USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 639 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 46 HIS : no HD1:sc= -0.24 X(o=-0.061,f=0.22) USER MOD Set 1.2: A 48 CYS SG : rot -0:sc= 0.179 USER MOD Set 2.1: A 14 SER OG : rot -170:sc= -1.57! USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.31! C(o=-2.3!,f=-5.5!) USER MOD Single : A 22 THR OG1 : rot 92:sc= -0.109 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.803) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -15:sc= 0.798 USER MOD Single : A 44 CYS SG : rot -120:sc= -1.51 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 8:sc= 0.205 USER MOD Single : A 55 MET CE :methyl -161:sc= -0.0687 (180deg=-0.555) USER MOD Single : A 56 SER OG : rot -14:sc= 0.924 USER MOD Single : A 58 SER OG : rot 180:sc= -0.184 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 22:sc= -2.34! USER MOD Single : A 77 THR OG1 : rot -170:sc= -0.185 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= -0.268 (180deg=-0.286) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -1.03 (180deg=-1.23) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -132:sc= 1.14 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 137:sc= 0.605 (180deg=-1.01) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.699 6.163 -1.671 1.00 0.00 N ATOM 63 CA GLN A 6 -15.469 6.925 -1.849 1.00 0.00 C ATOM 64 C GLN A 6 -14.249 6.006 -1.838 1.00 0.00 C ATOM 65 O GLN A 6 -14.123 5.141 -0.972 1.00 0.00 O ATOM 66 CB GLN A 6 -15.336 7.984 -0.752 1.00 0.00 C ATOM 67 CG GLN A 6 -16.459 9.010 -0.756 1.00 0.00 C ATOM 68 CD GLN A 6 -16.326 10.048 0.348 1.00 0.00 C ATOM 69 OE1 GLN A 6 -17.159 10.947 0.467 1.00 0.00 O ATOM 70 NE2 GLN A 6 -15.279 9.933 1.162 1.00 0.00 N ATOM 0 HA GLN A 6 -15.517 7.421 -2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.311 7.488 0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.383 8.500 -0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.477 9.516 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.414 8.495 -0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.611 9.173 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.145 10.604 1.918 1.00 0.00 H new ATOM 79 N PRO A 7 -13.328 6.184 -2.807 1.00 0.00 N ATOM 80 CA PRO A 7 -12.112 5.367 -2.904 1.00 0.00 C ATOM 81 C PRO A 7 -11.289 5.402 -1.618 1.00 0.00 C ATOM 82 O PRO A 7 -11.252 6.419 -0.924 1.00 0.00 O ATOM 83 CB PRO A 7 -11.333 6.015 -4.054 1.00 0.00 C ATOM 84 CG PRO A 7 -12.362 6.726 -4.861 1.00 0.00 C ATOM 85 CD PRO A 7 -13.400 7.194 -3.881 1.00 0.00 C ATOM 0 HA PRO A 7 -12.342 4.314 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.578 6.706 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.812 5.266 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.925 7.567 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.800 6.063 -5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.180 8.195 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.392 7.232 -4.332 1.00 0.00 H new ATOM 93 N PRO A 8 -10.613 4.288 -1.281 1.00 0.00 N ATOM 94 CA PRO A 8 -9.789 4.199 -0.069 1.00 0.00 C ATOM 95 C PRO A 8 -8.689 5.253 -0.039 1.00 0.00 C ATOM 96 O PRO A 8 -7.940 5.410 -1.003 1.00 0.00 O ATOM 97 CB PRO A 8 -9.178 2.793 -0.139 1.00 0.00 C ATOM 98 CG PRO A 8 -9.348 2.359 -1.555 1.00 0.00 C ATOM 99 CD PRO A 8 -10.595 3.032 -2.047 1.00 0.00 C ATOM 0 HA PRO A 8 -10.380 4.372 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.126 2.807 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.683 2.110 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.486 2.646 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.437 1.275 -1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.559 3.214 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.482 2.429 -1.855 1.00 0.00 H new ATOM 107 N LEU A 9 -8.599 5.973 1.074 1.00 0.00 N ATOM 108 CA LEU A 9 -7.590 7.015 1.230 1.00 0.00 C ATOM 109 C LEU A 9 -6.576 6.640 2.307 1.00 0.00 C ATOM 110 O LEU A 9 -6.933 6.446 3.469 1.00 0.00 O ATOM 111 CB LEU A 9 -8.263 8.345 1.583 1.00 0.00 C ATOM 112 CG LEU A 9 -7.312 9.513 1.851 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.462 9.808 0.623 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.098 10.746 2.270 1.00 0.00 C ATOM 0 H LEU A 9 -9.212 5.855 1.881 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.058 7.120 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.930 8.622 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.884 8.195 2.466 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.643 9.235 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.793 10.642 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.874 8.927 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.110 10.067 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.410 11.570 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.789 11.025 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.659 10.528 3.179 1.00 0.00 H new ATOM 126 N VAL A 10 -5.310 6.544 1.912 1.00 0.00 N ATOM 127 CA VAL A 10 -4.241 6.198 2.840 1.00 0.00 C ATOM 128 C VAL A 10 -3.722 7.436 3.565 1.00 0.00 C ATOM 129 O VAL A 10 -3.454 8.464 2.943 1.00 0.00 O ATOM 130 CB VAL A 10 -3.072 5.504 2.114 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.957 5.160 3.090 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.561 4.256 1.395 1.00 0.00 C ATOM 0 H VAL A 10 -5.000 6.702 0.953 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.662 5.507 3.570 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.670 6.195 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.143 4.671 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.588 6.073 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.340 4.489 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.724 3.777 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.990 3.564 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.320 4.532 0.663 1.00 0.00 H new ATOM 142 N THR A 11 -3.583 7.329 4.885 1.00 0.00 N ATOM 143 CA THR A 11 -3.099 8.437 5.704 1.00 0.00 C ATOM 144 C THR A 11 -2.385 7.927 6.952 1.00 0.00 C ATOM 145 O THR A 11 -2.648 8.392 8.063 1.00 0.00 O ATOM 146 CB THR A 11 -4.248 9.368 6.143 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.247 8.618 6.846 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.881 10.066 4.947 1.00 0.00 C ATOM 0 H THR A 11 -3.800 6.483 5.411 1.00 0.00 H new ATOM 0 HA THR A 11 -2.401 8.998 5.083 1.00 0.00 H new ATOM 0 HB THR A 11 -3.830 10.128 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.972 9.217 7.122 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.687 10.715 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.128 10.663 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.282 9.320 4.261 1.00 0.00 H new ATOM 156 N GLY A 12 -1.482 6.969 6.767 1.00 0.00 N ATOM 157 CA GLY A 12 -0.752 6.417 7.893 1.00 0.00 C ATOM 158 C GLY A 12 0.258 5.362 7.481 1.00 0.00 C ATOM 159 O GLY A 12 0.019 4.589 6.555 1.00 0.00 O ATOM 0 H GLY A 12 -1.244 6.566 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.236 7.223 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.459 5.981 8.599 1.00 0.00 H new ATOM 163 N ILE A 13 1.387 5.333 8.183 1.00 0.00 N ATOM 164 CA ILE A 13 2.447 4.370 7.905 1.00 0.00 C ATOM 165 C ILE A 13 3.349 4.206 9.124 1.00 0.00 C ATOM 166 O ILE A 13 3.793 5.194 9.711 1.00 0.00 O ATOM 167 CB ILE A 13 3.302 4.801 6.692 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.451 3.812 6.470 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.841 6.213 6.892 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.232 4.055 5.196 1.00 0.00 C ATOM 0 H ILE A 13 1.592 5.970 8.953 1.00 0.00 H new ATOM 0 HA ILE A 13 1.969 3.419 7.671 1.00 0.00 H new ATOM 0 HB ILE A 13 2.669 4.799 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.133 3.866 7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.047 2.800 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.441 6.499 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.009 6.908 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.460 6.243 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.028 3.315 5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.564 3.971 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.667 5.054 5.221 1.00 0.00 H new ATOM 182 N SER A 14 3.611 2.959 9.510 1.00 0.00 N ATOM 183 CA SER A 14 4.457 2.693 10.667 1.00 0.00 C ATOM 184 C SER A 14 5.861 3.263 10.449 1.00 0.00 C ATOM 185 O SER A 14 6.296 4.132 11.204 1.00 0.00 O ATOM 186 CB SER A 14 4.511 1.191 10.974 1.00 0.00 C ATOM 187 OG SER A 14 3.219 0.681 11.255 1.00 0.00 O ATOM 0 H SER A 14 3.253 2.126 9.043 1.00 0.00 H new ATOM 0 HA SER A 14 4.020 3.192 11.532 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.939 0.658 10.125 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.168 1.014 11.825 1.00 0.00 H new ATOM 0 HG SER A 14 3.296 -0.233 11.599 1.00 0.00 H new ATOM 193 N PRO A 15 6.600 2.807 9.410 1.00 0.00 N ATOM 194 CA PRO A 15 7.941 3.317 9.132 1.00 0.00 C ATOM 195 C PRO A 15 7.899 4.702 8.487 1.00 0.00 C ATOM 196 O PRO A 15 6.973 5.478 8.721 1.00 0.00 O ATOM 197 CB PRO A 15 8.542 2.286 8.159 1.00 0.00 C ATOM 198 CG PRO A 15 7.533 1.188 8.041 1.00 0.00 C ATOM 199 CD PRO A 15 6.211 1.785 8.429 1.00 0.00 C ATOM 0 HA PRO A 15 8.527 3.436 10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.742 2.738 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.491 1.904 8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.500 0.799 7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.789 0.353 8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.695 2.220 7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.541 1.042 8.861 1.00 0.00 H new ATOM 207 N ASN A 16 8.909 5.000 7.675 1.00 0.00 N ATOM 208 CA ASN A 16 9.002 6.286 6.989 1.00 0.00 C ATOM 209 C ASN A 16 10.176 6.302 6.011 1.00 0.00 C ATOM 210 O ASN A 16 10.191 7.080 5.057 1.00 0.00 O ATOM 211 CB ASN A 16 9.132 7.424 8.001 1.00 0.00 C ATOM 212 CG ASN A 16 10.080 7.088 9.133 1.00 0.00 C ATOM 213 OD1 ASN A 16 11.272 6.874 8.921 1.00 0.00 O ATOM 214 ND2 ASN A 16 9.544 7.034 10.347 1.00 0.00 N ATOM 0 H ASN A 16 9.680 4.363 7.475 1.00 0.00 H new ATOM 0 HA ASN A 16 8.085 6.432 6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.484 8.321 7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.149 7.655 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.127 6.807 11.152 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.549 7.219 10.474 1.00 0.00 H new ATOM 221 N GLU A 17 11.155 5.430 6.249 1.00 0.00 N ATOM 222 CA GLU A 17 12.326 5.337 5.384 1.00 0.00 C ATOM 223 C GLU A 17 13.016 3.986 5.554 1.00 0.00 C ATOM 224 O GLU A 17 13.295 3.556 6.675 1.00 0.00 O ATOM 225 CB GLU A 17 13.306 6.474 5.683 1.00 0.00 C ATOM 226 CG GLU A 17 13.802 6.496 7.119 1.00 0.00 C ATOM 227 CD GLU A 17 14.753 7.645 7.389 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.813 7.706 6.731 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.437 8.486 8.257 1.00 0.00 O ATOM 0 H GLU A 17 11.159 4.779 7.034 1.00 0.00 H new ATOM 0 HA GLU A 17 11.993 5.427 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.162 6.388 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.823 7.425 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.949 6.569 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.304 5.554 7.341 1.00 0.00 H new ATOM 236 N GLY A 18 13.277 3.316 4.436 1.00 0.00 N ATOM 237 CA GLY A 18 13.918 2.015 4.481 1.00 0.00 C ATOM 238 C GLY A 18 13.902 1.312 3.138 1.00 0.00 C ATOM 239 O GLY A 18 13.094 1.642 2.270 1.00 0.00 O ATOM 0 H GLY A 18 13.056 3.652 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.949 2.133 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.415 1.391 5.220 1.00 0.00 H new ATOM 243 N ILE A 19 14.796 0.341 2.967 1.00 0.00 N ATOM 244 CA ILE A 19 14.883 -0.414 1.720 1.00 0.00 C ATOM 245 C ILE A 19 13.514 -0.967 1.316 1.00 0.00 C ATOM 246 O ILE A 19 12.628 -1.118 2.154 1.00 0.00 O ATOM 247 CB ILE A 19 15.895 -1.572 1.830 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.483 -2.543 2.940 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.291 -1.021 2.082 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.396 -3.744 3.069 1.00 0.00 C ATOM 0 H ILE A 19 15.471 0.058 3.677 1.00 0.00 H new ATOM 0 HA ILE A 19 15.229 0.278 0.952 1.00 0.00 H new ATOM 0 HB ILE A 19 15.904 -2.122 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.464 -2.008 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.467 -2.889 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.999 -1.846 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.580 -0.370 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.295 -0.452 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.041 -4.386 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.396 -4.303 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.409 -3.409 3.292 1.00 0.00 H new ATOM 262 N PRO A 20 13.316 -1.254 0.016 1.00 0.00 N ATOM 263 CA PRO A 20 12.039 -1.770 -0.499 1.00 0.00 C ATOM 264 C PRO A 20 11.524 -2.993 0.262 1.00 0.00 C ATOM 265 O PRO A 20 10.326 -3.115 0.516 1.00 0.00 O ATOM 266 CB PRO A 20 12.369 -2.146 -1.946 1.00 0.00 C ATOM 267 CG PRO A 20 13.506 -1.259 -2.317 1.00 0.00 C ATOM 268 CD PRO A 20 14.312 -1.078 -1.061 1.00 0.00 C ATOM 0 HA PRO A 20 11.244 -1.032 -0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.644 -3.198 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.513 -1.987 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.109 -1.706 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.148 -0.301 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.114 -1.812 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.777 -0.093 -1.021 1.00 0.00 H new ATOM 276 N TRP A 21 12.419 -3.909 0.607 1.00 0.00 N ATOM 277 CA TRP A 21 12.022 -5.121 1.318 1.00 0.00 C ATOM 278 C TRP A 21 11.606 -4.840 2.761 1.00 0.00 C ATOM 279 O TRP A 21 11.142 -5.740 3.461 1.00 0.00 O ATOM 280 CB TRP A 21 13.146 -6.157 1.291 1.00 0.00 C ATOM 281 CG TRP A 21 13.464 -6.649 -0.088 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.303 -6.068 -0.995 1.00 0.00 C ATOM 283 CD2 TRP A 21 12.923 -7.811 -0.727 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.334 -6.811 -2.151 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.490 -7.883 -2.012 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.017 -8.801 -0.332 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.179 -8.906 -2.905 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.708 -9.813 -1.219 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.288 -9.860 -2.493 1.00 0.00 C ATOM 0 H TRP A 21 13.417 -3.839 0.409 1.00 0.00 H new ATOM 0 HA TRP A 21 11.152 -5.519 0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.043 -5.721 1.730 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.865 -7.005 1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.861 -5.158 -0.829 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.893 -6.600 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.567 -8.774 0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.625 -8.945 -3.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.008 -10.581 -0.926 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.027 -10.665 -3.164 1.00 0.00 H new ATOM 300 N THR A 22 11.768 -3.598 3.207 1.00 0.00 N ATOM 301 CA THR A 22 11.399 -3.231 4.573 1.00 0.00 C ATOM 302 C THR A 22 9.898 -3.383 4.793 1.00 0.00 C ATOM 303 O THR A 22 9.093 -2.896 4.000 1.00 0.00 O ATOM 304 CB THR A 22 11.808 -1.782 4.906 1.00 0.00 C ATOM 305 OG1 THR A 22 13.229 -1.637 4.802 1.00 0.00 O ATOM 306 CG2 THR A 22 11.358 -1.397 6.309 1.00 0.00 C ATOM 0 H THR A 22 12.149 -2.834 2.649 1.00 0.00 H new ATOM 0 HA THR A 22 11.937 -3.910 5.235 1.00 0.00 H new ATOM 0 HB THR A 22 11.320 -1.120 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.462 -1.341 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.659 -0.371 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.273 -1.479 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.819 -2.066 7.035 1.00 0.00 H new ATOM 314 N LYS A 23 9.529 -4.053 5.880 1.00 0.00 N ATOM 315 CA LYS A 23 8.124 -4.259 6.207 1.00 0.00 C ATOM 316 C LYS A 23 7.456 -2.927 6.532 1.00 0.00 C ATOM 317 O LYS A 23 8.028 -2.096 7.238 1.00 0.00 O ATOM 318 CB LYS A 23 7.983 -5.217 7.393 1.00 0.00 C ATOM 319 CG LYS A 23 6.539 -5.568 7.724 1.00 0.00 C ATOM 320 CD LYS A 23 5.862 -6.307 6.578 1.00 0.00 C ATOM 321 CE LYS A 23 6.527 -7.647 6.306 1.00 0.00 C ATOM 322 NZ LYS A 23 5.858 -8.386 5.199 1.00 0.00 N ATOM 0 H LYS A 23 10.183 -4.462 6.548 1.00 0.00 H new ATOM 0 HA LYS A 23 7.631 -4.701 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.530 -6.134 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.449 -4.768 8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.511 -6.185 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.985 -4.656 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.810 -6.464 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.897 -5.693 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.575 -7.487 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.506 -8.253 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.530 -9.056 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.040 -8.907 5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.536 -7.711 4.476 1.00 0.00 H new ATOM 336 N VAL A 24 6.247 -2.727 6.016 1.00 0.00 N ATOM 337 CA VAL A 24 5.515 -1.489 6.257 1.00 0.00 C ATOM 338 C VAL A 24 4.025 -1.755 6.454 1.00 0.00 C ATOM 339 O VAL A 24 3.399 -2.469 5.670 1.00 0.00 O ATOM 340 CB VAL A 24 5.703 -0.485 5.098 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.177 -0.166 4.898 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.093 -1.016 3.809 1.00 0.00 C ATOM 0 H VAL A 24 5.756 -3.403 5.431 1.00 0.00 H new ATOM 0 HA VAL A 24 5.924 -1.056 7.170 1.00 0.00 H new ATOM 0 HB VAL A 24 5.183 0.435 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.288 0.543 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.582 0.270 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.719 -1.082 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.240 -0.289 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.575 -1.955 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.026 -1.185 3.954 1.00 0.00 H new ATOM 352 N THR A 25 3.463 -1.177 7.512 1.00 0.00 N ATOM 353 CA THR A 25 2.048 -1.350 7.814 1.00 0.00 C ATOM 354 C THR A 25 1.208 -0.267 7.145 1.00 0.00 C ATOM 355 O THR A 25 1.419 0.925 7.372 1.00 0.00 O ATOM 356 CB THR A 25 1.795 -1.322 9.335 1.00 0.00 C ATOM 357 OG1 THR A 25 2.497 -2.397 9.968 1.00 0.00 O ATOM 358 CG2 THR A 25 0.308 -1.431 9.644 1.00 0.00 C ATOM 0 H THR A 25 3.966 -0.586 8.173 1.00 0.00 H new ATOM 0 HA THR A 25 1.753 -2.324 7.423 1.00 0.00 H new ATOM 0 HB THR A 25 2.160 -0.370 9.721 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.333 -2.371 10.934 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.158 -1.409 10.723 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.221 -0.595 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.079 -2.368 9.243 1.00 0.00 H new ATOM 366 N ILE A 26 0.251 -0.687 6.325 1.00 0.00 N ATOM 367 CA ILE A 26 -0.626 0.249 5.632 1.00 0.00 C ATOM 368 C ILE A 26 -1.725 0.749 6.561 1.00 0.00 C ATOM 369 O ILE A 26 -2.259 -0.008 7.371 1.00 0.00 O ATOM 370 CB ILE A 26 -1.270 -0.385 4.381 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.188 -0.822 3.389 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.232 0.596 3.725 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.739 -1.462 2.132 1.00 0.00 C ATOM 0 H ILE A 26 0.063 -1.669 6.124 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.005 1.087 5.315 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.833 -1.266 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.411 0.046 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.481 -1.527 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.678 0.134 2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.018 0.863 4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.690 1.494 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.085 -1.746 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.314 -2.349 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.385 -0.752 1.616 1.00 0.00 H new ATOM 385 N ARG A 27 -2.058 2.029 6.439 1.00 0.00 N ATOM 386 CA ARG A 27 -3.096 2.630 7.266 1.00 0.00 C ATOM 387 C ARG A 27 -3.826 3.720 6.490 1.00 0.00 C ATOM 388 O ARG A 27 -3.199 4.582 5.875 1.00 0.00 O ATOM 389 CB ARG A 27 -2.483 3.212 8.543 1.00 0.00 C ATOM 390 CG ARG A 27 -3.509 3.756 9.523 1.00 0.00 C ATOM 391 CD ARG A 27 -4.411 2.653 10.055 1.00 0.00 C ATOM 392 NE ARG A 27 -5.402 3.158 11.003 1.00 0.00 N ATOM 393 CZ ARG A 27 -5.095 3.707 12.177 1.00 0.00 C ATOM 394 NH1 ARG A 27 -3.827 3.822 12.552 1.00 0.00 N ATOM 395 NH2 ARG A 27 -6.059 4.141 12.977 1.00 0.00 N ATOM 0 H ARG A 27 -1.624 2.670 5.775 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.814 1.857 7.541 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.896 2.439 9.038 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.793 4.012 8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.998 4.242 10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.115 4.518 9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.921 2.170 9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.802 1.891 10.541 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.388 3.086 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.082 3.489 11.940 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.598 4.243 13.452 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.035 4.054 12.693 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.825 4.562 13.876 1.00 0.00 H new ATOM 409 N GLY A 28 -5.156 3.676 6.517 1.00 0.00 N ATOM 410 CA GLY A 28 -5.944 4.665 5.803 1.00 0.00 C ATOM 411 C GLY A 28 -7.422 4.582 6.131 1.00 0.00 C ATOM 412 O GLY A 28 -7.798 4.456 7.295 1.00 0.00 O ATOM 0 H GLY A 28 -5.700 2.975 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.577 5.662 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.806 4.529 4.730 1.00 0.00 H new ATOM 416 N GLU A 29 -8.262 4.659 5.100 1.00 0.00 N ATOM 417 CA GLU A 29 -9.709 4.601 5.284 1.00 0.00 C ATOM 418 C GLU A 29 -10.393 3.895 4.114 1.00 0.00 C ATOM 419 O GLU A 29 -10.083 4.155 2.952 1.00 0.00 O ATOM 420 CB GLU A 29 -10.280 6.015 5.422 1.00 0.00 C ATOM 421 CG GLU A 29 -9.775 6.774 6.640 1.00 0.00 C ATOM 422 CD GLU A 29 -10.247 6.169 7.947 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.475 6.041 8.133 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.389 5.828 8.789 1.00 0.00 O ATOM 0 H GLU A 29 -7.965 4.762 4.130 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.903 4.032 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.034 6.584 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.367 5.953 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.685 6.791 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.111 7.809 6.582 1.00 0.00 H new ATOM 431 N ASN A 30 -11.338 3.015 4.438 1.00 0.00 N ATOM 432 CA ASN A 30 -12.100 2.274 3.433 1.00 0.00 C ATOM 433 C ASN A 30 -11.209 1.384 2.568 1.00 0.00 C ATOM 434 O ASN A 30 -11.420 1.276 1.359 1.00 0.00 O ATOM 435 CB ASN A 30 -12.884 3.242 2.545 1.00 0.00 C ATOM 436 CG ASN A 30 -13.831 4.120 3.338 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.735 3.627 4.014 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.628 5.430 3.259 1.00 0.00 N ATOM 0 H ASN A 30 -11.597 2.796 5.400 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.791 1.624 3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.185 3.872 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.452 2.675 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.234 6.072 3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.867 5.794 2.687 1.00 0.00 H new ATOM 445 N LEU A 31 -10.230 0.731 3.186 1.00 0.00 N ATOM 446 CA LEU A 31 -9.334 -0.164 2.457 1.00 0.00 C ATOM 447 C LEU A 31 -9.962 -1.547 2.301 1.00 0.00 C ATOM 448 O LEU A 31 -9.328 -2.564 2.584 1.00 0.00 O ATOM 449 CB LEU A 31 -7.979 -0.281 3.162 1.00 0.00 C ATOM 450 CG LEU A 31 -7.039 0.914 2.980 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.617 2.160 3.627 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.665 0.601 3.555 1.00 0.00 C ATOM 0 H LEU A 31 -10.036 0.803 4.185 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.172 0.263 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.154 -0.425 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.475 -1.177 2.798 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.933 1.105 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.931 2.995 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.577 2.396 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.758 1.984 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.009 1.460 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.757 0.381 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.244 -0.263 3.041 1.00 0.00 H new ATOM 464 N GLY A 32 -11.213 -1.577 1.850 1.00 0.00 N ATOM 465 CA GLY A 32 -11.911 -2.836 1.666 1.00 0.00 C ATOM 466 C GLY A 32 -12.244 -3.512 2.982 1.00 0.00 C ATOM 467 O GLY A 32 -11.361 -3.762 3.802 1.00 0.00 O ATOM 0 H GLY A 32 -11.757 -0.749 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.831 -2.660 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.296 -3.504 1.063 1.00 0.00 H new ATOM 471 N THR A 33 -13.525 -3.805 3.184 1.00 0.00 N ATOM 472 CA THR A 33 -13.979 -4.454 4.409 1.00 0.00 C ATOM 473 C THR A 33 -13.916 -5.974 4.289 1.00 0.00 C ATOM 474 O THR A 33 -14.804 -6.681 4.767 1.00 0.00 O ATOM 475 CB THR A 33 -15.421 -4.035 4.755 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.315 -4.449 3.717 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.515 -2.528 4.937 1.00 0.00 C ATOM 0 H THR A 33 -14.267 -3.603 2.514 1.00 0.00 H new ATOM 0 HA THR A 33 -13.309 -4.133 5.206 1.00 0.00 H new ATOM 0 HB THR A 33 -15.702 -4.519 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.229 -4.180 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.542 -2.254 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.855 -2.217 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.216 -2.031 4.014 1.00 0.00 H new ATOM 485 N GLY A 34 -12.863 -6.473 3.648 1.00 0.00 N ATOM 486 CA GLY A 34 -12.710 -7.907 3.479 1.00 0.00 C ATOM 487 C GLY A 34 -11.698 -8.263 2.405 1.00 0.00 C ATOM 488 O GLY A 34 -11.560 -7.534 1.422 1.00 0.00 O ATOM 0 H GLY A 34 -12.114 -5.911 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.401 -8.350 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.675 -8.344 3.223 1.00 0.00 H new ATOM 492 N PRO A 35 -10.973 -9.387 2.561 1.00 0.00 N ATOM 493 CA PRO A 35 -9.976 -9.820 1.577 1.00 0.00 C ATOM 494 C PRO A 35 -10.556 -9.868 0.168 1.00 0.00 C ATOM 495 O PRO A 35 -9.911 -9.453 -0.795 1.00 0.00 O ATOM 496 CB PRO A 35 -9.593 -11.225 2.047 1.00 0.00 C ATOM 497 CG PRO A 35 -9.895 -11.239 3.507 1.00 0.00 C ATOM 498 CD PRO A 35 -11.073 -10.323 3.699 1.00 0.00 C ATOM 0 HA PRO A 35 -9.129 -9.136 1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.165 -11.988 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.539 -11.430 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.127 -12.248 3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.037 -10.897 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.014 -10.872 3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.023 -9.800 4.654 1.00 0.00 H new ATOM 506 N THR A 36 -11.784 -10.369 0.060 1.00 0.00 N ATOM 507 CA THR A 36 -12.465 -10.465 -1.227 1.00 0.00 C ATOM 508 C THR A 36 -12.650 -9.084 -1.845 1.00 0.00 C ATOM 509 O THR A 36 -12.587 -8.926 -3.064 1.00 0.00 O ATOM 510 CB THR A 36 -13.841 -11.143 -1.090 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.673 -10.392 -0.198 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.693 -12.566 -0.574 1.00 0.00 C ATOM 0 H THR A 36 -12.328 -10.715 0.850 1.00 0.00 H new ATOM 0 HA THR A 36 -11.836 -11.075 -1.876 1.00 0.00 H new ATOM 0 HB THR A 36 -14.304 -11.176 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.546 -10.830 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.678 -13.025 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.085 -13.144 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.211 -12.550 0.403 1.00 0.00 H new ATOM 520 N ASP A 37 -12.876 -8.088 -0.991 1.00 0.00 N ATOM 521 CA ASP A 37 -13.066 -6.712 -1.442 1.00 0.00 C ATOM 522 C ASP A 37 -11.729 -6.066 -1.789 1.00 0.00 C ATOM 523 O ASP A 37 -11.450 -4.933 -1.394 1.00 0.00 O ATOM 524 CB ASP A 37 -13.780 -5.893 -0.365 1.00 0.00 C ATOM 525 CG ASP A 37 -15.160 -6.434 -0.046 1.00 0.00 C ATOM 526 OD1 ASP A 37 -15.254 -7.601 0.389 1.00 0.00 O ATOM 527 OD2 ASP A 37 -16.145 -5.691 -0.236 1.00 0.00 O ATOM 0 H ASP A 37 -12.932 -8.209 0.020 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.684 -6.731 -2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.176 -5.887 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.866 -4.858 -0.697 1.00 0.00 H new ATOM 532 N LEU A 38 -10.906 -6.798 -2.530 1.00 0.00 N ATOM 533 CA LEU A 38 -9.595 -6.310 -2.936 1.00 0.00 C ATOM 534 C LEU A 38 -9.136 -7.067 -4.180 1.00 0.00 C ATOM 535 O LEU A 38 -9.044 -8.294 -4.169 1.00 0.00 O ATOM 536 CB LEU A 38 -8.593 -6.504 -1.789 1.00 0.00 C ATOM 537 CG LEU A 38 -7.425 -5.509 -1.738 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.542 -5.789 -0.532 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.604 -5.565 -3.015 1.00 0.00 C ATOM 0 H LEU A 38 -11.126 -7.737 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.654 -5.247 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.136 -6.445 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.183 -7.512 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.841 -4.506 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.719 -5.075 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.131 -5.692 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.143 -6.801 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.784 -4.850 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.201 -6.569 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.238 -5.316 -3.866 1.00 0.00 H new ATOM 551 N ILE A 39 -8.864 -6.333 -5.256 1.00 0.00 N ATOM 552 CA ILE A 39 -8.436 -6.945 -6.510 1.00 0.00 C ATOM 553 C ILE A 39 -7.411 -6.076 -7.233 1.00 0.00 C ATOM 554 O ILE A 39 -7.361 -6.045 -8.463 1.00 0.00 O ATOM 555 CB ILE A 39 -9.635 -7.185 -7.448 1.00 0.00 C ATOM 556 CG1 ILE A 39 -10.372 -5.866 -7.698 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.572 -8.228 -6.855 1.00 0.00 C ATOM 558 CD1 ILE A 39 -11.550 -5.993 -8.642 1.00 0.00 C ATOM 0 H ILE A 39 -8.932 -5.316 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.978 -7.900 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.271 -7.564 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.723 -5.471 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.669 -5.139 -8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.414 -8.386 -7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.034 -9.166 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.941 -7.879 -5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.021 -5.018 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.204 -6.358 -9.609 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.274 -6.694 -8.228 1.00 0.00 H new ATOM 570 N GLY A 40 -6.593 -5.382 -6.458 1.00 0.00 N ATOM 571 CA GLY A 40 -5.571 -4.527 -7.027 1.00 0.00 C ATOM 572 C GLY A 40 -4.657 -3.940 -5.972 1.00 0.00 C ATOM 573 O GLY A 40 -5.121 -3.364 -4.989 1.00 0.00 O ATOM 0 H GLY A 40 -6.618 -5.395 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.978 -5.099 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.046 -3.719 -7.583 1.00 0.00 H new ATOM 577 N LEU A 41 -3.354 -4.092 -6.174 1.00 0.00 N ATOM 578 CA LEU A 41 -2.368 -3.575 -5.234 1.00 0.00 C ATOM 579 C LEU A 41 -1.083 -3.224 -5.978 1.00 0.00 C ATOM 580 O LEU A 41 -0.606 -4.002 -6.805 1.00 0.00 O ATOM 581 CB LEU A 41 -2.096 -4.617 -4.139 1.00 0.00 C ATOM 582 CG LEU A 41 -1.478 -4.086 -2.838 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.091 -3.511 -3.081 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.387 -3.044 -2.202 1.00 0.00 C ATOM 0 H LEU A 41 -2.955 -4.570 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.753 -2.671 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.036 -5.111 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.432 -5.379 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.375 -4.924 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.320 -3.143 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.560 -4.288 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.158 -2.689 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.933 -2.679 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.526 -2.212 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.354 -3.494 -1.976 1.00 0.00 H new ATOM 596 N THR A 42 -0.527 -2.051 -5.690 1.00 0.00 N ATOM 597 CA THR A 42 0.698 -1.613 -6.352 1.00 0.00 C ATOM 598 C THR A 42 1.432 -0.552 -5.538 1.00 0.00 C ATOM 599 O THR A 42 0.854 0.462 -5.148 1.00 0.00 O ATOM 600 CB THR A 42 0.397 -1.043 -7.753 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.225 -2.044 -8.568 1.00 0.00 O ATOM 602 CG2 THR A 42 1.670 -0.553 -8.431 1.00 0.00 C ATOM 0 H THR A 42 -0.901 -1.391 -5.008 1.00 0.00 H new ATOM 0 HA THR A 42 1.334 -2.493 -6.443 1.00 0.00 H new ATOM 0 HB THR A 42 -0.280 -0.197 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.104 -2.924 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.428 -0.156 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.125 0.231 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.369 -1.383 -8.535 1.00 0.00 H new ATOM 610 N ILE A 43 2.720 -0.792 -5.301 1.00 0.00 N ATOM 611 CA ILE A 43 3.550 0.142 -4.553 1.00 0.00 C ATOM 612 C ILE A 43 4.652 0.703 -5.443 1.00 0.00 C ATOM 613 O ILE A 43 5.410 -0.051 -6.056 1.00 0.00 O ATOM 614 CB ILE A 43 4.194 -0.534 -3.322 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.126 -1.062 -2.370 1.00 0.00 C ATOM 616 CG2 ILE A 43 5.091 0.436 -2.590 1.00 0.00 C ATOM 617 CD1 ILE A 43 2.269 0.017 -1.741 1.00 0.00 C ATOM 0 H ILE A 43 3.210 -1.628 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 43 2.902 0.949 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 43 4.792 -1.372 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.481 -1.753 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.611 -1.633 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.535 -0.059 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.881 0.776 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.505 1.292 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.535 -0.442 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.901 0.696 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.753 0.574 -2.523 1.00 0.00 H new ATOM 629 N CYS A 44 4.737 2.028 -5.511 1.00 0.00 N ATOM 630 CA CYS A 44 5.746 2.690 -6.329 1.00 0.00 C ATOM 631 C CYS A 44 5.630 2.257 -7.788 1.00 0.00 C ATOM 632 O CYS A 44 6.629 1.947 -8.435 1.00 0.00 O ATOM 633 CB CYS A 44 7.147 2.378 -5.799 1.00 0.00 C ATOM 634 SG CYS A 44 7.413 2.873 -4.080 1.00 0.00 S ATOM 0 H CYS A 44 4.118 2.665 -5.009 1.00 0.00 H new ATOM 0 HA CYS A 44 5.577 3.765 -6.274 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.328 1.307 -5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.882 2.880 -6.428 1.00 0.00 H new ATOM 0 HG CYS A 44 8.388 3.731 -4.021 1.00 0.00 H new ATOM 640 N GLY A 45 4.402 2.242 -8.297 1.00 0.00 N ATOM 641 CA GLY A 45 4.166 1.851 -9.677 1.00 0.00 C ATOM 642 C GLY A 45 4.582 0.419 -9.967 1.00 0.00 C ATOM 643 O GLY A 45 4.641 0.008 -11.126 1.00 0.00 O ATOM 0 H GLY A 45 3.562 2.495 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.107 1.970 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.713 2.523 -10.338 1.00 0.00 H new ATOM 647 N HIS A 46 4.865 -0.341 -8.915 1.00 0.00 N ATOM 648 CA HIS A 46 5.273 -1.734 -9.068 1.00 0.00 C ATOM 649 C HIS A 46 4.250 -2.677 -8.438 1.00 0.00 C ATOM 650 O HIS A 46 3.807 -2.463 -7.311 1.00 0.00 O ATOM 651 CB HIS A 46 6.646 -1.956 -8.431 1.00 0.00 C ATOM 652 CG HIS A 46 7.133 -3.367 -8.543 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.385 -3.982 -9.751 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.410 -4.288 -7.589 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.795 -5.219 -9.536 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.819 -5.428 -8.233 1.00 0.00 N ATOM 0 H HIS A 46 4.820 -0.018 -7.949 1.00 0.00 H new ATOM 0 HA HIS A 46 5.332 -1.953 -10.134 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.369 -1.291 -8.904 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.599 -1.678 -7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.325 -4.150 -6.521 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.065 -5.937 -10.297 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.097 -6.298 -7.778 1.00 0.00 H new ATOM 665 N ASN A 47 3.883 -3.722 -9.174 1.00 0.00 N ATOM 666 CA ASN A 47 2.913 -4.698 -8.688 1.00 0.00 C ATOM 667 C ASN A 47 3.438 -5.421 -7.451 1.00 0.00 C ATOM 668 O ASN A 47 4.582 -5.873 -7.425 1.00 0.00 O ATOM 669 CB ASN A 47 2.588 -5.713 -9.786 1.00 0.00 C ATOM 670 CG ASN A 47 1.578 -6.750 -9.335 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.447 -6.419 -8.976 1.00 0.00 O ATOM 672 ND2 ASN A 47 1.981 -8.016 -9.353 1.00 0.00 N ATOM 0 H ASN A 47 4.243 -3.915 -10.109 1.00 0.00 H new ATOM 0 HA ASN A 47 2.004 -4.163 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.200 -5.188 -10.659 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.505 -6.214 -10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.344 -8.758 -9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.927 -8.246 -9.658 1.00 0.00 H new ATOM 679 N CYS A 48 2.589 -5.527 -6.432 1.00 0.00 N ATOM 680 CA CYS A 48 2.956 -6.196 -5.187 1.00 0.00 C ATOM 681 C CYS A 48 1.718 -6.754 -4.490 1.00 0.00 C ATOM 682 O CYS A 48 1.601 -6.694 -3.265 1.00 0.00 O ATOM 683 CB CYS A 48 3.676 -5.223 -4.248 1.00 0.00 C ATOM 684 SG CYS A 48 5.222 -4.554 -4.904 1.00 0.00 S ATOM 0 H CYS A 48 1.639 -5.157 -6.444 1.00 0.00 H new ATOM 0 HA CYS A 48 3.626 -7.020 -5.433 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.005 -4.395 -4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.886 -5.733 -3.308 1.00 0.00 H new ATOM 0 HG CYS A 48 5.442 -5.049 -6.086 1.00 0.00 H new ATOM 690 N LEU A 49 0.791 -7.290 -5.280 1.00 0.00 N ATOM 691 CA LEU A 49 -0.443 -7.853 -4.741 1.00 0.00 C ATOM 692 C LEU A 49 -0.186 -9.174 -4.020 1.00 0.00 C ATOM 693 O LEU A 49 -0.754 -9.429 -2.957 1.00 0.00 O ATOM 694 CB LEU A 49 -1.469 -8.059 -5.858 1.00 0.00 C ATOM 695 CG LEU A 49 -2.794 -8.684 -5.413 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.487 -7.799 -4.389 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.700 -8.920 -6.613 1.00 0.00 C ATOM 0 H LEU A 49 0.871 -7.346 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.840 -7.143 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.677 -7.095 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.025 -8.693 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.580 -9.645 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.427 -8.261 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.844 -7.679 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.688 -6.822 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.638 -9.365 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.904 -7.970 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.208 -9.595 -7.314 1.00 0.00 H new ATOM 709 N LEU A 50 0.659 -10.014 -4.610 1.00 0.00 N ATOM 710 CA LEU A 50 0.974 -11.315 -4.026 1.00 0.00 C ATOM 711 C LEU A 50 1.551 -11.172 -2.617 1.00 0.00 C ATOM 712 O LEU A 50 1.310 -12.017 -1.755 1.00 0.00 O ATOM 713 CB LEU A 50 1.925 -12.099 -4.942 1.00 0.00 C ATOM 714 CG LEU A 50 3.197 -11.367 -5.377 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.244 -11.396 -4.276 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.750 -11.982 -6.654 1.00 0.00 C ATOM 0 H LEU A 50 1.137 -9.819 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 50 0.045 -11.878 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.215 -13.017 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.375 -12.393 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 50 2.941 -10.326 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.138 -10.869 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.848 -10.910 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.498 -12.430 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.654 -11.451 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.986 -13.032 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.006 -11.904 -7.447 1.00 0.00 H new ATOM 728 N THR A 51 2.300 -10.097 -2.382 1.00 0.00 N ATOM 729 CA THR A 51 2.888 -9.853 -1.067 1.00 0.00 C ATOM 730 C THR A 51 1.861 -9.255 -0.112 1.00 0.00 C ATOM 731 O THR A 51 1.846 -9.574 1.077 1.00 0.00 O ATOM 732 CB THR A 51 4.104 -8.907 -1.143 1.00 0.00 C ATOM 733 OG1 THR A 51 3.781 -7.754 -1.927 1.00 0.00 O ATOM 734 CG2 THR A 51 5.316 -9.613 -1.734 1.00 0.00 C ATOM 0 H THR A 51 2.513 -9.385 -3.080 1.00 0.00 H new ATOM 0 HA THR A 51 3.220 -10.822 -0.694 1.00 0.00 H new ATOM 0 HB THR A 51 4.353 -8.596 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.825 -7.761 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.157 -8.920 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.579 -10.467 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.081 -9.958 -2.741 1.00 0.00 H new ATOM 742 N ALA A 52 1.009 -8.381 -0.638 1.00 0.00 N ATOM 743 CA ALA A 52 -0.018 -7.728 0.168 1.00 0.00 C ATOM 744 C ALA A 52 -0.966 -8.739 0.801 1.00 0.00 C ATOM 745 O ALA A 52 -1.489 -9.627 0.127 1.00 0.00 O ATOM 746 CB ALA A 52 -0.799 -6.731 -0.674 1.00 0.00 C ATOM 0 H ALA A 52 1.009 -8.108 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 52 0.487 -7.196 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.561 -6.253 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.120 -5.973 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.277 -7.251 -1.504 1.00 0.00 H new ATOM 752 N GLU A 53 -1.190 -8.584 2.102 1.00 0.00 N ATOM 753 CA GLU A 53 -2.084 -9.465 2.841 1.00 0.00 C ATOM 754 C GLU A 53 -3.123 -8.647 3.600 1.00 0.00 C ATOM 755 O GLU A 53 -2.779 -7.729 4.345 1.00 0.00 O ATOM 756 CB GLU A 53 -1.286 -10.336 3.814 1.00 0.00 C ATOM 757 CG GLU A 53 -2.147 -11.282 4.635 1.00 0.00 C ATOM 758 CD GLU A 53 -1.333 -12.130 5.595 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.092 -11.987 5.611 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.938 -12.939 6.330 1.00 0.00 O ATOM 0 H GLU A 53 -0.761 -7.852 2.668 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.598 -10.113 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.556 -10.919 3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.725 -9.690 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.879 -10.704 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.705 -11.935 3.963 1.00 0.00 H new ATOM 767 N TRP A 54 -4.393 -8.983 3.407 1.00 0.00 N ATOM 768 CA TRP A 54 -5.477 -8.274 4.074 1.00 0.00 C ATOM 769 C TRP A 54 -5.418 -8.493 5.583 1.00 0.00 C ATOM 770 O TRP A 54 -5.106 -9.591 6.046 1.00 0.00 O ATOM 771 CB TRP A 54 -6.829 -8.740 3.539 1.00 0.00 C ATOM 772 CG TRP A 54 -7.972 -7.897 4.013 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.461 -6.770 3.418 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.748 -8.096 5.197 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.509 -6.268 4.151 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.702 -7.063 5.251 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.733 -9.053 6.216 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.632 -6.961 6.283 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.654 -8.949 7.240 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.593 -7.910 7.267 1.00 0.00 C ATOM 0 H TRP A 54 -4.697 -9.741 2.795 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.360 -7.210 3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.805 -8.729 2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.997 -9.773 3.844 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.080 -6.337 2.505 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.054 -5.439 3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.014 -9.859 6.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.358 -6.161 6.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.650 -9.681 8.034 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.300 -7.857 8.081 1.00 0.00 H new ATOM 791 N MET A 55 -5.717 -7.446 6.345 1.00 0.00 N ATOM 792 CA MET A 55 -5.696 -7.534 7.801 1.00 0.00 C ATOM 793 C MET A 55 -6.961 -6.937 8.406 1.00 0.00 C ATOM 794 O MET A 55 -7.540 -7.499 9.335 1.00 0.00 O ATOM 795 CB MET A 55 -4.468 -6.815 8.361 1.00 0.00 C ATOM 796 CG MET A 55 -3.147 -7.398 7.885 1.00 0.00 C ATOM 797 SD MET A 55 -2.884 -9.089 8.452 1.00 0.00 S ATOM 798 CE MET A 55 -2.786 -8.842 10.224 1.00 0.00 C ATOM 0 H MET A 55 -5.976 -6.529 5.980 1.00 0.00 H new ATOM 0 HA MET A 55 -5.649 -8.589 8.070 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.514 -5.763 8.078 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.501 -6.854 9.450 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.117 -7.376 6.796 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.329 -6.770 8.239 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.301 -9.702 10.685 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.207 -7.943 10.435 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.791 -8.730 10.632 1.00 0.00 H new ATOM 808 N SER A 56 -7.384 -5.794 7.873 1.00 0.00 N ATOM 809 CA SER A 56 -8.581 -5.118 8.365 1.00 0.00 C ATOM 810 C SER A 56 -9.113 -4.128 7.333 1.00 0.00 C ATOM 811 O SER A 56 -8.713 -4.152 6.169 1.00 0.00 O ATOM 812 CB SER A 56 -8.276 -4.388 9.676 1.00 0.00 C ATOM 813 OG SER A 56 -7.871 -5.293 10.687 1.00 0.00 O ATOM 0 H SER A 56 -6.917 -5.317 7.102 1.00 0.00 H new ATOM 0 HA SER A 56 -9.346 -5.874 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.491 -3.650 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.161 -3.843 10.006 1.00 0.00 H new ATOM 0 HG SER A 56 -8.079 -6.209 10.409 1.00 0.00 H new ATOM 819 N ALA A 57 -10.020 -3.260 7.772 1.00 0.00 N ATOM 820 CA ALA A 57 -10.616 -2.259 6.896 1.00 0.00 C ATOM 821 C ALA A 57 -9.652 -1.108 6.626 1.00 0.00 C ATOM 822 O ALA A 57 -9.932 -0.236 5.804 1.00 0.00 O ATOM 823 CB ALA A 57 -11.910 -1.736 7.500 1.00 0.00 C ATOM 0 H ALA A 57 -10.359 -3.231 8.734 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.837 -2.737 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.345 -0.989 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.611 -2.561 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.702 -1.283 8.469 1.00 0.00 H new ATOM 829 N SER A 58 -8.522 -1.107 7.326 1.00 0.00 N ATOM 830 CA SER A 58 -7.524 -0.055 7.162 1.00 0.00 C ATOM 831 C SER A 58 -6.140 -0.541 7.583 1.00 0.00 C ATOM 832 O SER A 58 -5.429 0.141 8.320 1.00 0.00 O ATOM 833 CB SER A 58 -7.915 1.177 7.982 1.00 0.00 C ATOM 834 OG SER A 58 -9.172 1.687 7.573 1.00 0.00 O ATOM 0 H SER A 58 -8.274 -1.821 8.011 1.00 0.00 H new ATOM 0 HA SER A 58 -7.487 0.213 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.952 0.916 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.153 1.948 7.870 1.00 0.00 H new ATOM 0 HG SER A 58 -9.398 2.472 8.114 1.00 0.00 H new ATOM 840 N LYS A 59 -5.765 -1.724 7.105 1.00 0.00 N ATOM 841 CA LYS A 59 -4.464 -2.301 7.427 1.00 0.00 C ATOM 842 C LYS A 59 -4.125 -3.445 6.475 1.00 0.00 C ATOM 843 O LYS A 59 -4.927 -4.358 6.280 1.00 0.00 O ATOM 844 CB LYS A 59 -4.446 -2.801 8.875 1.00 0.00 C ATOM 845 CG LYS A 59 -3.127 -3.439 9.282 1.00 0.00 C ATOM 846 CD LYS A 59 -3.156 -3.911 10.727 1.00 0.00 C ATOM 847 CE LYS A 59 -1.843 -4.563 11.126 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.856 -5.026 12.541 1.00 0.00 N ATOM 0 H LYS A 59 -6.343 -2.301 6.494 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.711 -1.522 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.657 -1.965 9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.248 -3.527 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.913 -4.284 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.318 -2.720 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.357 -3.064 11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.972 -4.621 10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.645 -5.410 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.028 -3.853 10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.941 -5.464 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.019 -4.214 13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.617 -5.723 12.671 1.00 0.00 H new ATOM 862 N ILE A 60 -2.930 -3.388 5.890 1.00 0.00 N ATOM 863 CA ILE A 60 -2.477 -4.419 4.958 1.00 0.00 C ATOM 864 C ILE A 60 -0.959 -4.563 4.999 1.00 0.00 C ATOM 865 O ILE A 60 -0.229 -3.586 4.834 1.00 0.00 O ATOM 866 CB ILE A 60 -2.897 -4.104 3.503 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.422 -4.060 3.371 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.313 -5.136 2.547 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.902 -3.700 1.980 1.00 0.00 C ATOM 0 H ILE A 60 -2.257 -2.637 6.045 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.950 -5.349 5.273 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.504 -3.121 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.830 -5.033 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.819 -3.335 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.618 -4.901 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.225 -5.119 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.678 -6.128 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.992 -3.688 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.524 -2.714 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.536 -4.438 1.266 1.00 0.00 H new ATOM 881 N VAL A 61 -0.495 -5.789 5.205 1.00 0.00 N ATOM 882 CA VAL A 61 0.935 -6.069 5.252 1.00 0.00 C ATOM 883 C VAL A 61 1.486 -6.277 3.845 1.00 0.00 C ATOM 884 O VAL A 61 0.957 -7.081 3.077 1.00 0.00 O ATOM 885 CB VAL A 61 1.231 -7.318 6.104 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.717 -7.641 6.089 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.737 -7.121 7.530 1.00 0.00 C ATOM 0 H VAL A 61 -1.089 -6.607 5.342 1.00 0.00 H new ATOM 0 HA VAL A 61 1.422 -5.208 5.710 1.00 0.00 H new ATOM 0 HB VAL A 61 0.696 -8.163 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.903 -8.526 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.038 -7.830 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.277 -6.798 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.955 -8.013 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.241 -6.263 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.339 -6.946 7.521 1.00 0.00 H new ATOM 897 N CYS A 62 2.548 -5.553 3.509 1.00 0.00 N ATOM 898 CA CYS A 62 3.158 -5.670 2.188 1.00 0.00 C ATOM 899 C CYS A 62 4.481 -4.919 2.124 1.00 0.00 C ATOM 900 O CYS A 62 4.637 -3.864 2.737 1.00 0.00 O ATOM 901 CB CYS A 62 2.213 -5.126 1.115 1.00 0.00 C ATOM 902 SG CYS A 62 1.928 -3.344 1.217 1.00 0.00 S ATOM 0 H CYS A 62 3.003 -4.882 4.128 1.00 0.00 H new ATOM 0 HA CYS A 62 3.348 -6.727 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.622 -5.362 0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.256 -5.641 1.194 1.00 0.00 H new ATOM 0 HG CYS A 62 2.910 -2.784 1.859 1.00 0.00 H new ATOM 908 N ARG A 63 5.428 -5.464 1.368 1.00 0.00 N ATOM 909 CA ARG A 63 6.731 -4.835 1.215 1.00 0.00 C ATOM 910 C ARG A 63 6.685 -3.782 0.114 1.00 0.00 C ATOM 911 O ARG A 63 6.185 -4.038 -0.983 1.00 0.00 O ATOM 912 CB ARG A 63 7.802 -5.879 0.892 1.00 0.00 C ATOM 913 CG ARG A 63 7.514 -6.679 -0.368 1.00 0.00 C ATOM 914 CD ARG A 63 8.704 -7.539 -0.761 1.00 0.00 C ATOM 915 NE ARG A 63 9.885 -6.732 -1.057 1.00 0.00 N ATOM 916 CZ ARG A 63 9.962 -5.874 -2.072 1.00 0.00 C ATOM 917 NH1 ARG A 63 8.936 -5.722 -2.899 1.00 0.00 N ATOM 918 NH2 ARG A 63 11.068 -5.169 -2.263 1.00 0.00 N ATOM 0 H ARG A 63 5.316 -6.338 0.854 1.00 0.00 H new ATOM 0 HA ARG A 63 6.988 -4.353 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.764 -5.378 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.894 -6.565 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.642 -7.313 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.268 -6.000 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.932 -8.234 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.446 -8.139 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 63 10.699 -6.832 -0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.083 -6.264 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.000 -5.063 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.861 -5.284 -1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.126 -4.512 -3.041 1.00 0.00 H new ATOM 932 N VAL A 64 7.204 -2.598 0.413 1.00 0.00 N ATOM 933 CA VAL A 64 7.218 -1.505 -0.550 1.00 0.00 C ATOM 934 C VAL A 64 8.028 -1.868 -1.795 1.00 0.00 C ATOM 935 O VAL A 64 9.195 -2.245 -1.704 1.00 0.00 O ATOM 936 CB VAL A 64 7.790 -0.222 0.079 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.817 0.348 1.098 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.140 -0.502 0.725 1.00 0.00 C ATOM 0 H VAL A 64 7.621 -2.370 1.316 1.00 0.00 H new ATOM 0 HA VAL A 64 6.184 -1.326 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 64 7.934 0.517 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.236 1.255 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.873 0.584 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.643 -0.386 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.530 0.416 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.022 -1.256 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.836 -0.867 -0.030 1.00 0.00 H new ATOM 1052 N GLY A 72 6.160 7.166 -4.584 1.00 0.00 N ATOM 1053 CA GLY A 72 5.746 5.832 -4.195 1.00 0.00 C ATOM 1054 C GLY A 72 4.337 5.801 -3.635 1.00 0.00 C ATOM 1055 O GLY A 72 4.098 5.223 -2.575 1.00 0.00 O ATOM 0 HA2 GLY A 72 5.805 5.170 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.439 5.443 -3.449 1.00 0.00 H new ATOM 1059 N ASP A 73 3.403 6.427 -4.348 1.00 0.00 N ATOM 1060 CA ASP A 73 2.012 6.470 -3.912 1.00 0.00 C ATOM 1061 C ASP A 73 1.449 5.062 -3.739 1.00 0.00 C ATOM 1062 O ASP A 73 1.612 4.205 -4.608 1.00 0.00 O ATOM 1063 CB ASP A 73 1.163 7.260 -4.914 1.00 0.00 C ATOM 1064 CG ASP A 73 1.270 6.722 -6.330 1.00 0.00 C ATOM 1065 OD1 ASP A 73 0.819 5.583 -6.570 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.806 7.442 -7.198 1.00 0.00 O ATOM 0 H ASP A 73 3.585 6.910 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 73 1.976 6.973 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.120 7.235 -4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.474 8.305 -4.903 1.00 0.00 H new ATOM 1071 N ILE A 74 0.792 4.827 -2.607 1.00 0.00 N ATOM 1072 CA ILE A 74 0.209 3.522 -2.322 1.00 0.00 C ATOM 1073 C ILE A 74 -1.196 3.418 -2.908 1.00 0.00 C ATOM 1074 O ILE A 74 -2.077 4.212 -2.579 1.00 0.00 O ATOM 1075 CB ILE A 74 0.163 3.255 -0.803 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.575 3.355 -0.216 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.445 1.888 -0.519 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.627 3.219 1.291 1.00 0.00 C ATOM 0 H ILE A 74 0.651 5.522 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 74 0.843 2.768 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.467 4.008 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.198 2.580 -0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.008 4.315 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.469 1.717 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.460 1.852 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.158 1.115 -0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.660 3.301 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.032 4.010 1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.226 2.248 1.583 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.398 2.439 -3.785 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.694 2.240 -4.423 1.00 0.00 C ATOM 1092 C ILE A 75 -3.354 0.949 -3.947 1.00 0.00 C ATOM 1093 O ILE A 75 -2.691 -0.078 -3.800 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.563 2.197 -5.961 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.805 3.429 -6.472 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.937 2.104 -6.610 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.459 4.749 -6.115 1.00 0.00 C ATOM 0 H ILE A 75 -0.681 1.772 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.317 3.088 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.994 1.309 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.794 3.415 -6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.713 3.362 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.826 2.075 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.438 1.197 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.531 2.973 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.862 5.570 -6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.460 4.787 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.526 4.840 -5.031 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.663 1.005 -3.712 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.407 -0.165 -3.259 1.00 0.00 C ATOM 1111 C VAL A 76 -6.783 -0.228 -3.914 1.00 0.00 C ATOM 1112 O VAL A 76 -7.661 0.585 -3.621 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.584 -0.169 -1.728 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.330 -1.417 -1.278 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -4.236 -0.066 -1.030 1.00 0.00 C ATOM 0 H VAL A 76 -5.228 1.846 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.823 -1.038 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.177 0.702 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.445 -1.401 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.314 -1.442 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.766 -2.303 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.384 -0.071 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.613 -0.914 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.744 0.861 -1.325 1.00 0.00 H new ATOM 1125 N THR A 77 -6.965 -1.205 -4.796 1.00 0.00 N ATOM 1126 CA THR A 77 -8.232 -1.389 -5.493 1.00 0.00 C ATOM 1127 C THR A 77 -9.243 -2.103 -4.601 1.00 0.00 C ATOM 1128 O THR A 77 -8.883 -2.988 -3.824 1.00 0.00 O ATOM 1129 CB THR A 77 -8.043 -2.193 -6.794 1.00 0.00 C ATOM 1130 OG1 THR A 77 -7.086 -1.539 -7.638 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.361 -2.342 -7.541 1.00 0.00 C ATOM 0 H THR A 77 -6.247 -1.885 -5.046 1.00 0.00 H new ATOM 0 HA THR A 77 -8.610 -0.398 -5.744 1.00 0.00 H new ATOM 0 HB THR A 77 -7.681 -3.186 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.086 -1.962 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.199 -2.913 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.080 -2.864 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.749 -1.355 -7.794 1.00 0.00 H new ATOM 1139 N THR A 78 -10.510 -1.711 -4.712 1.00 0.00 N ATOM 1140 CA THR A 78 -11.569 -2.313 -3.911 1.00 0.00 C ATOM 1141 C THR A 78 -12.812 -2.586 -4.749 1.00 0.00 C ATOM 1142 O THR A 78 -13.193 -1.778 -5.597 1.00 0.00 O ATOM 1143 CB THR A 78 -11.952 -1.412 -2.721 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.410 -0.140 -3.197 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.766 -1.215 -1.791 1.00 0.00 C ATOM 0 H THR A 78 -10.827 -0.980 -5.349 1.00 0.00 H new ATOM 0 HA THR A 78 -11.179 -3.258 -3.533 1.00 0.00 H new ATOM 0 HB THR A 78 -12.753 -1.900 -2.165 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.653 0.426 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.059 -0.576 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.439 -2.182 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.948 -0.746 -2.338 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.437 -3.734 -4.506 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.638 -4.129 -5.234 1.00 0.00 C ATOM 1155 C LYS A 79 -15.733 -3.074 -5.099 1.00 0.00 C ATOM 1156 O LYS A 79 -16.350 -2.676 -6.086 1.00 0.00 O ATOM 1157 CB LYS A 79 -15.148 -5.477 -4.720 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.127 -6.601 -4.834 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.763 -6.893 -6.283 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.959 -7.404 -7.071 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.607 -7.694 -8.489 1.00 0.00 N ATOM 0 H LYS A 79 -13.130 -4.410 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.378 -4.221 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.443 -5.370 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.043 -5.753 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.227 -6.331 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.527 -7.503 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.379 -5.987 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.963 -7.633 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.344 -8.309 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.758 -6.663 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.436 -8.088 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.312 -6.815 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.828 -8.382 -8.520 1.00 0.00 H new ATOM 1175 N SER A 80 -15.968 -2.624 -3.869 1.00 0.00 N ATOM 1176 CA SER A 80 -16.987 -1.614 -3.609 1.00 0.00 C ATOM 1177 C SER A 80 -16.589 -0.279 -4.227 1.00 0.00 C ATOM 1178 O SER A 80 -17.354 0.323 -4.982 1.00 0.00 O ATOM 1179 CB SER A 80 -17.201 -1.450 -2.103 1.00 0.00 C ATOM 1180 OG SER A 80 -17.594 -2.675 -1.507 1.00 0.00 O ATOM 0 H SER A 80 -15.467 -2.943 -3.039 1.00 0.00 H new ATOM 0 HA SER A 80 -17.920 -1.945 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.281 -1.095 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.963 -0.692 -1.921 1.00 0.00 H new ATOM 0 HG SER A 80 -17.723 -2.544 -0.544 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.383 0.175 -3.904 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.889 1.432 -4.435 1.00 0.00 C ATOM 1188 C GLY A 81 -14.178 1.259 -5.762 1.00 0.00 C ATOM 1189 O GLY A 81 -14.737 0.703 -6.709 1.00 0.00 O ATOM 0 H GLY A 81 -14.736 -0.308 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.723 2.123 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.206 1.884 -3.716 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.938 1.735 -5.828 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.158 1.624 -7.047 1.00 0.00 C ATOM 1195 C GLY A 82 -10.679 1.859 -6.804 1.00 0.00 C ATOM 1196 O GLY A 82 -10.113 1.331 -5.847 1.00 0.00 O ATOM 0 H GLY A 82 -12.458 2.197 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.301 0.633 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.524 2.346 -7.777 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.051 2.651 -7.669 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.629 2.946 -7.532 1.00 0.00 C ATOM 1202 C LYS A 83 -8.352 3.640 -6.200 1.00 0.00 C ATOM 1203 O LYS A 83 -8.962 4.660 -5.881 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.152 3.820 -8.695 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.667 4.141 -8.647 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.230 4.946 -9.860 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.739 5.238 -9.826 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.354 6.018 -8.618 1.00 0.00 N ATOM 0 H LYS A 83 -10.502 3.097 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.078 2.006 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.375 3.314 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.717 4.752 -8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.444 4.701 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.095 3.214 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.474 4.397 -10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.785 5.884 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.185 4.300 -9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.457 5.792 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.320 5.995 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.668 7.003 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.804 5.602 -7.778 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.433 3.071 -5.426 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.094 3.634 -4.130 1.00 0.00 C ATOM 1224 C GLY A 84 -6.283 4.913 -4.227 1.00 0.00 C ATOM 1225 O GLY A 84 -5.279 4.969 -4.936 1.00 0.00 O ATOM 0 H GLY A 84 -6.915 2.228 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.012 3.834 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.531 2.897 -3.557 1.00 0.00 H new ATOM 1229 N THR A 85 -6.717 5.937 -3.497 1.00 0.00 N ATOM 1230 CA THR A 85 -6.027 7.222 -3.481 1.00 0.00 C ATOM 1231 C THR A 85 -5.162 7.356 -2.232 1.00 0.00 C ATOM 1232 O THR A 85 -5.506 6.831 -1.172 1.00 0.00 O ATOM 1233 CB THR A 85 -7.018 8.399 -3.533 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.897 8.352 -2.402 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.834 8.362 -4.816 1.00 0.00 C ATOM 0 H THR A 85 -7.548 5.900 -2.906 1.00 0.00 H new ATOM 0 HA THR A 85 -5.396 7.255 -4.369 1.00 0.00 H new ATOM 0 HB THR A 85 -6.446 9.327 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.523 9.105 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.527 9.203 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.165 8.428 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.395 7.429 -4.864 1.00 0.00 H new ATOM 1243 N SER A 86 -4.040 8.059 -2.358 1.00 0.00 N ATOM 1244 CA SER A 86 -3.136 8.252 -1.230 1.00 0.00 C ATOM 1245 C SER A 86 -2.219 9.450 -1.453 1.00 0.00 C ATOM 1246 O SER A 86 -1.519 9.531 -2.462 1.00 0.00 O ATOM 1247 CB SER A 86 -2.291 6.994 -1.012 1.00 0.00 C ATOM 1248 OG SER A 86 -1.510 6.704 -2.158 1.00 0.00 O ATOM 0 H SER A 86 -3.737 8.502 -3.225 1.00 0.00 H new ATOM 0 HA SER A 86 -3.743 8.444 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.640 7.134 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.941 6.149 -0.787 1.00 0.00 H new ATOM 0 HG SER A 86 -1.606 5.756 -2.388 1.00 0.00 H new ATOM 1254 N THR A 87 -2.222 10.371 -0.493 1.00 0.00 N ATOM 1255 CA THR A 87 -1.383 11.561 -0.570 1.00 0.00 C ATOM 1256 C THR A 87 -0.117 11.378 0.263 1.00 0.00 C ATOM 1257 O THR A 87 0.326 12.296 0.954 1.00 0.00 O ATOM 1258 CB THR A 87 -2.135 12.812 -0.078 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.520 12.647 1.291 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.371 13.068 -0.929 1.00 0.00 C ATOM 0 H THR A 87 -2.797 10.315 0.348 1.00 0.00 H new ATOM 0 HA THR A 87 -1.116 11.702 -1.617 1.00 0.00 H new ATOM 0 HB THR A 87 -1.467 13.668 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.996 13.448 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.887 13.956 -0.564 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.073 13.222 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.039 12.209 -0.867 1.00 0.00 H new ATOM 1268 N VAL A 88 0.453 10.179 0.193 1.00 0.00 N ATOM 1269 CA VAL A 88 1.664 9.850 0.939 1.00 0.00 C ATOM 1270 C VAL A 88 2.516 8.848 0.172 1.00 0.00 C ATOM 1271 O VAL A 88 2.015 8.120 -0.686 1.00 0.00 O ATOM 1272 CB VAL A 88 1.338 9.261 2.327 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.640 10.290 3.201 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.488 8.007 2.187 1.00 0.00 C ATOM 0 H VAL A 88 0.093 9.414 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 88 2.214 10.782 1.071 1.00 0.00 H new ATOM 0 HB VAL A 88 2.276 8.988 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.420 9.852 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.288 11.156 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.290 10.601 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.267 7.605 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.444 8.254 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.031 7.262 1.605 1.00 0.00 H new ATOM 1284 N SER A 89 3.806 8.817 0.481 1.00 0.00 N ATOM 1285 CA SER A 89 4.724 7.905 -0.185 1.00 0.00 C ATOM 1286 C SER A 89 5.876 7.523 0.737 1.00 0.00 C ATOM 1287 O SER A 89 6.404 8.359 1.471 1.00 0.00 O ATOM 1288 CB SER A 89 5.267 8.545 -1.464 1.00 0.00 C ATOM 1289 OG SER A 89 5.978 9.736 -1.176 1.00 0.00 O ATOM 0 H SER A 89 4.239 9.412 1.187 1.00 0.00 H new ATOM 0 HA SER A 89 4.176 6.999 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.923 7.841 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.443 8.765 -2.143 1.00 0.00 H new ATOM 0 HG SER A 89 6.316 10.125 -2.010 1.00 0.00 H new ATOM 1295 N PHE A 90 6.252 6.250 0.699 1.00 0.00 N ATOM 1296 CA PHE A 90 7.335 5.745 1.534 1.00 0.00 C ATOM 1297 C PHE A 90 8.692 5.977 0.876 1.00 0.00 C ATOM 1298 O PHE A 90 8.909 5.589 -0.272 1.00 0.00 O ATOM 1299 CB PHE A 90 7.135 4.249 1.790 1.00 0.00 C ATOM 1300 CG PHE A 90 8.239 3.623 2.591 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.439 3.970 3.916 1.00 0.00 C ATOM 1302 CD2 PHE A 90 9.076 2.681 2.017 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.453 3.390 4.653 1.00 0.00 C ATOM 1304 CE2 PHE A 90 10.093 2.097 2.748 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.282 2.453 4.068 1.00 0.00 C ATOM 0 H PHE A 90 5.822 5.547 0.098 1.00 0.00 H new ATOM 0 HA PHE A 90 7.317 6.286 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.190 4.102 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.054 3.733 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.795 4.703 4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.932 2.399 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.598 3.669 5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.738 1.364 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.077 2.000 4.642 1.00 0.00 H new ATOM 1315 N LYS A 91 9.607 6.601 1.614 1.00 0.00 N ATOM 1316 CA LYS A 91 10.946 6.867 1.103 1.00 0.00 C ATOM 1317 C LYS A 91 11.752 5.575 1.031 1.00 0.00 C ATOM 1318 O LYS A 91 11.960 4.908 2.044 1.00 0.00 O ATOM 1319 CB LYS A 91 11.668 7.885 1.992 1.00 0.00 C ATOM 1320 CG LYS A 91 13.091 8.194 1.546 1.00 0.00 C ATOM 1321 CD LYS A 91 13.125 8.798 0.151 1.00 0.00 C ATOM 1322 CE LYS A 91 14.548 9.108 -0.286 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.396 7.886 -0.316 1.00 0.00 N ATOM 0 H LYS A 91 9.445 6.931 2.566 1.00 0.00 H new ATOM 0 HA LYS A 91 10.854 7.282 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.093 8.811 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.692 7.508 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.552 8.884 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.684 7.279 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.668 8.107 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.531 9.712 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.533 9.564 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.986 9.838 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.980 7.890 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.013 7.871 0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.789 7.042 -0.314 1.00 0.00 H new ATOM 1337 N LEU A 92 12.199 5.224 -0.169 1.00 0.00 N ATOM 1338 CA LEU A 92 12.979 4.007 -0.363 1.00 0.00 C ATOM 1339 C LEU A 92 14.472 4.276 -0.209 1.00 0.00 C ATOM 1340 O LEU A 92 15.016 5.187 -0.832 1.00 0.00 O ATOM 1341 CB LEU A 92 12.693 3.407 -1.741 1.00 0.00 C ATOM 1342 CG LEU A 92 11.234 3.013 -1.981 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.052 2.479 -3.391 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.785 1.978 -0.961 1.00 0.00 C ATOM 0 H LEU A 92 12.036 5.762 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 92 12.682 3.294 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.990 4.127 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.319 2.525 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 92 10.615 3.903 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.008 2.204 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.334 3.248 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.683 1.602 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.745 1.710 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.409 1.089 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.878 2.392 0.043 1.00 0.00 H new ATOM 1356 N LEU A 93 15.127 3.472 0.621 1.00 0.00 N ATOM 1357 CA LEU A 93 16.558 3.617 0.856 1.00 0.00 C ATOM 1358 C LEU A 93 17.334 2.512 0.146 1.00 0.00 C ATOM 1359 O LEU A 93 16.903 1.359 0.118 1.00 0.00 O ATOM 1360 CB LEU A 93 16.854 3.593 2.358 1.00 0.00 C ATOM 1361 CG LEU A 93 16.086 4.624 3.191 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.481 4.523 4.655 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.328 6.035 2.667 1.00 0.00 C ATOM 0 H LEU A 93 14.689 2.713 1.143 1.00 0.00 H new ATOM 0 HA LEU A 93 16.878 4.577 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.627 2.598 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.922 3.754 2.504 1.00 0.00 H new ATOM 0 HG LEU A 93 15.021 4.409 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.927 5.262 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.250 3.524 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.550 4.710 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.772 6.749 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.392 6.265 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.993 6.101 1.632 1.00 0.00 H new ATOM 1375 N LYS A 94 18.476 2.871 -0.433 1.00 0.00 N ATOM 1376 CA LYS A 94 19.308 1.909 -1.148 1.00 0.00 C ATOM 1377 C LYS A 94 19.729 0.762 -0.229 1.00 0.00 C ATOM 1378 O LYS A 94 20.038 0.980 0.943 1.00 0.00 O ATOM 1379 CB LYS A 94 20.545 2.599 -1.729 1.00 0.00 C ATOM 1380 CG LYS A 94 21.440 3.239 -0.680 1.00 0.00 C ATOM 1381 CD LYS A 94 22.673 3.876 -1.307 1.00 0.00 C ATOM 1382 CE LYS A 94 22.304 5.018 -2.240 1.00 0.00 C ATOM 1383 NZ LYS A 94 23.506 5.639 -2.860 1.00 0.00 N ATOM 0 H LYS A 94 18.846 3.821 -0.421 1.00 0.00 H new ATOM 0 HA LYS A 94 18.718 1.495 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.126 1.869 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.224 3.365 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.877 3.996 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.748 2.485 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.331 4.247 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.231 3.121 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.642 4.648 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.749 5.775 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.211 6.413 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.126 6.015 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 24.022 4.923 -3.410 1.00 0.00 H new ATOM 1397 N PRO A 95 19.739 -0.481 -0.749 1.00 0.00 N ATOM 1398 CA PRO A 95 20.116 -1.663 0.037 1.00 0.00 C ATOM 1399 C PRO A 95 21.478 -1.514 0.701 1.00 0.00 C ATOM 1400 O PRO A 95 22.467 -1.179 0.049 1.00 0.00 O ATOM 1401 CB PRO A 95 20.159 -2.785 -1.002 1.00 0.00 C ATOM 1402 CG PRO A 95 19.248 -2.332 -2.088 1.00 0.00 C ATOM 1403 CD PRO A 95 19.376 -0.835 -2.135 1.00 0.00 C ATOM 0 HA PRO A 95 19.417 -1.841 0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.172 -2.941 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.827 -3.732 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.526 -2.778 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.219 -2.630 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.141 -0.519 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.443 -0.361 -2.440 1.00 0.00 H new