185 -2.643 1.00 0.00 C ATOM 1221 CG TYR A 82 6.098 -8.504 -2.286 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.849 -7.847 -3.253 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.578 -8.518 -0.982 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.040 -7.225 -2.931 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.766 -7.897 -0.651 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.494 -7.252 -1.629 1.00 0.00 C ATOM 1227 OH TYR A 82 9.679 -6.633 -1.304 1.00 0.00 O ATOM 0 H TYR A 82 3.613 -8.935 -5.110 1.00 0.00 H new ATOM 0 HA TYR A 82 5.908 -10.436 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.030 -8.426 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.472 -9.795 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.496 -7.822 -4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.012 -9.024 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.613 -6.720 -3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.123 -7.916 0.368 1.00 0.00 H new ATOM 0 HH TYR A 82 9.854 -6.744 -0.346 1.00 0.00 H new ATOM 1237 N LYS A 83 4.534 -12.449 -3.618 1.00 0.00 N ATOM 1238 CA LYS A 83 3.754 -13.673 -3.474 1.00 0.00 C ATOM 1239 C LYS A 83 3.524 -14.002 -2.002 1.00 0.00 C ATOM 1240 O LYS A 83 4.405 -14.540 -1.331 1.00 0.00 O ATOM 1241 CB LYS A 83 4.466 -14.840 -4.163 1.00 0.00 C ATOM 1242 CG LYS A 83 3.519 -15.899 -4.699 1.00 0.00 C ATOM 1243 CD LYS A 83 4.176 -16.738 -5.782 1.00 0.00 C ATOM 1244 CE LYS A 83 3.947 -16.144 -7.163 1.00 0.00 C ATOM 1245 NZ LYS A 83 5.011 -16.547 -8.124 1.00 0.00 N ATOM 0 H LYS A 83 5.544 -12.589 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 83 2.786 -13.515 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.068 -14.453 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.153 -15.304 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.195 -16.545 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.626 -15.420 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.246 -16.810 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.777 -17.752 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.976 -16.466 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.916 -15.057 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.819 -16.122 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.935 -16.218 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.024 -17.583 -8.213 1.00 0.00 H new ATOM 1259 N LEU A 84 2.335 -13.675 -1.507 1.00 0.00 N ATOM 1260 CA LEU A 84 1.988 -13.937 -0.115 1.00 0.00 C ATOM 1261 C LEU A 84 0.736 -14.804 -0.019 1.00 0.00 C ATOM 1262 O LEU A 84 -0.161 -14.710 -0.856 1.00 0.00 O ATOM 1263 CB LEU A 84 1.770 -12.621 0.633 1.00 0.00 C ATOM 1264 CG LEU A 84 2.830 -11.541 0.415 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.422 -10.246 1.101 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.184 -12.012 0.924 1.00 0.00 C ATOM 0 H LEU A 84 1.595 -13.228 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 84 2.816 -14.476 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.802 -12.216 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.715 -12.838 1.700 1.00 0.00 H new ATOM 0 HG LEU A 84 2.912 -11.351 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.189 -9.489 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.474 -9.899 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.310 -10.421 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.926 -11.231 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.116 -12.231 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.481 -12.913 0.387 1.00 0.00 H new ATOM 1278 N ARG A 85 0.683 -15.645 1.008 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.459 -16.528 1.214 1.00 0.00 C ATOM 1280 C ARG A 85 -1.041 -16.347 2.613 1.00 0.00 C ATOM 1281 O ARG A 85 -0.369 -16.597 3.613 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.048 -17.986 1.006 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.204 -18.967 1.117 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.918 -20.254 0.359 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.889 -21.299 0.669 1.00 0.00 N ATOM 1286 CZ ARG A 85 -1.961 -21.909 1.847 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -1.124 -21.578 2.821 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.873 -22.851 2.053 1.00 0.00 N ATOM 0 H ARG A 85 1.417 -15.734 1.710 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.225 -16.266 0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.411 -18.088 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.712 -18.249 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.389 -19.195 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.112 -18.507 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.930 -20.054 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.084 -20.605 0.606 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.548 -21.576 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.423 -20.853 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.181 -22.048 3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.519 -23.107 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.928 -23.319 2.958 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.295 -15.909 2.675 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.967 -15.696 3.950 1.00 0.00 C ATOM 1304 C ALA A 86 -3.181 -17.014 4.686 1.00 0.00 C ATOM 1305 O ALA A 86 -3.095 -18.090 4.092 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.297 -14.989 3.734 1.00 0.00 C ATOM 0 H ALA A 86 -2.865 -15.695 1.857 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.328 -15.065 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.788 -14.836 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.123 -14.024 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.934 -15.600 3.094 1.00 0.00 H new ATOM 1312 N THR A 87 -3.459 -16.925 5.983 1.00 0.00 N ATOM 1313 CA THR A 87 -3.683 -18.111 6.800 1.00 0.00 C ATOM 1314 C THR A 87 -5.084 -18.671 6.584 1.00 0.00 C ATOM 1315 O THR A 87 -5.291 -19.884 6.623 1.00 0.00 O ATOM 1316 CB THR A 87 -3.488 -17.807 8.297 1.00 0.00 C ATOM 1317 OG1 THR A 87 -3.323 -19.027 9.028 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.677 -17.036 8.851 1.00 0.00 C ATOM 0 H THR A 87 -3.534 -16.043 6.490 1.00 0.00 H new ATOM 0 HA THR A 87 -2.947 -18.853 6.489 1.00 0.00 H new ATOM 0 HB THR A 87 -2.593 -17.194 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.198 -18.824 9.979 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.517 -16.832 9.910 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.783 -16.094 8.312 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.584 -17.628 8.728 1.00 0.00 H new ATOM 1326 N ASP A 88 -6.043 -17.780 6.356 1.00 0.00 N ATOM 1327 CA ASP A 88 -7.426 -18.186 6.132 1.00 0.00 C ATOM 1328 C ASP A 88 -8.169 -17.147 5.299 1.00 0.00 C ATOM 1329 O ASP A 88 -7.827 -15.965 5.314 1.00 0.00 O ATOM 1330 CB ASP A 88 -8.141 -18.394 7.468 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.999 -19.811 7.987 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -8.108 -20.754 7.175 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -7.779 -19.977 9.205 1.00 0.00 O ATOM 0 H ASP A 88 -5.888 -16.772 6.321 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.418 -19.127 5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.738 -17.699 8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.199 -18.157 7.351 1.00 0.00 H new ATOM 1338 N ALA A 89 -9.187 -17.596 4.572 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.978 -16.705 3.733 1.00 0.00 C ATOM 1340 C ALA A 89 -10.409 -15.462 4.505 1.00 0.00 C ATOM 1341 O ALA A 89 -10.773 -14.446 3.913 1.00 0.00 O ATOM 1342 CB ALA A 89 -11.195 -17.437 3.187 1.00 0.00 C ATOM 0 H ALA A 89 -9.483 -18.572 4.547 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.355 -16.384 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.777 -16.760 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.870 -18.290 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.811 -17.786 4.015 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.364 -15.550 5.830 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.749 -14.433 6.684 1.00 0.00 C ATOM 1350 C LYS A 90 -9.617 -13.416 6.793 1.00 0.00 C ATOM 1351 O LYS A 90 -9.854 -12.209 6.790 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.130 -14.938 8.078 1.00 0.00 C ATOM 1353 CG LYS A 90 -12.343 -15.852 8.083 1.00 0.00 C ATOM 1354 CD LYS A 90 -13.639 -15.060 8.032 1.00 0.00 C ATOM 1355 CE LYS A 90 -14.828 -15.911 8.450 1.00 0.00 C ATOM 1356 NZ LYS A 90 -15.268 -16.824 7.359 1.00 0.00 N ATOM 0 H LYS A 90 -10.065 -16.384 6.336 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.612 -13.944 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.282 -15.472 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.327 -14.082 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.294 -16.527 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.329 -16.471 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.563 -14.192 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.797 -14.683 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.563 -16.498 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.656 -15.262 8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.080 -17.387 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.545 -16.264 6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.486 -17.460 7.103 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.388 -13.913 6.886 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.220 -13.046 6.994 1.00 0.00 C ATOM 1372 C GLU A 91 -6.864 -12.442 5.639 1.00 0.00 C ATOM 1373 O GLU A 91 -6.294 -11.354 5.563 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.026 -13.828 7.546 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.723 -13.046 7.522 1.00 0.00 C ATOM 1376 CD GLU A 91 -3.781 -13.449 8.640 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -4.198 -13.397 9.816 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -2.626 -13.817 8.338 1.00 0.00 O ATOM 0 H GLU A 91 -8.175 -14.911 6.889 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.463 -12.236 7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.241 -14.128 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.902 -14.743 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.229 -13.199 6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.941 -11.981 7.602 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.203 -13.157 4.571 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.918 -12.693 3.219 1.00 0.00 C ATOM 1387 C ARG A 92 -7.630 -11.374 2.934 1.00 0.00 C ATOM 1388 O ARG A 92 -7.002 -10.389 2.549 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.344 -13.747 2.195 1.00 0.00 C ATOM 1390 CG ARG A 92 -7.111 -13.325 0.753 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.748 -14.301 -0.223 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.201 -14.347 -0.082 1.00 0.00 N ATOM 1393 CZ ARG A 92 -10.016 -14.815 -1.021 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -9.523 -15.275 -2.162 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -11.327 -14.824 -0.818 1.00 0.00 N ATOM 0 H ARG A 92 -7.675 -14.060 4.616 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.843 -12.530 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.797 -14.670 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.402 -13.969 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.523 -12.328 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.040 -13.262 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.492 -14.013 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.336 -15.297 -0.060 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.612 -14.001 0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.515 -15.270 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.151 -15.634 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.710 -14.471 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.952 -15.183 -1.539 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.945 -11.365 3.127 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.743 -10.167 2.891 1.00 0.00 C ATOM 1411 C GLN A 93 -9.203 -8.986 3.690 1.00 0.00 C ATOM 1412 O GLN A 93 -9.172 -7.856 3.203 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.206 -10.422 3.259 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.396 -10.925 4.681 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.849 -10.917 5.113 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.401 -12.101 5.356 1.00 0.00 O flip ATOM 1417 NE2 GLN A 93 -13.469 -9.860 5.228 1.00 0.00 N flip ATOM 0 H GLN A 93 -9.480 -12.173 3.446 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.680 -9.923 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.771 -9.499 3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.625 -11.151 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.003 -11.939 4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.815 -10.304 5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.006 -8.973 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.446 -9.871 5.520 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.778 -9.256 4.921 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.238 -8.215 5.788 1.00 0.00 C ATOM 1428 C HIS A 94 -7.016 -7.559 5.154 1.00 0.00 C ATOM 1429 O HIS A 94 -6.969 -6.339 4.992 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.868 -8.800 7.152 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.286 -7.794 8.096 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -8.051 -6.875 8.783 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -6.004 -7.566 8.468 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.265 -6.125 9.535 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.018 -6.524 9.363 1.00 0.00 N ATOM 0 H HIS A 94 -8.797 -10.186 5.340 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.007 -7.454 5.923 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.758 -9.238 7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.152 -9.609 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.132 -8.104 8.125 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.588 -5.322 10.181 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.199 -6.124 9.820 1.00 0.00 H new ATOM 1444 N TRP A 95 -6.030 -8.374 4.798 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.807 -7.872 4.182 1.00 0.00 C ATOM 1446 C TRP A 95 -5.106 -7.205 2.845 1.00 0.00 C ATOM 1447 O TRP A 95 -4.781 -6.035 2.637 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.806 -9.012 3.986 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.902 -9.218 5.163 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.878 -10.298 5.999 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.892 -8.320 5.636 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.915 -10.125 6.963 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.295 -8.920 6.762 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.432 -7.068 5.217 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.264 -8.309 7.472 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.410 -6.464 5.922 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.166 -7.084 7.039 1.00 0.00 C ATOM 0 H TRP A 95 -6.053 -9.386 4.925 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.372 -7.127 4.849 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.351 -9.935 3.790 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.200 -8.806 3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.522 -11.161 5.914 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.697 -10.787 7.708 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.868 -6.582 4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.180 -8.785 8.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.048 -5.496 5.607 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.965 -6.586 7.568 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.726 -7.954 1.939 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.070 -7.434 0.621 1.00 0.00 C ATOM 1470 C VAL A 96 -6.706 -6.052 0.725 1.00 0.00 C ATOM 1471 O VAL A 96 -6.322 -5.126 0.010 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.036 -8.377 -0.120 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.534 -7.730 -1.404 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.361 -9.709 -0.412 1.00 0.00 C ATOM 0 H VAL A 96 -6.001 -8.924 2.094 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.140 -7.362 0.056 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.897 -8.565 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.215 -8.411 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.057 -6.804 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.686 -7.511 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.058 -10.363 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.482 -9.543 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.059 -10.177 0.525 1.00 0.00 H new ATOM 1484 N SER A 97 -7.680 -5.920 1.620 1.00 0.00 N ATOM 1485 CA SER A 97 -8.371 -4.651 1.815 1.00 0.00 C ATOM 1486 C SER A 97 -7.421 -3.594 2.368 1.00 0.00 C ATOM 1487 O SER A 97 -7.205 -2.552 1.748 1.00 0.00 O ATOM 1488 CB SER A 97 -9.558 -4.834 2.764 1.00 0.00 C ATOM 1489 OG SER A 97 -10.731 -5.187 2.051 1.00 0.00 O ATOM 0 H SER A 97 -8.008 -6.676 2.221 1.00 0.00 H new ATOM 0 HA SER A 97 -8.738 -4.312 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.327 -5.608 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.730 -3.912 3.319 1.00 0.00 H new ATOM 0 HG SER A 97 -11.474 -5.300 2.680 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.856 -3.870 3.539 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.930 -2.943 4.178 1.00 0.00 C ATOM 1497 C ARG A 98 -4.919 -2.403 3.170 1.00 0.00 C ATOM 1498 O ARG A 98 -4.665 -1.199 3.113 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.198 -3.633 5.330 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.067 -3.856 6.557 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.343 -2.552 7.289 1.00 0.00 C ATOM 1502 NE ARG A 98 -7.056 -2.769 8.545 1.00 0.00 N ATOM 1503 CZ ARG A 98 -8.376 -2.891 8.629 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -9.123 -2.817 7.536 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -8.952 -3.087 9.808 1.00 0.00 N ATOM 0 H ARG A 98 -7.023 -4.728 4.064 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.507 -2.106 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.819 -4.595 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.333 -3.032 5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.010 -4.313 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.573 -4.556 7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.400 -2.043 7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.930 -1.894 6.648 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.510 -2.830 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.684 -2.666 6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.136 -2.911 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.381 -3.144 10.651 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.966 -3.180 9.871 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.346 -3.301 2.377 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.362 -2.916 1.370 1.00 0.00 C ATOM 1521 C LEU A 99 -3.999 -2.045 0.292 1.00 0.00 C ATOM 1522 O LEU A 99 -3.475 -0.986 -0.052 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.739 -4.160 0.735 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.990 -5.095 1.685 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.959 -6.510 1.127 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.577 -4.585 1.931 1.00 0.00 C ATOM 0 H LEU A 99 -4.545 -4.301 2.411 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.581 -2.338 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.530 -4.729 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.049 -3.838 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.519 -5.114 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.422 -7.161 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.979 -6.875 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.454 -6.509 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.059 -5.263 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.038 -4.536 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.621 -3.591 2.375 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.132 -2.498 -0.235 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.840 -1.758 -1.273 1.00 0.00 C ATOM 1540 C GLN A 100 -6.178 -0.348 -0.802 1.00 0.00 C ATOM 1541 O GLN A 100 -6.419 0.547 -1.613 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.119 -2.496 -1.672 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.894 -3.594 -2.699 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.108 -3.832 -3.575 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.168 -3.244 -3.359 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -7.960 -4.697 -4.571 1.00 0.00 N ATOM 0 H GLN A 100 -5.579 -3.373 0.039 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.186 -1.684 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.570 -2.931 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.834 -1.777 -2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.044 -3.330 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.635 -4.519 -2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.063 -5.162 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.743 -4.897 -5.194 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.196 -0.157 0.513 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.504 1.145 1.091 1.00 0.00 C ATOM 1557 C ILE A 101 -5.240 1.980 1.270 1.00 0.00 C ATOM 1558 O ILE A 101 -5.181 3.134 0.844 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.209 1.004 2.452 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.505 0.205 2.299 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.493 2.375 3.047 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.013 -0.377 3.600 1.00 0.00 C ATOM 0 H ILE A 101 -6.001 -0.887 1.198 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.174 1.649 0.394 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.549 0.465 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.273 0.852 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.342 -0.604 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.992 2.258 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.555 2.912 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.136 2.939 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.934 -0.930 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.263 -1.050 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.209 0.429 4.307 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.232 1.389 1.901 1.00 0.00 N ATOM 1575 CA CYS A 102 -2.968 2.078 2.135 1.00 0.00 C ATOM 1576 C CYS A 102 -2.277 2.410 0.817 1.00 0.00 C ATOM 1577 O CYS A 102 -1.551 3.400 0.715 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.049 1.219 3.005 1.00 0.00 C ATOM 1579 SG CYS A 102 -0.454 1.986 3.375 1.00 0.00 S ATOM 0 H CYS A 102 -4.265 0.435 2.260 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.182 3.011 2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.559 0.995 3.942 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.875 0.268 2.502 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.197 2.901 2.489 1.00 0.00 H new ATOM 1585 N THR A 103 -2.505 1.575 -0.192 1.00 0.00 N ATOM 1586 CA THR A 103 -1.903 1.777 -1.503 1.00 0.00 C ATOM 1587 C THR A 103 -2.524 2.973 -2.216 1.00 0.00 C ATOM 1588 O THR A 103 -1.825 3.757 -2.856 1.00 0.00 O ATOM 1589 CB THR A 103 -2.057 0.528 -2.391 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.259 0.665 -3.573 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.513 0.315 -2.778 1.00 0.00 C ATOM 0 H THR A 103 -3.103 0.751 -0.125 1.00 0.00 H new ATOM 0 HA THR A 103 -0.843 1.967 -1.337 1.00 0.00 H new ATOM 0 HB THR A 103 -1.718 -0.338 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.349 0.932 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.597 -0.573 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.113 0.181 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.874 1.184 -3.329 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.842 3.106 -2.099 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.557 4.207 -2.733 1.00 0.00 C ATOM 1601 C GLN A 104 -4.477 5.470 -1.881 1.00 0.00 C ATOM 1602 O GLN A 104 -4.015 6.514 -2.342 1.00 0.00 O ATOM 1603 CB GLN A 104 -6.020 3.826 -2.965 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.734 4.730 -3.958 1.00 0.00 C ATOM 1605 CD GLN A 104 -8.239 4.718 -3.781 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.772 3.981 -2.950 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -8.934 5.537 -4.561 1.00 0.00 N ATOM 0 H GLN A 104 -4.435 2.465 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.085 4.409 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.067 2.798 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.550 3.856 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.367 5.750 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.489 4.414 -4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.451 6.130 -5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.951 5.573 -4.485 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.931 5.368 -0.636 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.910 6.502 0.281 1.00 0.00 C ATOM 1618 C HIS A 105 -3.597 7.270 0.165 1.00 0.00 C ATOM 1619 O HIS A 105 -3.528 8.455 0.494 1.00 0.00 O ATOM 1620 CB HIS A 105 -5.111 6.026 1.719 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.667 7.079 2.627 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.917 7.637 2.456 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -5.137 7.676 3.720 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -7.130 8.533 3.403 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -6.066 8.575 4.184 1.00 0.00 N ATOM 0 H HIS A 105 -5.318 4.512 -0.239 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.727 7.171 0.011 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.783 5.167 1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.156 5.683 2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.165 7.482 4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -8.023 9.130 3.519 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.952 9.177 4.999 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.557 6.587 -0.303 1.00 0.00 N ATOM 1635 CA HIS A 106 -1.245 7.206 -0.461 1.00 0.00 C ATOM 1636 C HIS A 106 -1.060 7.729 -1.882 1.00 0.00 C ATOM 1637 O HIS A 106 -0.937 8.935 -2.100 1.00 0.00 O ATOM 1638 CB HIS A 106 -0.141 6.202 -0.127 1.00 0.00 C ATOM 1639 CG HIS A 106 0.254 6.206 1.318 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.551 6.402 1.742 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.486 6.039 2.439 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.592 6.353 3.062 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.369 6.134 3.509 1.00 0.00 N ATOM 0 H HIS A 106 -2.597 5.606 -0.579 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.181 8.048 0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.476 5.202 -0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.736 6.423 -0.736 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.551 5.864 2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.476 6.472 3.672 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.103 6.049 4.490 1.00 0.00 H new ATOM 1652 N THR A 107 -1.040 6.815 -2.847 1.00 0.00 N ATOM 1653 CA THR A 107 -0.867 7.184 -4.247 1.00 0.00 C ATOM 1654 C THR A 107 -1.697 8.413 -4.597 1.00 0.00 C ATOM 1655 O THR A 107 -1.267 9.261 -5.379 1.00 0.00 O ATOM 1656 CB THR A 107 -1.261 6.028 -5.185 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.568 6.151 -6.432 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.762 6.019 -5.432 1.00 0.00 C ATOM 0 H THR A 107 -1.142 5.813 -2.685 1.00 0.00 H new ATOM 0 HA THR A 107 0.190 7.411 -4.387 1.00 0.00 H new ATOM 0 HB THR A 107 -0.982 5.090 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.475 7.099 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.016 5.194 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.286 5.896 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.061 6.961 -5.892 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.888 8.504 -4.014 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.778 9.631 -4.266 1.00 0.00 C ATOM 1668 C GLU A 108 -3.099 10.951 -3.909 1.00 0.00 C ATOM 1669 O GLU A 108 -3.074 11.885 -4.710 1.00 0.00 O ATOM 1670 CB GLU A 108 -5.072 9.478 -3.465 1.00 0.00 C ATOM 1671 CG GLU A 108 -6.257 10.207 -4.076 1.00 0.00 C ATOM 1672 CD GLU A 108 -7.281 10.628 -3.039 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -6.878 11.213 -2.012 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -8.484 10.372 -3.255 1.00 0.00 O ATOM 0 H GLU A 108 -3.259 7.811 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.017 9.641 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.313 8.418 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.909 9.851 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.901 11.089 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.736 9.561 -4.813 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.550 11.019 -2.701 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.870 12.222 -2.237 1.00 0.00 C ATOM 1683 C ALA A 109 -0.883 12.731 -3.282 1.00 0.00 C ATOM 1684 O ALA A 109 -0.749 13.938 -3.486 1.00 0.00 O ATOM 1685 CB ALA A 109 -1.157 11.951 -0.921 1.00 0.00 C ATOM 0 H ALA A 109 -2.563 10.255 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.621 12.996 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.654 12.858 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.884 11.642 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.422 11.159 -1.062 1.00 0.00 H new