USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= 0.139 K(o=-3.1,f=-4!) USER MOD Set 1.2: A 102 CYS SG : rot 86:sc= -1.48 USER MOD Set 1.3: A 106 HIS : no HD1:sc= -1.73 K(o=-3.1,f=-0.21) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= -0.898 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -11.1! C(o=-12!,f=-8.3!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.7!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 136:sc= -1.85 (180deg=-3.57) USER MOD Single : A 17 TYR OH : rot 130:sc= -0.879 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.65) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.81! K(o=-2.8!,f=-1.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.903 K(o=-0.9,f=-1.7) USER MOD Single : A 43 ASN : amide:sc= -1.04 K(o=-1,f=-6.1!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.78) 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= -0.509 X(o=-0.51,f=-0.51) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= -0.603 (180deg=-1.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc=-0.00216 K(o=-0.0022,f=-0.77) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 130:sc= 0.148 USER MOD Single : A 71 THR OG1 : rot -14:sc= 0.916 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.34) 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 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -1.3 K(o=-1.3,f=0.21) USER MOD Single : A 97 SER OG : rot 87:sc= 0.0514 USER MOD Single : A 100 GLN : amide:sc= 0.268 K(o=0.27,f=-0.82) USER MOD Single : A 103 THR OG1 : rot 7:sc= 0.647 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 105 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=-0.16) USER MOD Single : A 107 THR OG1 : rot -34:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.564 0.334 12.273 1.00 0.00 N ATOM 82 CA ASN A 9 -0.479 -0.553 11.870 1.00 0.00 C ATOM 83 C ASN A 9 -0.979 -1.985 11.708 1.00 0.00 C ATOM 84 O ASN A 9 -1.640 -2.527 12.594 1.00 0.00 O ATOM 85 CB ASN A 9 0.653 -0.509 12.899 1.00 0.00 C ATOM 86 CG ASN A 9 0.164 -0.784 14.308 1.00 0.00 C ATOM 87 OD1 ASN A 9 -0.996 -1.139 14.516 1.00 0.00 O ATOM 88 ND2 ASN A 9 1.050 -0.622 15.284 1.00 0.00 N ATOM 0 HA ASN A 9 -0.100 -0.208 10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.413 -1.243 12.631 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.131 0.470 12.868 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.779 -0.793 16.252 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.001 -0.326 15.065 1.00 0.00 H new ATOM 95 N VAL A 10 -0.657 -2.594 10.571 1.00 0.00 N ATOM 96 CA VAL A 10 -1.072 -3.964 10.293 1.00 0.00 C ATOM 97 C VAL A 10 0.135 -4.879 10.123 1.00 0.00 C ATOM 98 O VAL A 10 1.049 -4.582 9.354 1.00 0.00 O ATOM 99 CB VAL A 10 -1.944 -4.040 9.026 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.475 -5.452 8.827 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.085 -3.037 9.103 1.00 0.00 C ATOM 0 H VAL A 10 -0.110 -2.160 9.827 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.659 -4.297 11.149 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.326 -3.786 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.089 -5.486 7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.639 -6.144 8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.078 -5.739 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.691 -3.105 8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.705 -3.257 9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.678 -2.030 9.193 1.00 0.00 H new ATOM 111 N TYR A 11 0.131 -5.994 10.845 1.00 0.00 N ATOM 112 CA TYR A 11 1.227 -6.954 10.776 1.00 0.00 C ATOM 113 C TYR A 11 0.718 -8.378 10.977 1.00 0.00 C ATOM 114 O TYR A 11 -0.322 -8.596 11.597 1.00 0.00 O ATOM 115 CB TYR A 11 2.287 -6.626 11.829 1.00 0.00 C ATOM 116 CG TYR A 11 1.724 -5.980 13.074 1.00 0.00 C ATOM 117 CD1 TYR A 11 1.079 -6.738 14.043 1.00 0.00 C ATOM 118 CD2 TYR A 11 1.835 -4.610 13.282 1.00 0.00 C ATOM 119 CE1 TYR A 11 0.562 -6.152 15.182 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.323 -4.016 14.418 1.00 0.00 C ATOM 121 CZ TYR A 11 0.687 -4.791 15.366 1.00 0.00 C ATOM 122 OH TYR A 11 0.174 -4.202 16.499 1.00 0.00 O ATOM 0 H TYR A 11 -0.619 -6.256 11.485 1.00 0.00 H new ATOM 0 HA TYR A 11 1.675 -6.884 9.785 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.805 -7.543 12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.030 -5.961 11.389 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.980 -7.804 13.903 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.331 -4.000 12.542 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.062 -6.757 15.925 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.420 -2.950 14.564 1.00 0.00 H new ATOM 0 HH TYR A 11 0.348 -3.238 16.474 1.00 0.00 H new ATOM 132 N GLY A 12 1.460 -9.345 10.447 1.00 0.00 N ATOM 133 CA GLY A 12 1.070 -10.737 10.578 1.00 0.00 C ATOM 134 C GLY A 12 2.022 -11.676 9.865 1.00 0.00 C ATOM 135 O GLY A 12 2.622 -11.312 8.853 1.00 0.00 O ATOM 0 H GLY A 12 2.325 -9.189 9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.028 -11.001 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.066 -10.869 10.176 1.00 0.00 H new ATOM 139 N TYR A 13 2.162 -12.887 10.393 1.00 0.00 N ATOM 140 CA TYR A 13 3.051 -13.880 9.802 1.00 0.00 C ATOM 141 C TYR A 13 2.500 -14.382 8.471 1.00 0.00 C ATOM 142 O TYR A 13 1.548 -15.163 8.434 1.00 0.00 O ATOM 143 CB TYR A 13 3.246 -15.055 10.761 1.00 0.00 C ATOM 144 CG TYR A 13 4.414 -14.878 11.706 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.563 -13.712 12.446 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.368 -15.877 11.857 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.628 -13.545 13.310 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.436 -15.719 12.720 1.00 0.00 C ATOM 149 CZ TYR A 13 6.561 -14.552 13.444 1.00 0.00 C ATOM 150 OH TYR A 13 7.624 -14.391 14.303 1.00 0.00 O ATOM 0 H TYR A 13 1.671 -13.204 11.229 1.00 0.00 H new ATOM 0 HA TYR A 13 4.015 -13.404 9.619 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.335 -15.192 11.344 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.394 -15.966 10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.834 -12.922 12.344 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.273 -16.792 11.291 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.729 -12.631 13.877 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.169 -16.505 12.827 1.00 0.00 H new ATOM 0 HH TYR A 13 8.187 -15.193 14.281 1.00 0.00 H new ATOM 160 N LEU A 14 3.105 -13.928 7.379 1.00 0.00 N ATOM 161 CA LEU A 14 2.677 -14.330 6.044 1.00 0.00 C ATOM 162 C LEU A 14 3.712 -15.240 5.390 1.00 0.00 C ATOM 163 O LEU A 14 4.883 -15.235 5.769 1.00 0.00 O ATOM 164 CB LEU A 14 2.440 -13.097 5.169 1.00 0.00 C ATOM 165 CG LEU A 14 1.413 -12.092 5.691 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.544 -10.766 4.957 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.003 -12.646 5.548 1.00 0.00 C ATOM 0 H LEU A 14 3.894 -13.281 7.392 1.00 0.00 H new ATOM 0 HA LEU A 14 1.743 -14.884 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.391 -12.580 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.122 -13.432 4.182 1.00 0.00 H new ATOM 0 HG LEU A 14 1.608 -11.919 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.805 -10.063 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.544 -10.362 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.376 -10.922 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.714 -11.917 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.203 -12.849 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.085 -13.570 6.120 1.00 0.00 H new ATOM 179 N MET A 15 3.273 -16.017 4.406 1.00 0.00 N ATOM 180 CA MET A 15 4.163 -16.930 3.698 1.00 0.00 C ATOM 181 C MET A 15 4.606 -16.332 2.366 1.00 0.00 C ATOM 182 O MET A 15 3.801 -16.165 1.450 1.00 0.00 O ATOM 183 CB MET A 15 3.470 -18.273 3.462 1.00 0.00 C ATOM 184 CG MET A 15 3.302 -19.100 4.726 1.00 0.00 C ATOM 185 SD MET A 15 3.308 -20.874 4.401 1.00 0.00 S ATOM 186 CE MET A 15 5.009 -21.282 4.786 1.00 0.00 C ATOM 0 H MET A 15 2.306 -16.033 4.080 1.00 0.00 H new ATOM 0 HA MET A 15 5.046 -17.090 4.317 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.489 -18.094 3.022 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.046 -18.847 2.736 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.105 -18.859 5.422 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.366 -18.827 5.213 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.039 -22.198 5.376 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.566 -21.428 3.861 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.458 -20.468 5.355 1.00 0.00 H new ATOM 196 N LYS A 16 5.892 -16.012 2.265 1.00 0.00 N ATOM 197 CA LYS A 16 6.443 -15.434 1.045 1.00 0.00 C ATOM 198 C LYS A 16 7.232 -16.475 0.258 1.00 0.00 C ATOM 199 O LYS A 16 8.064 -17.191 0.816 1.00 0.00 O ATOM 200 CB LYS A 16 7.344 -14.244 1.382 1.00 0.00 C ATOM 201 CG LYS A 16 8.165 -13.749 0.204 1.00 0.00 C ATOM 202 CD LYS A 16 9.188 -12.711 0.633 1.00 0.00 C ATOM 203 CE LYS A 16 9.745 -11.950 -0.560 1.00 0.00 C ATOM 204 NZ LYS A 16 10.826 -12.710 -1.247 1.00 0.00 N ATOM 0 H LYS A 16 6.572 -16.143 3.014 1.00 0.00 H new ATOM 0 HA LYS A 16 5.613 -15.090 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.727 -13.426 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.018 -14.527 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.674 -14.591 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.502 -13.319 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.727 -12.011 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.003 -13.201 1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.941 -11.743 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.133 -10.987 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.179 -12.158 -2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.605 -12.886 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.450 -13.618 -1.587 1.00 0.00 H new ATOM 218 N TYR A 17 6.965 -16.554 -1.041 1.00 0.00 N ATOM 219 CA TYR A 17 7.650 -17.509 -1.905 1.00 0.00 C ATOM 220 C TYR A 17 9.136 -17.182 -2.008 1.00 0.00 C ATOM 221 O TYR A 17 9.517 -16.071 -2.378 1.00 0.00 O ATOM 222 CB TYR A 17 7.019 -17.511 -3.298 1.00 0.00 C ATOM 223 CG TYR A 17 7.113 -18.845 -4.004 1.00 0.00 C ATOM 224 CD1 TYR A 17 6.194 -19.855 -3.746 1.00 0.00 C ATOM 225 CD2 TYR A 17 8.120 -19.096 -4.927 1.00 0.00 C ATOM 226 CE1 TYR A 17 6.276 -21.076 -4.387 1.00 0.00 C ATOM 227 CE2 TYR A 17 8.209 -20.313 -5.574 1.00 0.00 C ATOM 228 CZ TYR A 17 7.285 -21.300 -5.301 1.00 0.00 C ATOM 229 OH TYR A 17 7.371 -22.515 -5.942 1.00 0.00 O ATOM 0 H TYR A 17 6.280 -15.969 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 17 7.545 -18.500 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.970 -17.228 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.506 -16.751 -3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.402 -19.682 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.846 -18.326 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.554 -21.851 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.998 -20.491 -6.290 1.00 0.00 H new ATOM 0 HH TYR A 17 7.455 -22.370 -6.908 1.00 0.00 H new ATOM 239 N THR A 18 9.975 -18.160 -1.677 1.00 0.00 N ATOM 240 CA THR A 18 11.420 -17.979 -1.731 1.00 0.00 C ATOM 241 C THR A 18 12.012 -18.645 -2.968 1.00 0.00 C ATOM 242 O THR A 18 12.961 -18.137 -3.563 1.00 0.00 O ATOM 243 CB THR A 18 12.105 -18.551 -0.476 1.00 0.00 C ATOM 244 OG1 THR A 18 13.495 -18.208 -0.478 1.00 0.00 O ATOM 245 CG2 THR A 18 11.951 -20.064 -0.418 1.00 0.00 C ATOM 0 H THR A 18 9.677 -19.086 -1.369 1.00 0.00 H new ATOM 0 HA THR A 18 11.602 -16.905 -1.778 1.00 0.00 H new ATOM 0 HB THR A 18 11.626 -18.119 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.923 -18.574 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.443 -20.446 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.892 -20.321 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.408 -20.510 -1.301 1.00 0.00 H new ATOM 253 N ASN A 19 11.444 -19.784 -3.350 1.00 0.00 N ATOM 254 CA ASN A 19 11.916 -20.520 -4.518 1.00 0.00 C ATOM 255 C ASN A 19 10.995 -21.695 -4.829 1.00 0.00 C ATOM 256 O ASN A 19 10.016 -21.936 -4.120 1.00 0.00 O ATOM 257 CB ASN A 19 13.342 -21.023 -4.287 1.00 0.00 C ATOM 258 CG ASN A 19 14.122 -21.164 -5.580 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.457 -20.171 -6.227 1.00 0.00 O ATOM 260 ND2 ASN A 19 14.415 -22.401 -5.962 1.00 0.00 N ATOM 0 H ASN A 19 10.656 -20.218 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 19 11.911 -19.841 -5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.865 -20.334 -3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.307 -21.987 -3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.938 -22.558 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.117 -23.194 -5.394 1.00 0.00 H new ATOM 267 N LEU A 20 11.314 -22.424 -5.893 1.00 0.00 N ATOM 268 CA LEU A 20 10.515 -23.575 -6.299 1.00 0.00 C ATOM 269 C LEU A 20 10.718 -24.744 -5.340 1.00 0.00 C ATOM 270 O LEU A 20 9.854 -25.041 -4.515 1.00 0.00 O ATOM 271 CB LEU A 20 10.883 -23.999 -7.722 1.00 0.00 C ATOM 272 CG LEU A 20 10.399 -23.078 -8.843 1.00 0.00 C ATOM 273 CD1 LEU A 20 11.445 -22.017 -9.151 1.00 0.00 C ATOM 274 CD2 LEU A 20 10.070 -23.883 -10.091 1.00 0.00 C ATOM 0 H LEU A 20 12.120 -22.239 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 20 9.465 -23.285 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.968 -24.078 -7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.480 -24.996 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 20 9.490 -22.577 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.083 -21.371 -9.951 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.631 -21.420 -8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.371 -22.499 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.727 -23.211 -10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.961 -24.412 -10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.285 -24.604 -9.862 1.00 0.00 H new ATOM 286 N VAL A 21 11.867 -25.403 -5.453 1.00 0.00 N ATOM 287 CA VAL A 21 12.185 -26.537 -4.594 1.00 0.00 C ATOM 288 C VAL A 21 11.839 -26.239 -3.140 1.00 0.00 C ATOM 289 O VAL A 21 11.274 -27.080 -2.439 1.00 0.00 O ATOM 290 CB VAL A 21 13.676 -26.912 -4.689 1.00 0.00 C ATOM 291 CG1 VAL A 21 14.542 -25.816 -4.085 1.00 0.00 C ATOM 292 CG2 VAL A 21 13.935 -28.245 -4.003 1.00 0.00 C ATOM 0 H VAL A 21 12.593 -25.171 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 21 11.584 -27.377 -4.943 1.00 0.00 H new ATOM 0 HB VAL A 21 13.941 -27.013 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.592 -26.098 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.377 -24.883 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.278 -25.680 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.993 -28.494 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.654 -28.174 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.343 -29.023 -4.485 1.00 0.00 H new ATOM 302 N THR A 22 12.180 -25.036 -2.690 1.00 0.00 N ATOM 303 CA THR A 22 11.906 -24.626 -1.319 1.00 0.00 C ATOM 304 C THR A 22 10.412 -24.427 -1.092 1.00 0.00 C ATOM 305 O THR A 22 9.871 -24.829 -0.063 1.00 0.00 O ATOM 306 CB THR A 22 12.645 -23.322 -0.963 1.00 0.00 C ATOM 307 OG1 THR A 22 13.984 -23.364 -1.471 1.00 0.00 O ATOM 308 CG2 THR A 22 12.676 -23.110 0.543 1.00 0.00 C ATOM 0 H THR A 22 12.647 -24.328 -3.256 1.00 0.00 H new ATOM 0 HA THR A 22 12.266 -25.427 -0.673 1.00 0.00 H new ATOM 0 HB THR A 22 12.108 -22.490 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.447 -22.531 -1.242 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.203 -22.183 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.656 -23.050 0.923 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.191 -23.945 1.017 1.00 0.00 H new ATOM 316 N GLY A 23 9.749 -23.805 -2.062 1.00 0.00 N ATOM 317 CA GLY A 23 8.322 -23.564 -1.950 1.00 0.00 C ATOM 318 C GLY A 23 8.003 -22.364 -1.079 1.00 0.00 C ATOM 319 O GLY A 23 8.743 -21.380 -1.072 1.00 0.00 O ATOM 0 H GLY A 23 10.175 -23.464 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.904 -23.409 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.839 -24.449 -1.536 1.00 0.00 H new ATOM 323 N TRP A 24 6.900 -22.445 -0.345 1.00 0.00 N ATOM 324 CA TRP A 24 6.484 -21.356 0.532 1.00 0.00 C ATOM 325 C TRP A 24 7.343 -21.314 1.791 1.00 0.00 C ATOM 326 O TRP A 24 7.894 -22.330 2.211 1.00 0.00 O ATOM 327 CB TRP A 24 5.010 -21.513 0.910 1.00 0.00 C ATOM 328 CG TRP A 24 4.085 -21.440 -0.267 1.00 0.00 C ATOM 329 CD1 TRP A 24 3.813 -22.437 -1.159 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.311 -20.308 -0.679 1.00 0.00 C ATOM 331 NE1 TRP A 24 2.917 -21.994 -2.101 1.00 0.00 N ATOM 332 CE2 TRP A 24 2.592 -20.692 -1.829 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.153 -19.009 -0.189 1.00 0.00 C ATOM 334 CZ2 TRP A 24 1.732 -19.822 -2.494 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.299 -18.147 -0.850 1.00 0.00 C ATOM 336 CH2 TRP A 24 1.597 -18.556 -1.991 1.00 0.00 C ATOM 0 H TRP A 24 6.277 -23.253 -0.339 1.00 0.00 H new ATOM 0 HA TRP A 24 6.615 -20.418 -0.007 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.871 -22.470 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.740 -20.735 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.240 -23.429 -1.128 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.553 -22.546 -2.878 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.689 -18.684 0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.191 -20.135 -3.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.171 -17.140 -0.480 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.936 -17.859 -2.484 1.00 0.00 H new ATOM 347 N GLN A 25 7.451 -20.131 2.389 1.00 0.00 N ATOM 348 CA GLN A 25 8.243 -19.958 3.601 1.00 0.00 C ATOM 349 C GLN A 25 7.592 -18.945 4.537 1.00 0.00 C ATOM 350 O GLN A 25 7.219 -17.849 4.118 1.00 0.00 O ATOM 351 CB GLN A 25 9.661 -19.506 3.247 1.00 0.00 C ATOM 352 CG GLN A 25 10.571 -20.642 2.810 1.00 0.00 C ATOM 353 CD GLN A 25 10.744 -21.698 3.885 1.00 0.00 C ATOM 354 OE1 GLN A 25 10.511 -21.441 5.066 1.00 0.00 O ATOM 355 NE2 GLN A 25 11.155 -22.894 3.480 1.00 0.00 N ATOM 0 H GLN A 25 7.000 -19.279 2.054 1.00 0.00 H new ATOM 0 HA GLN A 25 8.292 -20.919 4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.609 -18.766 2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.102 -19.011 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.161 -21.106 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.547 -20.238 2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.336 -23.063 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.289 -23.644 4.158 1.00 0.00 H new ATOM 364 N TYR A 26 7.459 -19.319 5.804 1.00 0.00 N ATOM 365 CA TYR A 26 6.850 -18.444 6.799 1.00 0.00 C ATOM 366 C TYR A 26 7.730 -17.227 7.066 1.00 0.00 C ATOM 367 O TYR A 26 8.927 -17.357 7.323 1.00 0.00 O ATOM 368 CB TYR A 26 6.609 -19.209 8.102 1.00 0.00 C ATOM 369 CG TYR A 26 5.312 -19.986 8.117 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.093 -19.346 7.929 1.00 0.00 C ATOM 371 CD2 TYR A 26 5.306 -21.361 8.319 1.00 0.00 C ATOM 372 CE1 TYR A 26 2.906 -20.052 7.943 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.124 -22.076 8.332 1.00 0.00 C ATOM 374 CZ TYR A 26 2.926 -21.417 8.144 1.00 0.00 C ATOM 375 OH TYR A 26 1.746 -22.124 8.157 1.00 0.00 O ATOM 0 H TYR A 26 7.765 -20.222 6.167 1.00 0.00 H new ATOM 0 HA TYR A 26 5.894 -18.099 6.406 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.437 -19.898 8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.610 -18.504 8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.073 -18.278 7.769 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.242 -21.880 8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.967 -19.538 7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.137 -23.145 8.488 1.00 0.00 H new ATOM 0 HH TYR A 26 1.935 -23.073 8.309 1.00 0.00 H new ATOM 385 N ARG A 27 7.128 -16.044 7.004 1.00 0.00 N ATOM 386 CA ARG A 27 7.855 -14.803 7.238 1.00 0.00 C ATOM 387 C ARG A 27 6.959 -13.766 7.909 1.00 0.00 C ATOM 388 O ARG A 27 5.741 -13.777 7.735 1.00 0.00 O ATOM 389 CB ARG A 27 8.397 -14.248 5.919 1.00 0.00 C ATOM 390 CG ARG A 27 9.475 -15.115 5.290 1.00 0.00 C ATOM 391 CD ARG A 27 10.853 -14.770 5.831 1.00 0.00 C ATOM 392 NE ARG A 27 11.765 -15.910 5.775 1.00 0.00 N ATOM 393 CZ ARG A 27 13.087 -15.793 5.734 1.00 0.00 C ATOM 394 NH1 ARG A 27 13.650 -14.593 5.742 1.00 0.00 N ATOM 395 NH2 ARG A 27 13.849 -16.878 5.684 1.00 0.00 N ATOM 0 H ARG A 27 6.138 -15.919 6.793 1.00 0.00 H new ATOM 0 HA ARG A 27 8.691 -15.021 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.573 -14.140 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.801 -13.251 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.259 -16.165 5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.464 -14.983 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.271 -13.943 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.762 -14.429 6.862 1.00 0.00 H new ATOM 0 HE ARG A 27 11.364 -16.848 5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.067 -13.757 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.666 -14.506 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.419 -17.803 5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.864 -16.787 5.653 1.00 0.00 H new ATOM 409 N PHE A 28 7.572 -12.871 8.677 1.00 0.00 N ATOM 410 CA PHE A 28 6.830 -11.827 9.375 1.00 0.00 C ATOM 411 C PHE A 28 6.764 -10.553 8.538 1.00 0.00 C ATOM 412 O PHE A 28 7.769 -10.109 7.983 1.00 0.00 O ATOM 413 CB PHE A 28 7.479 -11.529 10.728 1.00 0.00 C ATOM 414 CG PHE A 28 6.750 -10.487 11.527 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.366 -10.489 11.593 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.448 -9.505 12.211 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.692 -9.531 12.326 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.780 -8.544 12.946 1.00 0.00 C ATOM 419 CZ PHE A 28 5.400 -8.558 13.005 1.00 0.00 C ATOM 0 H PHE A 28 8.580 -12.848 8.832 1.00 0.00 H new ATOM 0 HA PHE A 28 5.814 -12.186 9.538 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.530 -12.450 11.308 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.505 -11.198 10.565 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.808 -11.248 11.065 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.527 -9.490 12.169 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.613 -9.543 12.368 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.336 -7.783 13.473 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.875 -7.810 13.581 1.00 0.00 H new ATOM 429 N PHE A 29 5.573 -9.970 8.452 1.00 0.00 N ATOM 430 CA PHE A 29 5.374 -8.748 7.681 1.00 0.00 C ATOM 431 C PHE A 29 4.785 -7.644 8.555 1.00 0.00 C ATOM 432 O PHE A 29 4.026 -7.912 9.486 1.00 0.00 O ATOM 433 CB PHE A 29 4.453 -9.016 6.489 1.00 0.00 C ATOM 434 CG PHE A 29 5.146 -9.679 5.333 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.420 -11.037 5.359 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.524 -8.944 4.221 1.00 0.00 C ATOM 437 CE1 PHE A 29 6.058 -11.649 4.297 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.163 -9.551 3.156 1.00 0.00 C ATOM 439 CZ PHE A 29 6.429 -10.905 3.194 1.00 0.00 C ATOM 0 H PHE A 29 4.731 -10.324 8.906 1.00 0.00 H new ATOM 0 HA PHE A 29 6.345 -8.417 7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.624 -9.645 6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.024 -8.072 6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.132 -11.624 6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.317 -7.885 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.266 -12.708 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.454 -8.967 2.295 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.926 -11.382 2.362 1.00 0.00 H new ATOM 449 N VAL A 30 5.142 -6.401 8.248 1.00 0.00 N ATOM 450 CA VAL A 30 4.650 -5.256 9.004 1.00 0.00 C ATOM 451 C VAL A 30 4.428 -4.052 8.095 1.00 0.00 C ATOM 452 O VAL A 30 5.382 -3.417 7.643 1.00 0.00 O ATOM 453 CB VAL A 30 5.627 -4.863 10.128 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.133 -3.623 10.856 1.00 0.00 C ATOM 455 CG2 VAL A 30 5.816 -6.021 11.097 1.00 0.00 C ATOM 0 H VAL A 30 5.770 -6.162 7.481 1.00 0.00 H new ATOM 0 HA VAL A 30 3.700 -5.554 9.447 1.00 0.00 H new ATOM 0 HB VAL A 30 6.594 -4.631 9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.836 -3.361 11.646 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.054 -2.795 10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.154 -3.823 11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.509 -5.727 11.885 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.856 -6.286 11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.219 -6.881 10.562 1.00 0.00 H new ATOM 465 N LEU A 31 3.164 -3.742 7.831 1.00 0.00 N ATOM 466 CA LEU A 31 2.815 -2.613 6.976 1.00 0.00 C ATOM 467 C LEU A 31 3.091 -1.289 7.682 1.00 0.00 C ATOM 468 O LEU A 31 2.919 -1.174 8.895 1.00 0.00 O ATOM 469 CB LEU A 31 1.342 -2.690 6.571 1.00 0.00 C ATOM 470 CG LEU A 31 0.780 -1.467 5.845 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.142 -1.509 4.369 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.729 -1.386 6.025 1.00 0.00 C ATOM 0 H LEU A 31 2.363 -4.257 8.197 1.00 0.00 H new ATOM 0 HA LEU A 31 3.435 -2.663 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.207 -3.561 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.748 -2.859 7.469 1.00 0.00 H new ATOM 0 HG LEU A 31 1.226 -0.573 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.734 -0.631 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.227 -1.517 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.726 -2.410 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.111 -0.510 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.193 -2.284 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.965 -1.307 7.086 1.00 0.00 H new ATOM 484 N ASN A 32 3.519 -0.292 6.914 1.00 0.00 N ATOM 485 CA ASN A 32 3.817 1.024 7.466 1.00 0.00 C ATOM 486 C ASN A 32 2.931 2.093 6.833 1.00 0.00 C ATOM 487 O ASN A 32 3.107 2.450 5.669 1.00 0.00 O ATOM 488 CB ASN A 32 5.291 1.371 7.244 1.00 0.00 C ATOM 489 CG ASN A 32 5.776 2.460 8.182 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.019 2.961 9.013 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.044 2.830 8.051 1.00 0.00 N ATOM 0 H ASN A 32 3.667 -0.371 5.908 1.00 0.00 H new ATOM 0 HA ASN A 32 3.614 0.996 8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.897 0.476 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.434 1.693 6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.428 3.558 8.654 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.635 2.386 7.348 1.00 0.00 H new ATOM 498 N ASN A 33 1.978 2.599 7.609 1.00 0.00 N ATOM 499 CA ASN A 33 1.064 3.627 7.125 1.00 0.00 C ATOM 500 C ASN A 33 1.739 4.995 7.116 1.00 0.00 C ATOM 501 O ASN A 33 1.665 5.728 6.131 1.00 0.00 O ATOM 502 CB ASN A 33 -0.193 3.672 7.997 1.00 0.00 C ATOM 503 CG ASN A 33 -1.337 4.406 7.324 1.00 0.00 C ATOM 504 OD1 ASN A 33 -1.192 4.922 6.215 1.00 0.00 O ATOM 505 ND2 ASN A 33 -2.482 4.457 7.994 1.00 0.00 N ATOM 0 H ASN A 33 1.819 2.314 8.575 1.00 0.00 H new ATOM 0 HA ASN A 33 0.781 3.375 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.506 2.655 8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.042 4.160 8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.287 4.938 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.557 4.015 8.910 1.00 0.00 H new ATOM 512 N GLU A 34 2.398 5.331 8.221 1.00 0.00 N ATOM 513 CA GLU A 34 3.086 6.611 8.340 1.00 0.00 C ATOM 514 C GLU A 34 3.970 6.869 7.123 1.00 0.00 C ATOM 515 O GLU A 34 3.876 7.917 6.485 1.00 0.00 O ATOM 516 CB GLU A 34 3.932 6.645 9.614 1.00 0.00 C ATOM 517 CG GLU A 34 4.697 7.944 9.803 1.00 0.00 C ATOM 518 CD GLU A 34 5.267 8.087 11.201 1.00 0.00 C ATOM 519 OE1 GLU A 34 6.050 7.208 11.616 1.00 0.00 O ATOM 520 OE2 GLU A 34 4.929 9.080 11.880 1.00 0.00 O ATOM 0 H GLU A 34 2.470 4.735 9.046 1.00 0.00 H new ATOM 0 HA GLU A 34 2.331 7.396 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.283 6.487 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.640 5.816 9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.509 7.992 9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.035 8.785 9.597 1.00 0.00 H new ATOM 527 N ALA A 35 4.828 5.905 6.808 1.00 0.00 N ATOM 528 CA ALA A 35 5.728 6.025 5.667 1.00 0.00 C ATOM 529 C ALA A 35 5.067 5.515 4.391 1.00 0.00 C ATOM 530 O ALA A 35 5.120 6.168 3.350 1.00 0.00 O ATOM 531 CB ALA A 35 7.021 5.269 5.933 1.00 0.00 C ATOM 0 H ALA A 35 4.919 5.032 7.327 1.00 0.00 H new ATOM 0 HA ALA A 35 5.960 7.081 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.683 5.367 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.509 5.682 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.798 4.215 6.101 1.00 0.00 H new ATOM 537 N GLY A 36 4.446 4.343 4.479 1.00 0.00 N ATOM 538 CA GLY A 36 3.785 3.765 3.323 1.00 0.00 C ATOM 539 C GLY A 36 4.640 2.726 2.626 1.00 0.00 C ATOM 540 O GLY A 36 4.601 2.599 1.401 1.00 0.00 O ATOM 0 H GLY A 36 4.389 3.783 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.846 3.308 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.534 4.557 2.618 1.00 0.00 H new ATOM 544 N LEU A 37 5.417 1.981 3.405 1.00 0.00 N ATOM 545 CA LEU A 37 6.287 0.948 2.855 1.00 0.00 C ATOM 546 C LEU A 37 6.017 -0.400 3.514 1.00 0.00 C ATOM 547 O LEU A 37 5.777 -0.476 4.720 1.00 0.00 O ATOM 548 CB LEU A 37 7.755 1.336 3.044 1.00 0.00 C ATOM 549 CG LEU A 37 8.361 2.221 1.954 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.478 3.082 2.525 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.876 1.371 0.802 1.00 0.00 C ATOM 0 H LEU A 37 5.462 2.073 4.420 1.00 0.00 H new ATOM 0 HA LEU A 37 6.075 0.859 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.854 1.852 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.346 0.422 3.112 1.00 0.00 H new ATOM 0 HG LEU A 37 7.581 2.880 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.897 3.705 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.079 3.718 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.259 2.441 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.304 2.017 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.641 0.687 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.052 0.799 0.375 1.00 0.00 H new ATOM 563 N LEU A 38 6.059 -1.462 2.717 1.00 0.00 N ATOM 564 CA LEU A 38 5.821 -2.809 3.224 1.00 0.00 C ATOM 565 C LEU A 38 7.135 -3.561 3.410 1.00 0.00 C ATOM 566 O LEU A 38 7.825 -3.873 2.439 1.00 0.00 O ATOM 567 CB LEU A 38 4.909 -3.581 2.268 1.00 0.00 C ATOM 568 CG LEU A 38 4.705 -5.062 2.586 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.567 -5.244 3.578 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.433 -5.848 1.311 1.00 0.00 C ATOM 0 H LEU A 38 6.256 -1.416 1.717 1.00 0.00 H new ATOM 0 HA LEU A 38 5.332 -2.724 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.934 -3.095 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.319 -3.499 1.261 1.00 0.00 H new ATOM 0 HG LEU A 38 5.619 -5.446 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.437 -6.305 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.801 -4.714 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.646 -4.844 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.290 -6.900 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.534 -5.462 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.280 -5.745 0.632 1.00 0.00 H new ATOM 582 N GLU A 39 7.473 -3.851 4.662 1.00 0.00 N ATOM 583 CA GLU A 39 8.704 -4.568 4.974 1.00 0.00 C ATOM 584 C GLU A 39 8.399 -5.917 5.618 1.00 0.00 C ATOM 585 O GLU A 39 7.304 -6.137 6.137 1.00 0.00 O ATOM 586 CB GLU A 39 9.585 -3.733 5.905 1.00 0.00 C ATOM 587 CG GLU A 39 9.671 -2.268 5.511 1.00 0.00 C ATOM 588 CD GLU A 39 10.606 -1.477 6.404 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.887 -1.941 7.529 1.00 0.00 O ATOM 590 OE2 GLU A 39 11.058 -0.394 5.978 1.00 0.00 O ATOM 0 H GLU A 39 6.912 -3.601 5.476 1.00 0.00 H new ATOM 0 HA GLU A 39 9.239 -4.743 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.196 -3.805 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.589 -4.157 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.011 -2.193 4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.676 -1.826 5.552 1.00 0.00 H new ATOM 597 N TYR A 40 9.375 -6.818 5.582 1.00 0.00 N ATOM 598 CA TYR A 40 9.211 -8.146 6.159 1.00 0.00 C ATOM 599 C TYR A 40 10.530 -8.658 6.732 1.00 0.00 C ATOM 600 O TYR A 40 11.544 -8.709 6.036 1.00 0.00 O ATOM 601 CB TYR A 40 8.688 -9.123 5.104 1.00 0.00 C ATOM 602 CG TYR A 40 9.740 -9.561 4.110 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.116 -8.736 3.057 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.357 -10.801 4.223 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.076 -9.133 2.146 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.319 -11.205 3.318 1.00 0.00 C ATOM 607 CZ TYR A 40 11.674 -10.368 2.281 1.00 0.00 C ATOM 608 OH TYR A 40 12.631 -10.767 1.376 1.00 0.00 O ATOM 0 H TYR A 40 10.288 -6.652 5.159 1.00 0.00 H new ATOM 0 HA TYR A 40 8.486 -8.075 6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.284 -10.003 5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.863 -8.656 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.650 -7.768 2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.080 -11.460 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.356 -8.480 1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.791 -12.171 3.422 1.00 0.00 H new ATOM 0 HH TYR A 40 12.953 -11.661 1.614 1.00 0.00 H new ATOM 618 N PHE A 41 10.507 -9.036 8.006 1.00 0.00 N ATOM 619 CA PHE A 41 11.699 -9.543 8.674 1.00 0.00 C ATOM 620 C PHE A 41 11.566 -11.035 8.965 1.00 0.00 C ATOM 621 O PHE A 41 10.468 -11.537 9.209 1.00 0.00 O ATOM 622 CB PHE A 41 11.944 -8.779 9.977 1.00 0.00 C ATOM 623 CG PHE A 41 11.828 -7.288 9.827 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.584 -6.681 9.754 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.962 -6.495 9.761 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.475 -5.310 9.616 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.858 -5.123 9.624 1.00 0.00 C ATOM 628 CZ PHE A 41 11.613 -4.530 9.552 1.00 0.00 C ATOM 0 H PHE A 41 9.676 -9.001 8.596 1.00 0.00 H new ATOM 0 HA PHE A 41 12.549 -9.394 8.008 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.230 -9.118 10.728 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.939 -9.023 10.351 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.691 -7.286 9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.938 -6.954 9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.500 -4.849 9.558 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.750 -4.516 9.573 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.529 -3.458 9.446 1.00 0.00 H new ATOM 638 N VAL A 42 12.693 -11.741 8.936 1.00 0.00 N ATOM 639 CA VAL A 42 12.703 -13.175 9.197 1.00 0.00 C ATOM 640 C VAL A 42 11.715 -13.541 10.298 1.00 0.00 C ATOM 641 O VAL A 42 10.970 -14.513 10.179 1.00 0.00 O ATOM 642 CB VAL A 42 14.108 -13.662 9.600 1.00 0.00 C ATOM 643 CG1 VAL A 42 14.093 -15.154 9.893 1.00 0.00 C ATOM 644 CG2 VAL A 42 15.118 -13.334 8.511 1.00 0.00 C ATOM 0 H VAL A 42 13.610 -11.343 8.734 1.00 0.00 H new ATOM 0 HA VAL A 42 12.407 -13.667 8.270 1.00 0.00 H new ATOM 0 HB VAL A 42 14.407 -13.141 10.510 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.094 -15.479 10.176 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.401 -15.357 10.710 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.773 -15.696 9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.105 -13.685 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.826 -13.826 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.148 -12.256 8.356 1.00 0.00 H new ATOM 654 N ASN A 43 11.714 -12.755 11.370 1.00 0.00 N ATOM 655 CA ASN A 43 10.816 -12.996 12.494 1.00 0.00 C ATOM 656 C ASN A 43 10.802 -11.804 13.445 1.00 0.00 C ATOM 657 O ASN A 43 11.782 -11.065 13.543 1.00 0.00 O ATOM 658 CB ASN A 43 11.237 -14.259 13.248 1.00 0.00 C ATOM 659 CG ASN A 43 12.729 -14.300 13.520 1.00 0.00 C ATOM 660 OD1 ASN A 43 13.325 -13.300 13.919 1.00 0.00 O ATOM 661 ND2 ASN A 43 13.338 -15.460 13.304 1.00 0.00 N ATOM 0 H ASN A 43 12.325 -11.946 11.484 1.00 0.00 H new ATOM 0 HA ASN A 43 9.810 -13.135 12.099 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.697 -14.312 14.193 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.952 -15.137 12.668 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.341 -15.548 13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.803 -16.263 12.973 1.00 0.00 H new ATOM 668 N GLU A 44 9.685 -11.623 14.142 1.00 0.00 N ATOM 669 CA GLU A 44 9.544 -10.519 15.085 1.00 0.00 C ATOM 670 C GLU A 44 10.866 -10.236 15.793 1.00 0.00 C ATOM 671 O GLU A 44 11.218 -9.082 16.033 1.00 0.00 O ATOM 672 CB GLU A 44 8.459 -10.836 16.116 1.00 0.00 C ATOM 673 CG GLU A 44 7.049 -10.574 15.615 1.00 0.00 C ATOM 674 CD GLU A 44 5.987 -11.027 16.598 1.00 0.00 C ATOM 675 OE1 GLU A 44 5.942 -10.478 17.718 1.00 0.00 O ATOM 676 OE2 GLU A 44 5.200 -11.931 16.246 1.00 0.00 O ATOM 0 H GLU A 44 8.865 -12.226 14.072 1.00 0.00 H new ATOM 0 HA GLU A 44 9.254 -9.630 14.524 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.543 -11.882 16.409 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.634 -10.239 17.011 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.928 -9.508 15.421 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.903 -11.089 14.665 1.00 0.00 H new ATOM 683 N GLN A 45 11.593 -11.299 16.123 1.00 0.00 N ATOM 684 CA GLN A 45 12.875 -11.165 16.804 1.00 0.00 C ATOM 685 C GLN A 45 13.829 -10.287 16.001 1.00 0.00 C ATOM 686 O GLN A 45 14.455 -9.376 16.543 1.00 0.00 O ATOM 687 CB GLN A 45 13.501 -12.542 17.034 1.00 0.00 C ATOM 688 CG GLN A 45 12.847 -13.327 18.159 1.00 0.00 C ATOM 689 CD GLN A 45 13.620 -14.579 18.523 1.00 0.00 C ATOM 690 OE1 GLN A 45 14.531 -14.991 17.804 1.00 0.00 O ATOM 691 NE2 GLN A 45 13.260 -15.193 19.644 1.00 0.00 N ATOM 0 H GLN A 45 11.316 -12.262 15.930 1.00 0.00 H new ATOM 0 HA GLN A 45 12.697 -10.689 17.768 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.435 -13.120 16.112 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.561 -12.418 17.257 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.760 -12.690 19.039 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.835 -13.603 17.864 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.499 -14.817 20.210 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.744 -16.041 19.939 1.00 0.00 H new ATOM 700 N SER A 46 13.936 -10.568 14.706 1.00 0.00 N ATOM 701 CA SER A 46 14.817 -9.807 13.828 1.00 0.00 C ATOM 702 C SER A 46 14.113 -8.561 13.299 1.00 0.00 C ATOM 703 O SER A 46 14.154 -8.273 12.103 1.00 0.00 O ATOM 704 CB SER A 46 15.285 -10.678 12.660 1.00 0.00 C ATOM 705 OG SER A 46 16.351 -11.525 13.051 1.00 0.00 O ATOM 0 H SER A 46 13.423 -11.318 14.242 1.00 0.00 H new ATOM 0 HA SER A 46 15.685 -9.494 14.408 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.453 -11.280 12.295 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.605 -10.043 11.834 1.00 0.00 H new ATOM 0 HG SER A 46 16.631 -12.072 12.288 1.00 0.00 H new ATOM 711 N ARG A 47 13.466 -7.827 14.199 1.00 0.00 N ATOM 712 CA ARG A 47 12.752 -6.613 13.824 1.00 0.00 C ATOM 713 C ARG A 47 13.659 -5.392 13.935 1.00 0.00 C ATOM 714 O ARG A 47 13.847 -4.656 12.968 1.00 0.00 O ATOM 715 CB ARG A 47 11.518 -6.428 14.709 1.00 0.00 C ATOM 716 CG ARG A 47 10.270 -7.102 14.163 1.00 0.00 C ATOM 717 CD ARG A 47 9.514 -6.188 13.211 1.00 0.00 C ATOM 718 NE ARG A 47 8.607 -5.289 13.920 1.00 0.00 N ATOM 719 CZ ARG A 47 8.131 -4.164 13.398 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.474 -3.802 12.170 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.310 -3.399 14.106 1.00 0.00 N ATOM 0 H ARG A 47 13.422 -8.052 15.193 1.00 0.00 H new ATOM 0 HA ARG A 47 12.435 -6.714 12.786 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.730 -6.825 15.702 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.323 -5.362 14.827 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.548 -8.019 13.644 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.619 -7.388 14.989 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.226 -5.601 12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.946 -6.792 12.503 1.00 0.00 H new ATOM 0 HE ARG A 47 8.324 -5.539 14.868 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.105 -4.388 11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.107 -2.938 11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.044 -3.675 15.051 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.945 -2.535 13.705 1.00 0.00 H new ATOM 735 N ASN A 48 14.218 -5.183 15.123 1.00 0.00 N ATOM 736 CA ASN A 48 15.105 -4.050 15.362 1.00 0.00 C ATOM 737 C ASN A 48 16.496 -4.320 14.798 1.00 0.00 C ATOM 738 O ASN A 48 17.503 -4.074 15.461 1.00 0.00 O ATOM 739 CB ASN A 48 15.198 -3.755 16.860 1.00 0.00 C ATOM 740 CG ASN A 48 14.101 -2.821 17.335 1.00 0.00 C ATOM 741 OD1 ASN A 48 12.944 -3.222 17.468 1.00 0.00 O ATOM 742 ND2 ASN A 48 14.460 -1.569 17.592 1.00 0.00 N ATOM 0 H ASN A 48 14.072 -5.783 15.935 1.00 0.00 H new ATOM 0 HA ASN A 48 14.688 -3.181 14.853 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.141 -4.691 17.416 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.169 -3.312 17.081 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.765 -0.895 17.914 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.431 -1.281 17.468 1.00 0.00 H new ATOM 749 N GLN A 49 16.543 -4.828 13.570 1.00 0.00 N ATOM 750 CA GLN A 49 17.812 -5.131 12.918 1.00 0.00 C ATOM 751 C GLN A 49 17.847 -4.560 11.504 1.00 0.00 C ATOM 752 O GLN A 49 18.557 -3.592 11.232 1.00 0.00 O ATOM 753 CB GLN A 49 18.038 -6.643 12.876 1.00 0.00 C ATOM 754 CG GLN A 49 19.503 -7.036 12.767 1.00 0.00 C ATOM 755 CD GLN A 49 20.389 -6.253 13.716 1.00 0.00 C ATOM 756 OE1 GLN A 49 21.306 -5.551 13.290 1.00 0.00 O ATOM 757 NE2 GLN A 49 20.119 -6.370 15.011 1.00 0.00 N ATOM 0 H GLN A 49 15.718 -5.038 13.008 1.00 0.00 H new ATOM 0 HA GLN A 49 18.610 -4.667 13.497 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.616 -7.090 13.776 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.494 -7.060 12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 49 19.606 -8.101 12.975 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.843 -6.877 11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 49 19.349 -6.963 15.320 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.682 -5.867 15.697 1.00 0.00 H new ATOM 766 N LYS A 50 17.076 -5.166 10.607 1.00 0.00 N ATOM 767 CA LYS A 50 17.018 -4.719 9.221 1.00 0.00 C ATOM 768 C LYS A 50 15.977 -5.511 8.437 1.00 0.00 C ATOM 769 O LYS A 50 15.919 -6.739 8.501 1.00 0.00 O ATOM 770 CB LYS A 50 18.390 -4.863 8.558 1.00 0.00 C ATOM 771 CG LYS A 50 18.628 -3.874 7.431 1.00 0.00 C ATOM 772 CD LYS A 50 18.131 -4.414 6.100 1.00 0.00 C ATOM 773 CE LYS A 50 19.199 -5.239 5.399 1.00 0.00 C ATOM 774 NZ LYS A 50 19.203 -6.653 5.866 1.00 0.00 N ATOM 0 H LYS A 50 16.482 -5.969 10.816 1.00 0.00 H new ATOM 0 HA LYS A 50 16.728 -3.668 9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.165 -4.733 9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.491 -5.876 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.121 -2.936 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.693 -3.652 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.245 -5.027 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.831 -3.585 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.030 -5.213 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.178 -4.794 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.604 -7.262 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.779 -6.732 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.229 -6.953 6.072 1.00 0.00 H new ATOM 788 N PRO A 51 15.135 -4.794 7.677 1.00 0.00 N ATOM 789 CA PRO A 51 14.082 -5.410 6.864 1.00 0.00 C ATOM 790 C PRO A 51 14.645 -6.188 5.679 1.00 0.00 C ATOM 791 O PRO A 51 15.392 -5.644 4.867 1.00 0.00 O ATOM 792 CB PRO A 51 13.263 -4.213 6.378 1.00 0.00 C ATOM 793 CG PRO A 51 14.215 -3.067 6.401 1.00 0.00 C ATOM 794 CD PRO A 51 15.147 -3.327 7.553 1.00 0.00 C ATOM 0 HA PRO A 51 13.502 -6.138 7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.872 -4.382 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.407 -4.029 7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.765 -2.997 5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.686 -2.123 6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.149 -2.949 7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.801 -2.844 8.467 1.00 0.00 H new ATOM 802 N ARG A 52 14.281 -7.463 5.587 1.00 0.00 N ATOM 803 CA ARG A 52 14.750 -8.315 4.502 1.00 0.00 C ATOM 804 C ARG A 52 14.519 -7.649 3.149 1.00 0.00 C ATOM 805 O ARG A 52 15.344 -7.756 2.243 1.00 0.00 O ATOM 806 CB ARG A 52 14.039 -9.669 4.544 1.00 0.00 C ATOM 807 CG ARG A 52 14.230 -10.417 5.853 1.00 0.00 C ATOM 808 CD ARG A 52 15.670 -10.876 6.027 1.00 0.00 C ATOM 809 NE ARG A 52 16.502 -9.846 6.643 1.00 0.00 N ATOM 810 CZ ARG A 52 17.793 -10.007 6.910 1.00 0.00 C ATOM 811 NH1 ARG A 52 18.397 -11.150 6.615 1.00 0.00 N ATOM 812 NH2 ARG A 52 18.483 -9.023 7.472 1.00 0.00 N ATOM 0 H ARG A 52 13.663 -7.928 6.251 1.00 0.00 H new ATOM 0 HA ARG A 52 15.821 -8.471 4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.973 -9.515 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.405 -10.288 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.949 -9.773 6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.566 -11.281 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.692 -11.776 6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.085 -11.144 5.055 1.00 0.00 H new ATOM 0 HE ARG A 52 16.068 -8.954 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.870 -11.908 6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.389 -11.271 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.022 -8.142 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.474 -9.148 7.677 1.00 0.00 H new ATOM 826 N GLY A 53 13.389 -6.959 3.019 1.00 0.00 N ATOM 827 CA GLY A 53 13.069 -6.287 1.774 1.00 0.00 C ATOM 828 C GLY A 53 11.872 -5.365 1.904 1.00 0.00 C ATOM 829 O GLY A 53 10.936 -5.652 2.651 1.00 0.00 O ATOM 0 H GLY A 53 12.690 -6.854 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.933 -5.711 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.868 -7.032 1.004 1.00 0.00 H new ATOM 833 N THR A 54 11.901 -4.254 1.175 1.00 0.00 N ATOM 834 CA THR A 54 10.812 -3.286 1.214 1.00 0.00 C ATOM 835 C THR A 54 10.188 -3.104 -0.165 1.00 0.00 C ATOM 836 O THR A 54 10.891 -3.065 -1.176 1.00 0.00 O ATOM 837 CB THR A 54 11.295 -1.917 1.731 1.00 0.00 C ATOM 838 OG1 THR A 54 12.199 -1.329 0.788 1.00 0.00 O ATOM 839 CG2 THR A 54 11.983 -2.060 3.080 1.00 0.00 C ATOM 0 H THR A 54 12.667 -4.002 0.550 1.00 0.00 H new ATOM 0 HA THR A 54 10.063 -3.681 1.900 1.00 0.00 H new ATOM 0 HB THR A 54 10.425 -1.271 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.500 -0.459 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.315 -1.081 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.284 -2.481 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.844 -2.721 2.981 1.00 0.00 H new ATOM 847 N LEU A 55 8.865 -2.993 -0.200 1.00 0.00 N ATOM 848 CA LEU A 55 8.145 -2.815 -1.457 1.00 0.00 C ATOM 849 C LEU A 55 7.177 -1.640 -1.367 1.00 0.00 C ATOM 850 O LEU A 55 6.260 -1.641 -0.546 1.00 0.00 O ATOM 851 CB LEU A 55 7.384 -4.092 -1.817 1.00 0.00 C ATOM 852 CG LEU A 55 6.574 -4.047 -3.113 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.439 -4.451 -4.297 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.353 -4.950 -3.010 1.00 0.00 C ATOM 0 H LEU A 55 8.269 -3.023 0.627 1.00 0.00 H new ATOM 0 HA LEU A 55 8.874 -2.602 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.100 -4.910 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.707 -4.331 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 55 6.233 -3.024 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.846 -4.413 -5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.282 -3.765 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.810 -5.465 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.788 -4.906 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.673 -5.976 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.722 -4.616 -2.187 1.00 0.00 H new ATOM 866 N GLN A 56 7.386 -0.641 -2.219 1.00 0.00 N ATOM 867 CA GLN A 56 6.530 0.539 -2.236 1.00 0.00 C ATOM 868 C GLN A 56 5.107 0.174 -2.647 1.00 0.00 C ATOM 869 O GLN A 56 4.899 -0.674 -3.516 1.00 0.00 O ATOM 870 CB GLN A 56 7.095 1.591 -3.193 1.00 0.00 C ATOM 871 CG GLN A 56 8.091 2.535 -2.539 1.00 0.00 C ATOM 872 CD GLN A 56 9.074 3.125 -3.531 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.841 3.104 -4.740 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.181 3.655 -3.024 1.00 0.00 N ATOM 0 H GLN A 56 8.140 -0.626 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 56 6.503 0.952 -1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.580 1.087 -4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.272 2.174 -3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.550 3.342 -2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.640 1.999 -1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.333 3.651 -2.015 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.879 4.067 -3.643 1.00 0.00 H new ATOM 883 N LEU A 57 4.131 0.817 -2.016 1.00 0.00 N ATOM 884 CA LEU A 57 2.727 0.560 -2.315 1.00 0.00 C ATOM 885 C LEU A 57 2.141 1.674 -3.177 1.00 0.00 C ATOM 886 O LEU A 57 1.292 1.428 -4.033 1.00 0.00 O ATOM 887 CB LEU A 57 1.925 0.426 -1.020 1.00 0.00 C ATOM 888 CG LEU A 57 2.187 -0.835 -0.195 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.621 -0.682 1.208 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.592 -2.055 -0.883 1.00 0.00 C ATOM 0 H LEU A 57 4.286 1.520 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 57 2.665 -0.375 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.134 1.294 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.864 0.460 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 57 3.265 -0.977 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.817 -1.589 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.094 0.167 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.545 -0.515 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.788 -2.943 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.516 -1.922 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.046 -2.175 -1.867 1.00 0.00 H new ATOM 902 N ALA A 58 2.601 2.898 -2.945 1.00 0.00 N ATOM 903 CA ALA A 58 2.126 4.049 -3.702 1.00 0.00 C ATOM 904 C ALA A 58 2.062 3.737 -5.193 1.00 0.00 C ATOM 905 O ALA A 58 3.080 3.742 -5.883 1.00 0.00 O ATOM 906 CB ALA A 58 3.022 5.253 -3.451 1.00 0.00 C ATOM 0 H ALA A 58 3.303 3.119 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 58 1.117 4.284 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.655 6.105 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.013 5.498 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.041 5.019 -3.761 1.00 0.00 H new ATOM 912 N GLY A 59 0.857 3.463 -5.685 1.00 0.00 N ATOM 913 CA GLY A 59 0.683 3.151 -7.091 1.00 0.00 C ATOM 914 C GLY A 59 0.812 1.668 -7.377 1.00 0.00 C ATOM 915 O GLY A 59 1.363 1.272 -8.403 1.00 0.00 O ATOM 0 H GLY A 59 -0.001 3.452 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.298 3.497 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.424 3.696 -7.675 1.00 0.00 H new ATOM 919 N ALA A 60 0.305 0.845 -6.464 1.00 0.00 N ATOM 920 CA ALA A 60 0.367 -0.602 -6.623 1.00 0.00 C ATOM 921 C ALA A 60 -1.029 -1.198 -6.774 1.00 0.00 C ATOM 922 O ALA A 60 -2.028 -0.550 -6.464 1.00 0.00 O ATOM 923 CB ALA A 60 1.087 -1.233 -5.440 1.00 0.00 C ATOM 0 H ALA A 60 -0.153 1.156 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 60 0.927 -0.819 -7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.126 -2.314 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.101 -0.838 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.550 -0.999 -4.521 1.00 0.00 H new ATOM 929 N VAL A 61 -1.090 -2.436 -7.253 1.00 0.00 N ATOM 930 CA VAL A 61 -2.364 -3.120 -7.445 1.00 0.00 C ATOM 931 C VAL A 61 -2.401 -4.438 -6.680 1.00 0.00 C ATOM 932 O VAL A 61 -1.407 -5.163 -6.625 1.00 0.00 O ATOM 933 CB VAL A 61 -2.634 -3.396 -8.936 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.722 -4.447 -9.096 1.00 0.00 C ATOM 935 CG2 VAL A 61 -3.013 -2.110 -9.655 1.00 0.00 C ATOM 0 H VAL A 61 -0.272 -2.986 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.140 -2.458 -7.060 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.720 -3.782 -9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.899 -4.629 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.406 -5.374 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.642 -4.093 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.200 -2.323 -10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.913 -1.692 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.198 -1.392 -9.570 1.00 0.00 H new ATOM 945 N ILE A 62 -3.553 -4.743 -6.092 1.00 0.00 N ATOM 946 CA ILE A 62 -3.720 -5.975 -5.332 1.00 0.00 C ATOM 947 C ILE A 62 -4.791 -6.864 -5.954 1.00 0.00 C ATOM 948 O ILE A 62 -5.963 -6.493 -6.012 1.00 0.00 O ATOM 949 CB ILE A 62 -4.095 -5.687 -3.867 1.00 0.00 C ATOM 950 CG1 ILE A 62 -2.990 -4.877 -3.184 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.345 -6.987 -3.118 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.037 -3.400 -3.507 1.00 0.00 C ATOM 0 H ILE A 62 -4.385 -4.153 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.761 -6.493 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.013 -5.099 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.069 -5.007 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.021 -5.276 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.609 -6.766 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.162 -7.529 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.443 -7.599 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.226 -2.888 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.927 -3.259 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.992 -2.987 -3.182 1.00 0.00 H new ATOM 964 N SER A 63 -4.381 -8.041 -6.416 1.00 0.00 N ATOM 965 CA SER A 63 -5.306 -8.983 -7.036 1.00 0.00 C ATOM 966 C SER A 63 -5.492 -10.218 -6.159 1.00 0.00 C ATOM 967 O SER A 63 -4.744 -11.192 -6.247 1.00 0.00 O ATOM 968 CB SER A 63 -4.796 -9.396 -8.418 1.00 0.00 C ATOM 969 OG SER A 63 -5.217 -8.478 -9.412 1.00 0.00 O ATOM 0 H SER A 63 -3.415 -8.365 -6.373 1.00 0.00 H new ATOM 0 HA SER A 63 -6.271 -8.488 -7.146 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.707 -9.450 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.162 -10.393 -8.661 1.00 0.00 H new ATOM 0 HG SER A 63 -4.877 -8.763 -10.286 1.00 0.00 H new ATOM 975 N PRO A 64 -6.514 -10.179 -5.292 1.00 0.00 N ATOM 976 CA PRO A 64 -6.824 -11.286 -4.382 1.00 0.00 C ATOM 977 C PRO A 64 -7.367 -12.506 -5.118 1.00 0.00 C ATOM 978 O PRO A 64 -8.277 -12.393 -5.940 1.00 0.00 O ATOM 979 CB PRO A 64 -7.894 -10.698 -3.459 1.00 0.00 C ATOM 980 CG PRO A 64 -8.533 -9.617 -4.261 1.00 0.00 C ATOM 981 CD PRO A 64 -7.447 -9.050 -5.133 1.00 0.00 C ATOM 0 HA PRO A 64 -5.938 -11.642 -3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.621 -11.454 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.454 -10.304 -2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.352 -10.010 -4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.955 -8.848 -3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.837 -8.713 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.964 -8.192 -4.666 1.00 0.00 H new ATOM 989 N SER A 65 -6.804 -13.672 -4.818 1.00 0.00 N ATOM 990 CA SER A 65 -7.230 -14.913 -5.454 1.00 0.00 C ATOM 991 C SER A 65 -8.739 -15.097 -5.329 1.00 0.00 C ATOM 992 O SER A 65 -9.407 -14.364 -4.599 1.00 0.00 O ATOM 993 CB SER A 65 -6.506 -16.106 -4.827 1.00 0.00 C ATOM 994 OG SER A 65 -7.235 -16.626 -3.729 1.00 0.00 O ATOM 0 H SER A 65 -6.052 -13.783 -4.138 1.00 0.00 H new ATOM 0 HA SER A 65 -6.975 -14.857 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.366 -16.885 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.513 -15.800 -4.496 1.00 0.00 H new ATOM 0 HG SER A 65 -7.330 -17.596 -3.829 1.00 0.00 H new ATOM 1000 N ASP A 66 -9.270 -16.080 -6.047 1.00 0.00 N ATOM 1001 CA ASP A 66 -10.701 -16.363 -6.017 1.00 0.00 C ATOM 1002 C ASP A 66 -10.959 -17.823 -5.658 1.00 0.00 C ATOM 1003 O ASP A 66 -11.917 -18.138 -4.954 1.00 0.00 O ATOM 1004 CB ASP A 66 -11.335 -16.037 -7.370 1.00 0.00 C ATOM 1005 CG ASP A 66 -12.602 -16.830 -7.621 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -12.499 -18.044 -7.896 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -13.698 -16.237 -7.542 1.00 0.00 O ATOM 0 H ASP A 66 -8.731 -16.695 -6.657 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.155 -15.734 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.562 -14.972 -7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.617 -16.244 -8.164 1.00 0.00 H new ATOM 1012 N GLU A 67 -10.098 -18.709 -6.148 1.00 0.00 N ATOM 1013 CA GLU A 67 -10.235 -20.135 -5.880 1.00 0.00 C ATOM 1014 C GLU A 67 -9.639 -20.493 -4.521 1.00 0.00 C ATOM 1015 O GLU A 67 -10.363 -20.812 -3.578 1.00 0.00 O ATOM 1016 CB GLU A 67 -9.552 -20.952 -6.979 1.00 0.00 C ATOM 1017 CG GLU A 67 -9.567 -22.449 -6.724 1.00 0.00 C ATOM 1018 CD GLU A 67 -8.533 -23.192 -7.548 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -7.379 -23.311 -7.085 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -8.878 -23.654 -8.655 1.00 0.00 O ATOM 0 H GLU A 67 -9.299 -18.464 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.298 -20.375 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.045 -20.749 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.519 -20.619 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.385 -22.635 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.558 -22.842 -6.951 1.00 0.00 H new ATOM 1027 N ASP A 68 -8.314 -20.439 -4.430 1.00 0.00 N ATOM 1028 CA ASP A 68 -7.620 -20.757 -3.188 1.00 0.00 C ATOM 1029 C ASP A 68 -8.262 -20.036 -2.007 1.00 0.00 C ATOM 1030 O ASP A 68 -8.902 -18.998 -2.174 1.00 0.00 O ATOM 1031 CB ASP A 68 -6.143 -20.375 -3.293 1.00 0.00 C ATOM 1032 CG ASP A 68 -5.449 -21.057 -4.456 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -5.612 -20.588 -5.601 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -4.745 -22.062 -4.220 1.00 0.00 O ATOM 0 H ASP A 68 -7.700 -20.178 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.699 -21.831 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.058 -19.294 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.636 -20.640 -2.365 1.00 0.00 H new ATOM 1039 N SER A 69 -8.087 -20.594 -0.813 1.00 0.00 N ATOM 1040 CA SER A 69 -8.653 -20.007 0.396 1.00 0.00 C ATOM 1041 C SER A 69 -7.872 -18.765 0.814 1.00 0.00 C ATOM 1042 O SER A 69 -8.397 -17.651 0.795 1.00 0.00 O ATOM 1043 CB SER A 69 -8.654 -21.030 1.533 1.00 0.00 C ATOM 1044 OG SER A 69 -9.734 -20.804 2.422 1.00 0.00 O ATOM 0 H SER A 69 -7.558 -21.452 -0.657 1.00 0.00 H new ATOM 0 HA SER A 69 -9.680 -19.713 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.723 -22.037 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.712 -20.973 2.078 1.00 0.00 H new ATOM 0 HG SER A 69 -9.713 -21.472 3.139 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.614 -18.965 1.192 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.758 -17.862 1.615 1.00 0.00 C ATOM 1052 C HIS A 70 -4.656 -17.606 0.592 1.00 0.00 C ATOM 1053 O HIS A 70 -3.689 -18.362 0.502 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.141 -18.162 2.982 1.00 0.00 C ATOM 1055 CG HIS A 70 -5.998 -19.035 3.847 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -5.492 -19.804 4.874 1.00 0.00 N ATOM 1057 CD2 HIS A 70 -7.333 -19.257 3.834 1.00 0.00 C ATOM 1058 CE1 HIS A 70 -6.480 -20.462 5.454 1.00 0.00 C ATOM 1059 NE2 HIS A 70 -7.607 -20.148 4.843 1.00 0.00 N ATOM 0 H HIS A 70 -6.164 -19.880 1.214 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.374 -16.966 1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.174 -18.645 2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.953 -17.222 3.501 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.049 -18.816 3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.382 -21.142 6.287 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.531 -20.508 5.081 1.00 0.00 H new ATOM 1068 N THR A 71 -4.809 -16.534 -0.180 1.00 0.00 N ATOM 1069 CA THR A 71 -3.829 -16.179 -1.198 1.00 0.00 C ATOM 1070 C THR A 71 -4.061 -14.764 -1.716 1.00 0.00 C ATOM 1071 O THR A 71 -5.193 -14.281 -1.743 1.00 0.00 O ATOM 1072 CB THR A 71 -3.870 -17.161 -2.384 1.00 0.00 C ATOM 1073 OG1 THR A 71 -3.516 -18.476 -1.944 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.922 -16.717 -3.488 1.00 0.00 C ATOM 0 H THR A 71 -5.603 -15.897 -0.119 1.00 0.00 H new ATOM 0 HA THR A 71 -2.849 -16.233 -0.725 1.00 0.00 H new ATOM 0 HB THR A 71 -4.885 -17.173 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.114 -18.425 -1.052 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.969 -17.426 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.213 -15.728 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.904 -16.678 -3.100 1.00 0.00 H new ATOM 1082 N PHE A 72 -2.983 -14.105 -2.126 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.070 -12.744 -2.643 1.00 0.00 C ATOM 1084 C PHE A 72 -1.717 -12.274 -3.169 1.00 0.00 C ATOM 1085 O PHE A 72 -0.668 -12.742 -2.724 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.564 -11.792 -1.552 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.608 -11.649 -0.403 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.652 -12.530 0.666 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.665 -10.634 -0.391 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.774 -12.400 1.725 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -0.784 -10.500 0.665 1.00 0.00 C ATOM 1092 CZ PHE A 72 -0.838 -11.385 1.724 1.00 0.00 C ATOM 0 H PHE A 72 -2.039 -14.491 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.782 -12.741 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.741 -10.810 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.522 -12.150 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.381 -13.327 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.618 -9.939 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.820 -13.092 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.054 -9.704 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.149 -11.283 2.550 1.00 0.00 H new ATOM 1102 N THR A 73 -1.748 -11.346 -4.120 1.00 0.00 N ATOM 1103 CA THR A 73 -0.525 -10.813 -4.708 1.00 0.00 C ATOM 1104 C THR A 73 -0.494 -9.291 -4.628 1.00 0.00 C ATOM 1105 O THR A 73 -1.530 -8.633 -4.727 1.00 0.00 O ATOM 1106 CB THR A 73 -0.378 -11.241 -6.181 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.579 -10.943 -6.900 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.075 -12.728 -6.284 1.00 0.00 C ATOM 0 H THR A 73 -2.607 -10.948 -4.500 1.00 0.00 H new ATOM 0 HA THR A 73 0.306 -11.221 -4.133 1.00 0.00 H new ATOM 0 HB THR A 73 0.453 -10.686 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.477 -11.217 -7.835 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.025 -13.007 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.856 -12.947 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.888 -13.297 -5.833 1.00 0.00 H new ATOM 1116 N VAL A 74 0.701 -8.737 -4.448 1.00 0.00 N ATOM 1117 CA VAL A 74 0.867 -7.292 -4.356 1.00 0.00 C ATOM 1118 C VAL A 74 1.755 -6.768 -5.480 1.00 0.00 C ATOM 1119 O VAL A 74 2.976 -6.918 -5.440 1.00 0.00 O ATOM 1120 CB VAL A 74 1.476 -6.882 -3.002 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.832 -5.403 -3.003 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.516 -7.207 -1.867 1.00 0.00 C ATOM 0 H VAL A 74 1.568 -9.267 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.126 -6.853 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 74 2.392 -7.452 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.261 -5.131 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.558 -5.204 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.933 -4.812 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.962 -6.911 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.418 -6.665 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.316 -8.278 -1.855 1.00 0.00 H new ATOM 1132 N ASN A 75 1.133 -6.153 -6.480 1.00 0.00 N ATOM 1133 CA ASN A 75 1.868 -5.606 -7.616 1.00 0.00 C ATOM 1134 C ASN A 75 2.472 -4.249 -7.270 1.00 0.00 C ATOM 1135 O ASN A 75 2.296 -3.744 -6.162 1.00 0.00 O ATOM 1136 CB ASN A 75 0.945 -5.472 -8.829 1.00 0.00 C ATOM 1137 CG ASN A 75 0.803 -6.774 -9.594 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.670 -7.138 -10.388 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.295 -7.482 -9.357 1.00 0.00 N ATOM 0 H ASN A 75 0.123 -6.021 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 75 2.679 -6.293 -7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.039 -5.139 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.335 -4.703 -9.496 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.446 -8.367 -9.842 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.987 -7.141 -8.690 1.00 0.00 H new ATOM 1146 N ALA A 76 3.186 -3.664 -8.227 1.00 0.00 N ATOM 1147 CA ALA A 76 3.814 -2.365 -8.025 1.00 0.00 C ATOM 1148 C ALA A 76 3.938 -1.605 -9.341 1.00 0.00 C ATOM 1149 O ALA A 76 4.327 -2.172 -10.362 1.00 0.00 O ATOM 1150 CB ALA A 76 5.182 -2.535 -7.381 1.00 0.00 C ATOM 0 H ALA A 76 3.343 -4.070 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 76 3.180 -1.782 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.640 -1.557 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.071 -3.030 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.816 -3.140 -8.029 1.00 0.00 H new ATOM 1156 N ALA A 77 3.605 -0.319 -9.310 1.00 0.00 N ATOM 1157 CA ALA A 77 3.680 0.519 -10.501 1.00 0.00 C ATOM 1158 C ALA A 77 4.880 0.141 -11.363 1.00 0.00 C ATOM 1159 O ALA A 77 4.731 -0.192 -12.539 1.00 0.00 O ATOM 1160 CB ALA A 77 3.751 1.988 -10.109 1.00 0.00 C ATOM 0 H ALA A 77 3.281 0.166 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 77 2.777 0.354 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.807 2.602 -11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.860 2.256 -9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.637 2.159 -9.497 1.00 0.00 H new ATOM 1166 N SER A 78 6.069 0.195 -10.771 1.00 0.00 N ATOM 1167 CA SER A 78 7.295 -0.137 -11.487 1.00 0.00 C ATOM 1168 C SER A 78 7.117 -1.413 -12.305 1.00 0.00 C ATOM 1169 O SER A 78 7.325 -1.420 -13.518 1.00 0.00 O ATOM 1170 CB SER A 78 8.455 -0.306 -10.504 1.00 0.00 C ATOM 1171 OG SER A 78 8.718 0.903 -9.814 1.00 0.00 O ATOM 0 H SER A 78 6.209 0.465 -9.798 1.00 0.00 H new ATOM 0 HA SER A 78 7.522 0.683 -12.168 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.218 -1.093 -9.788 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.348 -0.623 -11.042 1.00 0.00 H new ATOM 0 HG SER A 78 9.462 0.769 -9.191 1.00 0.00 H new ATOM 1177 N GLY A 79 6.731 -2.492 -11.632 1.00 0.00 N ATOM 1178 CA GLY A 79 6.532 -3.759 -12.311 1.00 0.00 C ATOM 1179 C GLY A 79 7.031 -4.937 -11.498 1.00 0.00 C ATOM 1180 O GLY A 79 7.870 -5.708 -11.963 1.00 0.00 O ATOM 0 H GLY A 79 6.552 -2.512 -10.628 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.471 -3.891 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.049 -3.739 -13.270 1.00 0.00 H new ATOM 1184 N GLU A 80 6.516 -5.076 -10.281 1.00 0.00 N ATOM 1185 CA GLU A 80 6.918 -6.167 -9.402 1.00 0.00 C ATOM 1186 C GLU A 80 5.722 -6.706 -8.622 1.00 0.00 C ATOM 1187 O GLU A 80 4.855 -5.946 -8.193 1.00 0.00 O ATOM 1188 CB GLU A 80 8.003 -5.697 -8.431 1.00 0.00 C ATOM 1189 CG GLU A 80 8.411 -6.752 -7.416 1.00 0.00 C ATOM 1190 CD GLU A 80 9.540 -7.633 -7.912 1.00 0.00 C ATOM 1191 OE1 GLU A 80 9.303 -8.437 -8.838 1.00 0.00 O ATOM 1192 OE2 GLU A 80 10.662 -7.520 -7.374 1.00 0.00 O ATOM 0 H GLU A 80 5.820 -4.447 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 80 7.318 -6.969 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.882 -5.394 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.646 -4.814 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.717 -6.262 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.548 -7.374 -7.177 1.00 0.00 H new ATOM 1199 N GLN A 81 5.684 -8.023 -8.444 1.00 0.00 N ATOM 1200 CA GLN A 81 4.594 -8.664 -7.717 1.00 0.00 C ATOM 1201 C GLN A 81 5.128 -9.480 -6.545 1.00 0.00 C ATOM 1202 O GLN A 81 6.211 -10.060 -6.621 1.00 0.00 O ATOM 1203 CB GLN A 81 3.787 -9.563 -8.655 1.00 0.00 C ATOM 1204 CG GLN A 81 2.556 -10.172 -8.004 1.00 0.00 C ATOM 1205 CD GLN A 81 2.124 -11.465 -8.667 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.019 -11.563 -9.201 1.00 0.00 O ATOM 1207 NE2 GLN A 81 2.995 -12.466 -8.636 1.00 0.00 N ATOM 0 H GLN A 81 6.395 -8.666 -8.793 1.00 0.00 H new ATOM 0 HA GLN A 81 3.943 -7.883 -7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.478 -8.983 -9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.430 -10.365 -9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.762 -10.360 -6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.736 -9.455 -8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.900 -12.341 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.759 -13.361 -9.066 1.00 0.00 H new ATOM 1216 N TYR A 82 4.361 -9.520 -5.461 1.00 0.00 N ATOM 1217 CA TYR A 82 4.758 -10.263 -4.271 1.00 0.00 C ATOM 1218 C TYR A 82 3.772 -11.391 -3.979 1.00 0.00 C ATOM 1219 O TYR A 82 2.572 -11.160 -3.830 1.00 0.00 O ATOM 1220 CB TYR A 82 4.849 -9.326 -3.066 1.00 0.00 C ATOM 1221 CG TYR A 82 6.210 -8.690 -2.895 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.935 -8.247 -3.995 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.773 -8.533 -1.634 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.179 -7.666 -3.844 1.00 0.00 C ATOM 1225 CE2 TYR A 82 8.016 -7.952 -1.473 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.715 -7.521 -2.581 1.00 0.00 C ATOM 1227 OH TYR A 82 9.954 -6.943 -2.425 1.00 0.00 O ATOM 0 H TYR A 82 3.461 -9.047 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 82 5.739 -10.701 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.101 -8.540 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.602 -9.884 -2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.518 -8.359 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.229 -8.871 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.729 -7.327 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.438 -7.836 -0.486 1.00 0.00 H new ATOM 0 HH TYR A 82 10.184 -6.915 -1.473 1.00 0.00 H new ATOM 1237 N LYS A 83 4.289 -12.612 -3.897 1.00 0.00 N ATOM 1238 CA LYS A 83 3.457 -13.778 -3.621 1.00 0.00 C ATOM 1239 C LYS A 83 3.388 -14.054 -2.122 1.00 0.00 C ATOM 1240 O LYS A 83 4.278 -14.691 -1.556 1.00 0.00 O ATOM 1241 CB LYS A 83 4.006 -15.006 -4.351 1.00 0.00 C ATOM 1242 CG LYS A 83 3.141 -16.244 -4.192 1.00 0.00 C ATOM 1243 CD LYS A 83 3.279 -17.177 -5.384 1.00 0.00 C ATOM 1244 CE LYS A 83 2.262 -16.850 -6.468 1.00 0.00 C ATOM 1245 NZ LYS A 83 0.917 -17.404 -6.152 1.00 0.00 N ATOM 0 H LYS A 83 5.280 -12.820 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 83 2.450 -13.568 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.103 -14.775 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.007 -15.222 -3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.423 -16.772 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.098 -15.948 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.286 -17.100 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.146 -18.208 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.191 -15.769 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.605 -17.252 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.253 -17.160 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.979 -18.439 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.578 -17.001 -5.255 1.00 0.00 H new ATOM 1259 N LEU A 84 2.327 -13.573 -1.485 1.00 0.00 N ATOM 1260 CA LEU A 84 2.140 -13.769 -0.051 1.00 0.00 C ATOM 1261 C LEU A 84 0.856 -14.542 0.230 1.00 0.00 C ATOM 1262 O LEU A 84 0.046 -14.768 -0.669 1.00 0.00 O ATOM 1263 CB LEU A 84 2.105 -12.419 0.668 1.00 0.00 C ATOM 1264 CG LEU A 84 3.243 -11.453 0.339 1.00 0.00 C ATOM 1265 CD1 LEU A 84 3.071 -10.147 1.098 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.589 -12.086 0.662 1.00 0.00 C ATOM 0 H LEU A 84 1.582 -13.044 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 84 2.982 -14.351 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.160 -11.929 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.110 -12.602 1.742 1.00 0.00 H new ATOM 0 HG LEU A 84 3.212 -11.235 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.890 -9.472 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.124 -9.686 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.075 -10.346 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.388 -11.385 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.630 -12.333 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.715 -12.995 0.073 1.00 0.00 H new ATOM 1278 N ARG A 85 0.676 -14.943 1.484 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.511 -15.690 1.884 1.00 0.00 C ATOM 1280 C ARG A 85 -0.942 -15.309 3.297 1.00 0.00 C ATOM 1281 O ARG A 85 -0.107 -15.094 4.175 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.242 -17.194 1.810 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.248 -18.032 2.581 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.848 -19.499 2.610 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.812 -20.316 3.340 1.00 0.00 N ATOM 1286 CZ ARG A 85 -1.648 -21.613 3.576 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -0.562 -22.237 3.140 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.571 -22.288 4.248 1.00 0.00 N ATOM 0 H ARG A 85 1.336 -14.763 2.240 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.318 -15.438 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.248 -17.504 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.757 -17.395 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.330 -17.656 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.233 -17.932 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.758 -19.870 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.134 -19.598 3.072 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.659 -19.866 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.149 -21.721 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.438 -23.233 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.408 -21.811 4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.444 -23.284 4.429 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.252 -15.227 3.509 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.794 -14.873 4.814 1.00 0.00 C ATOM 1304 C ALA A 86 -2.922 -16.103 5.707 1.00 0.00 C ATOM 1305 O ALA A 86 -2.811 -17.237 5.240 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.144 -14.189 4.658 1.00 0.00 C ATOM 0 H ALA A 86 -2.957 -15.401 2.793 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.101 -14.180 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.537 -13.930 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.026 -13.282 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.838 -14.864 4.156 1.00 0.00 H new ATOM 1312 N THR A 87 -3.157 -15.872 6.995 1.00 0.00 N ATOM 1313 CA THR A 87 -3.299 -16.960 7.953 1.00 0.00 C ATOM 1314 C THR A 87 -4.599 -17.724 7.730 1.00 0.00 C ATOM 1315 O THR A 87 -4.626 -18.954 7.791 1.00 0.00 O ATOM 1316 CB THR A 87 -3.265 -16.441 9.403 1.00 0.00 C ATOM 1317 OG1 THR A 87 -3.355 -17.538 10.319 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.406 -15.467 9.656 1.00 0.00 C ATOM 0 H THR A 87 -3.253 -14.940 7.398 1.00 0.00 H new ATOM 0 HA THR A 87 -2.455 -17.631 7.795 1.00 0.00 H new ATOM 0 HB THR A 87 -2.321 -15.918 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.331 -17.199 11.238 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.361 -15.114 10.686 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.317 -14.619 8.978 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.358 -15.970 9.486 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.674 -16.989 7.469 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.978 -17.598 7.234 1.00 0.00 C ATOM 1328 C ASP A 88 -7.713 -16.888 6.101 1.00 0.00 C ATOM 1329 O ASP A 88 -7.451 -15.721 5.814 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.821 -17.557 8.510 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.588 -18.765 9.396 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -7.707 -19.902 8.893 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -7.286 -18.574 10.592 1.00 0.00 O ATOM 0 H ASP A 88 -5.668 -15.970 7.415 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.820 -18.637 6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.587 -16.650 9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.877 -17.504 8.243 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.633 -17.602 5.461 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.406 -17.040 4.360 1.00 0.00 C ATOM 1340 C ALA A 89 -9.987 -15.681 4.735 1.00 0.00 C ATOM 1341 O ALA A 89 -10.109 -14.792 3.892 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.517 -17.997 3.954 1.00 0.00 C ATOM 0 H ALA A 89 -8.861 -18.570 5.686 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.735 -16.898 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.087 -17.565 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.083 -18.945 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.179 -18.167 4.803 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.345 -15.526 6.005 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.913 -14.274 6.493 1.00 0.00 C ATOM 1350 C LYS A 90 -9.850 -13.182 6.556 1.00 0.00 C ATOM 1351 O LYS A 90 -10.114 -12.027 6.225 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.533 -14.477 7.877 1.00 0.00 C ATOM 1353 CG LYS A 90 -12.013 -13.189 8.523 1.00 0.00 C ATOM 1354 CD LYS A 90 -10.880 -12.465 9.232 1.00 0.00 C ATOM 1355 CE LYS A 90 -11.408 -11.471 10.255 1.00 0.00 C ATOM 1356 NZ LYS A 90 -10.390 -10.442 10.605 1.00 0.00 N ATOM 0 H LYS A 90 -10.252 -16.252 6.716 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.690 -13.960 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.373 -15.166 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.798 -14.949 8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.443 -12.537 7.762 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.806 -13.412 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.236 -13.192 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.265 -11.943 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.298 -10.982 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.711 -12.004 11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.788 -9.784 11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.550 -10.907 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.120 -9.916 9.749 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.647 -13.557 6.981 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.545 -12.608 7.086 1.00 0.00 C ATOM 1372 C GLU A 91 -7.051 -12.193 5.703 1.00 0.00 C ATOM 1373 O GLU A 91 -6.296 -11.231 5.565 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.393 -13.217 7.889 1.00 0.00 C ATOM 1375 CG GLU A 91 -5.341 -12.204 8.306 1.00 0.00 C ATOM 1376 CD GLU A 91 -5.649 -11.560 9.644 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -5.799 -12.301 10.638 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -5.741 -10.316 9.696 1.00 0.00 O ATOM 0 H GLU A 91 -8.411 -14.510 7.258 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.911 -11.721 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.796 -13.697 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.919 -13.997 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.370 -12.695 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.265 -11.429 7.543 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.484 -12.925 4.682 1.00 0.00 N ATOM 1386 CA ARG A 92 -7.085 -12.635 3.310 1.00 0.00 C ATOM 1387 C ARG A 92 -7.668 -11.303 2.845 1.00 0.00 C ATOM 1388 O ARG A 92 -6.953 -10.457 2.309 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.541 -13.757 2.375 1.00 0.00 C ATOM 1390 CG ARG A 92 -6.898 -13.703 0.999 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.688 -12.815 0.050 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.038 -13.324 -0.179 1.00 0.00 N ATOM 1393 CZ ARG A 92 -9.311 -14.351 -0.975 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -8.333 -14.977 -1.615 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -10.565 -14.755 -1.132 1.00 0.00 N ATOM 0 H ARG A 92 -8.111 -13.723 4.779 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.998 -12.567 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.312 -14.718 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.624 -13.707 2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.879 -13.327 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.832 -14.710 0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.745 -11.807 0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.161 -12.743 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.814 -12.865 0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.368 -14.670 -1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.546 -15.766 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.320 -14.277 -0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.774 -15.544 -1.744 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.968 -11.127 3.053 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.646 -9.899 2.654 1.00 0.00 C ATOM 1411 C GLN A 93 -9.116 -8.705 3.441 1.00 0.00 C ATOM 1412 O GLN A 93 -8.955 -7.612 2.896 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.155 -10.033 2.863 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.541 -10.423 4.281 1.00 0.00 C ATOM 1415 CD GLN A 93 -13.025 -10.262 4.547 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.484 -9.189 4.940 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.784 -11.330 4.333 1.00 0.00 N ATOM 0 H GLN A 93 -9.573 -11.819 3.495 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.447 -9.731 1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.633 -9.086 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.544 -10.780 2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.254 -11.459 4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.981 -9.811 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.361 -12.199 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.790 -11.281 4.494 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.847 -8.920 4.725 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.335 -7.861 5.587 1.00 0.00 C ATOM 1428 C HIS A 94 -7.048 -7.271 5.017 1.00 0.00 C ATOM 1429 O HIS A 94 -6.938 -6.059 4.833 1.00 0.00 O ATOM 1430 CB HIS A 94 -8.083 -8.398 6.996 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.513 -7.378 7.932 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -8.280 -6.421 8.562 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -6.241 -7.170 8.347 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.506 -5.667 9.321 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -6.263 -6.102 9.209 1.00 0.00 N ATOM 0 H HIS A 94 -8.975 -9.818 5.191 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.085 -7.072 5.636 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.021 -8.772 7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.401 -9.246 6.936 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.371 -7.739 8.054 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.833 -4.837 9.929 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.452 -5.708 9.686 1.00 0.00 H new ATOM 1444 N TRP A 95 -6.079 -8.136 4.741 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.799 -7.700 4.193 1.00 0.00 C ATOM 1446 C TRP A 95 -4.985 -7.054 2.824 1.00 0.00 C ATOM 1447 O TRP A 95 -4.440 -5.984 2.553 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.837 -8.884 4.085 1.00 0.00 C ATOM 1449 CG TRP A 95 -3.002 -9.085 5.314 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -3.105 -10.105 6.217 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.940 -8.243 5.775 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -2.170 -9.948 7.211 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.442 -8.814 6.963 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.360 -7.064 5.299 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.394 -8.243 7.680 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.319 -6.500 6.012 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.156 -7.089 7.191 1.00 0.00 C ATOM 0 H TRP A 95 -6.155 -9.143 4.887 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.376 -6.958 4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.409 -9.791 3.891 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.180 -8.732 3.229 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.817 -10.915 6.158 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.039 -10.574 8.005 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.719 -6.602 4.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.028 -8.695 8.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.137 -5.589 5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.972 -6.624 7.724 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.757 -7.711 1.964 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.016 -7.199 0.624 1.00 0.00 C ATOM 1470 C VAL A 96 -6.709 -5.843 0.677 1.00 0.00 C ATOM 1471 O VAL A 96 -6.496 -4.990 -0.185 1.00 0.00 O ATOM 1472 CB VAL A 96 -6.884 -8.176 -0.192 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.435 -7.491 -1.433 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.084 -9.414 -0.567 1.00 0.00 C ATOM 0 H VAL A 96 -6.214 -8.599 2.172 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.048 -7.089 0.135 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.726 -8.489 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.046 -8.196 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.046 -6.638 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.609 -7.147 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.713 -10.093 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.221 -9.122 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.744 -9.915 0.339 1.00 0.00 H new ATOM 1484 N SER A 97 -7.541 -5.649 1.696 1.00 0.00 N ATOM 1485 CA SER A 97 -8.269 -4.397 1.861 1.00 0.00 C ATOM 1486 C SER A 97 -7.348 -3.297 2.382 1.00 0.00 C ATOM 1487 O SER A 97 -7.241 -2.227 1.783 1.00 0.00 O ATOM 1488 CB SER A 97 -9.445 -4.589 2.820 1.00 0.00 C ATOM 1489 OG SER A 97 -10.566 -5.138 2.149 1.00 0.00 O ATOM 0 H SER A 97 -7.727 -6.343 2.420 1.00 0.00 H new ATOM 0 HA SER A 97 -8.650 -4.096 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.148 -5.247 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.716 -3.631 3.264 1.00 0.00 H new ATOM 0 HG SER A 97 -10.504 -6.116 2.154 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.685 -3.570 3.500 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.774 -2.605 4.103 1.00 0.00 C ATOM 1497 C ARG A 98 -4.737 -2.129 3.090 1.00 0.00 C ATOM 1498 O ARG A 98 -4.415 -0.942 3.025 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.072 -3.221 5.315 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.006 -3.506 6.480 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.354 -2.235 7.238 1.00 0.00 C ATOM 1502 NE ARG A 98 -6.856 -2.518 8.580 1.00 0.00 N ATOM 1503 CZ ARG A 98 -7.253 -1.578 9.430 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -7.206 -0.300 9.080 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -7.698 -1.915 10.634 1.00 0.00 N ATOM 0 H ARG A 98 -6.761 -4.452 4.007 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.360 -1.746 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.590 -4.150 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.283 -2.547 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.919 -3.972 6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.537 -4.219 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.470 -1.601 7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.105 -1.675 6.681 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.904 -3.491 8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.864 -0.037 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.512 0.420 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.735 -2.897 10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.003 -1.192 11.286 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.218 -3.062 2.300 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.217 -2.739 1.289 1.00 0.00 C ATOM 1521 C LEU A 99 -3.835 -1.938 0.147 1.00 0.00 C ATOM 1522 O LEU A 99 -3.247 -0.969 -0.332 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.582 -4.020 0.743 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.753 -4.834 1.737 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.593 -6.266 1.252 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.392 -4.187 1.952 1.00 0.00 C ATOM 0 H LEU A 99 -4.474 -4.049 2.340 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.445 -2.130 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.376 -4.658 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.944 -3.755 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.280 -4.852 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.000 -6.830 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.575 -6.727 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.089 -6.269 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.184 -4.780 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.142 -4.138 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.526 -3.179 2.345 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.024 -2.349 -0.281 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.722 -1.668 -1.365 1.00 0.00 C ATOM 1540 C GLN A 100 -6.129 -0.258 -0.949 1.00 0.00 C ATOM 1541 O GLN A 100 -6.214 0.645 -1.783 1.00 0.00 O ATOM 1542 CB GLN A 100 -6.958 -2.465 -1.784 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.660 -3.564 -2.791 1.00 0.00 C ATOM 1544 CD GLN A 100 -7.916 -4.237 -3.309 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.020 -3.964 -2.838 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -7.754 -5.124 -4.285 1.00 0.00 N ATOM 0 H GLN A 100 -5.524 -3.150 0.106 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.041 -1.595 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.412 -2.909 -0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.693 -1.782 -2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.106 -3.143 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.017 -4.312 -2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.820 -5.320 -4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.563 -5.609 -4.673 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.380 -0.076 0.343 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.778 1.224 0.868 1.00 0.00 C ATOM 1557 C ILE A 101 -5.592 2.182 0.919 1.00 0.00 C ATOM 1558 O ILE A 101 -5.637 3.272 0.348 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.385 1.100 2.278 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.686 0.296 2.228 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.630 2.479 2.872 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.043 -0.358 3.544 1.00 0.00 C ATOM 0 H ILE A 101 -6.315 -0.813 1.046 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.534 1.621 0.190 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.678 0.571 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.500 0.956 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.599 -0.474 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.059 2.375 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.686 3.020 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.321 3.032 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.976 -0.911 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.248 -1.043 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.163 0.408 4.310 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.533 1.766 1.604 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.333 2.587 1.729 1.00 0.00 C ATOM 1576 C CYS A 102 -2.707 2.846 0.363 1.00 0.00 C ATOM 1577 O CYS A 102 -2.484 3.995 -0.022 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.318 1.906 2.648 1.00 0.00 C ATOM 1579 SG CYS A 102 -1.137 3.042 3.413 1.00 0.00 S ATOM 0 H CYS A 102 -4.480 0.866 2.081 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.621 3.544 2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.855 1.374 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.769 1.159 2.075 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.646 3.525 4.508 1.00 0.00 H new ATOM 1585 N THR A 103 -2.423 1.771 -0.366 1.00 0.00 N ATOM 1586 CA THR A 103 -1.820 1.882 -1.688 1.00 0.00 C ATOM 1587 C THR A 103 -2.477 2.991 -2.501 1.00 0.00 C ATOM 1588 O THR A 103 -1.817 3.672 -3.285 1.00 0.00 O ATOM 1589 CB THR A 103 -1.927 0.557 -2.467 1.00 0.00 C ATOM 1590 OG1 THR A 103 -0.956 0.527 -3.518 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.321 0.385 -3.052 1.00 0.00 C ATOM 0 H THR A 103 -2.601 0.814 -0.063 1.00 0.00 H new ATOM 0 HA THR A 103 -0.768 2.122 -1.536 1.00 0.00 H new ATOM 0 HB THR A 103 -1.737 -0.263 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.363 1.303 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.373 -0.557 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.055 0.379 -2.247 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.535 1.210 -3.732 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.780 3.167 -2.308 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.526 4.195 -3.025 1.00 0.00 C ATOM 1601 C GLN A 104 -4.585 5.488 -2.218 1.00 0.00 C ATOM 1602 O GLN A 104 -4.642 6.581 -2.781 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.943 3.707 -3.332 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.002 2.674 -4.447 1.00 0.00 C ATOM 1605 CD GLN A 104 -7.409 2.459 -4.968 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.371 2.429 -4.199 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -7.538 2.307 -6.281 1.00 0.00 N ATOM 0 H GLN A 104 -4.341 2.612 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.008 4.396 -3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.375 3.278 -2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.561 4.562 -3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.359 2.993 -5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.605 1.727 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.714 2.339 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.461 2.159 -6.689 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.571 5.355 -0.895 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.623 6.513 -0.010 1.00 0.00 C ATOM 1618 C HIS A 105 -3.334 7.325 -0.102 1.00 0.00 C ATOM 1619 O HIS A 105 -3.333 8.534 0.130 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.857 6.068 1.434 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.485 7.123 2.291 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.672 7.745 1.970 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -5.084 7.663 3.466 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.974 8.624 2.909 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -6.027 8.594 3.829 1.00 0.00 N ATOM 0 H HIS A 105 -4.524 4.457 -0.413 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.453 7.144 -0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.495 5.184 1.434 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.904 5.774 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.190 7.409 4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.847 9.259 2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.000 9.168 4.672 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.239 6.652 -0.441 1.00 0.00 N ATOM 1635 CA HIS A 106 -0.944 7.311 -0.564 1.00 0.00 C ATOM 1636 C HIS A 106 -0.722 7.813 -1.987 1.00 0.00 C ATOM 1637 O HIS A 106 -0.410 8.985 -2.204 1.00 0.00 O ATOM 1638 CB HIS A 106 0.179 6.353 -0.167 1.00 0.00 C ATOM 1639 CG HIS A 106 0.390 6.257 1.313 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.599 6.524 1.920 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.464 5.921 2.308 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.480 6.356 3.225 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.238 5.991 3.487 1.00 0.00 N ATOM 0 H HIS A 106 -2.223 5.651 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.935 8.168 0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.046 5.361 -0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.107 6.679 -0.637 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.503 5.649 2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.265 6.494 3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -0.139 5.793 4.414 1.00 0.00 H new ATOM 1652 N THR A 107 -0.883 6.917 -2.957 1.00 0.00 N ATOM 1653 CA THR A 107 -0.698 7.268 -4.359 1.00 0.00 C ATOM 1654 C THR A 107 -1.519 8.497 -4.732 1.00 0.00 C ATOM 1655 O THR A 107 -1.058 9.360 -5.478 1.00 0.00 O ATOM 1656 CB THR A 107 -1.091 6.102 -5.286 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.421 6.230 -6.545 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.596 6.070 -5.508 1.00 0.00 C ATOM 0 H THR A 107 -1.141 5.943 -2.796 1.00 0.00 H new ATOM 0 HA THR A 107 0.361 7.488 -4.492 1.00 0.00 H new ATOM 0 HB THR A 107 -0.790 5.170 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.324 7.179 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.849 5.238 -6.166 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.102 5.943 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.916 7.006 -5.967 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.738 8.570 -4.206 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.623 9.695 -4.485 1.00 0.00 C ATOM 1668 C GLU A 108 -3.106 10.970 -3.825 1.00 0.00 C ATOM 1669 O GLU A 108 -3.043 12.026 -4.454 1.00 0.00 O ATOM 1670 CB GLU A 108 -5.040 9.392 -3.993 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.842 8.523 -4.947 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.585 9.334 -5.991 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.105 10.415 -5.643 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -6.647 8.888 -7.155 1.00 0.00 O ATOM 0 H GLU A 108 -3.135 7.864 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.645 9.848 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.981 8.895 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.570 10.331 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.172 7.823 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.557 7.929 -4.378 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.738 10.864 -2.552 1.00 0.00 N ATOM 1682 CA ALA A 109 -2.225 12.007 -1.807 1.00 0.00 C ATOM 1683 C ALA A 109 -1.206 12.786 -2.631 1.00 0.00 C ATOM 1684 O ALA A 109 -1.201 14.018 -2.626 1.00 0.00 O ATOM 1685 CB ALA A 109 -1.606 11.547 -0.495 1.00 0.00 C ATOM 0 H ALA A 109 -2.786 9.998 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.061 12.672 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.227 12.411 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.361 11.041 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.786 10.860 -0.701 1.00 0.00 H new