USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 LYS NZ :NH3+ -125:sc= -0.0253 (180deg=-0.874) USER MOD Set 1.2: A 66 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.5) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.56 K(o=-0.44,f=-5.4!) USER MOD Set 2.2: A 12 CYS SG : rot 56:sc= 0.343 USER MOD Set 2.3: A 50 HIS : no HD1:sc= -1.34 X(o=-0.44,f=-0.14) USER MOD Set 3.1: A 26 GLN : amide:sc= -0.0026 X(o=-0.0026,f=0.07) USER MOD Set 3.2: A 30 MET CE :methyl 153:sc= 0 (180deg=0) USER MOD Set 4.1: A 15 TYR OH : rot 130:sc= 0.281 USER MOD Set 4.2: A 17 ASN : amide:sc= 0.309 X(o=0.59,f=0.69) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0411 (180deg=-0.253) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.279 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.025) USER MOD Single : A 34 HIS : no HE2:sc= -0.839 K(o=-0.84,f=-3.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.125 F(o=-2.2!,f=-0.12) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0626 K(o=0.063,f=-1.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc=-0.000358 (180deg=-0.0437) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc=-0.00516 (180deg=-0.0915) USER MOD Single : A 71 SER OG : rot 70:sc= 0.909 USER MOD Single : A 78 SER OG : rot 90:sc= 0.765 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 45:sc= 0.747 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.055 -12.655 4.672 1.00 0.00 N ATOM 84 CA LYS A 7 -2.326 -12.188 4.083 1.00 0.00 C ATOM 85 C LYS A 7 -3.504 -13.059 4.569 1.00 0.00 C ATOM 86 O LYS A 7 -4.520 -13.192 3.868 1.00 0.00 O ATOM 87 CB LYS A 7 -2.231 -12.202 2.523 1.00 0.00 C ATOM 88 CG LYS A 7 -2.079 -13.608 1.887 1.00 0.00 C ATOM 89 CD LYS A 7 -2.257 -13.590 0.349 1.00 0.00 C ATOM 90 CE LYS A 7 -2.217 -15.001 -0.271 1.00 0.00 C ATOM 91 NZ LYS A 7 -3.267 -15.891 0.299 1.00 0.00 N ATOM 0 HA LYS A 7 -2.508 -11.164 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.125 -11.731 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.382 -11.589 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.095 -14.008 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.814 -14.282 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.207 -13.116 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.472 -12.979 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.351 -14.927 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.235 -15.444 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.365 -16.738 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.996 -16.175 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.174 -15.383 0.330 1.00 0.00 H new ATOM 105 N ILE A 8 -3.385 -13.602 5.798 1.00 0.00 N ATOM 106 CA ILE A 8 -4.354 -14.584 6.347 1.00 0.00 C ATOM 107 C ILE A 8 -5.783 -14.009 6.389 1.00 0.00 C ATOM 108 O ILE A 8 -6.734 -14.621 5.887 1.00 0.00 O ATOM 109 CB ILE A 8 -3.951 -15.023 7.805 1.00 0.00 C ATOM 110 CG1 ILE A 8 -2.505 -15.602 7.838 1.00 0.00 C ATOM 111 CG2 ILE A 8 -4.968 -16.035 8.396 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.019 -16.005 9.224 1.00 0.00 C ATOM 0 H ILE A 8 -2.622 -13.377 6.437 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.332 -15.447 5.681 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.971 -14.131 8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.460 -16.473 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.820 -14.860 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.658 -16.316 9.403 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.956 -15.577 8.435 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.005 -16.924 7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.004 -16.397 9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.027 -15.134 9.880 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.677 -16.772 9.632 1.00 0.00 H new ATOM 124 N PHE A 9 -5.896 -12.800 6.948 1.00 0.00 N ATOM 125 CA PHE A 9 -7.183 -12.119 7.152 1.00 0.00 C ATOM 126 C PHE A 9 -7.309 -10.936 6.170 1.00 0.00 C ATOM 127 O PHE A 9 -8.123 -10.046 6.383 1.00 0.00 O ATOM 128 CB PHE A 9 -7.307 -11.635 8.629 1.00 0.00 C ATOM 129 CG PHE A 9 -7.059 -12.719 9.685 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.017 -13.696 9.955 1.00 0.00 C ATOM 131 CD2 PHE A 9 -5.863 -12.756 10.408 1.00 0.00 C ATOM 132 CE1 PHE A 9 -7.787 -14.676 10.908 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.635 -13.734 11.359 1.00 0.00 C ATOM 134 CZ PHE A 9 -6.596 -14.691 11.611 1.00 0.00 C ATOM 0 H PHE A 9 -5.094 -12.261 7.274 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.996 -12.818 6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.599 -10.822 8.791 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.305 -11.223 8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.952 -13.689 9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.105 -12.009 10.221 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.538 -15.428 11.102 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.703 -13.748 11.905 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.418 -15.452 12.357 1.00 0.00 H new ATOM 144 N LYS A 10 -6.480 -10.930 5.103 1.00 0.00 N ATOM 145 CA LYS A 10 -6.432 -9.827 4.107 1.00 0.00 C ATOM 146 C LYS A 10 -7.778 -9.680 3.378 1.00 0.00 C ATOM 147 O LYS A 10 -8.298 -8.576 3.206 1.00 0.00 O ATOM 148 CB LYS A 10 -5.294 -10.094 3.087 1.00 0.00 C ATOM 149 CG LYS A 10 -5.046 -8.984 2.038 1.00 0.00 C ATOM 150 CD LYS A 10 -4.682 -7.624 2.677 1.00 0.00 C ATOM 151 CE LYS A 10 -4.408 -6.531 1.630 1.00 0.00 C ATOM 152 NZ LYS A 10 -4.075 -5.228 2.258 1.00 0.00 N ATOM 0 H LYS A 10 -5.825 -11.686 4.905 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.233 -8.894 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.369 -10.256 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.517 -11.021 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.241 -9.294 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.939 -8.864 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.496 -7.303 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.801 -7.747 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.586 -6.844 0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.284 -6.412 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.898 -4.520 1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.870 -4.916 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.224 -5.334 2.846 1.00 0.00 H new ATOM 166 N ASN A 11 -8.341 -10.830 2.989 1.00 0.00 N ATOM 167 CA ASN A 11 -9.653 -10.915 2.318 1.00 0.00 C ATOM 168 C ASN A 11 -10.816 -10.934 3.344 1.00 0.00 C ATOM 169 O ASN A 11 -11.985 -11.113 2.973 1.00 0.00 O ATOM 170 CB ASN A 11 -9.693 -12.183 1.420 1.00 0.00 C ATOM 171 CG ASN A 11 -9.548 -13.505 2.200 1.00 0.00 C ATOM 172 OD1 ASN A 11 -8.857 -13.577 3.221 1.00 0.00 O ATOM 173 ND2 ASN A 11 -10.202 -14.549 1.728 1.00 0.00 N ATOM 0 H ASN A 11 -7.899 -11.738 3.130 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.783 -10.028 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.634 -12.198 0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.894 -12.119 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.145 -15.447 2.209 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.765 -14.458 0.882 1.00 0.00 H new ATOM 180 N CYS A 12 -10.483 -10.744 4.633 1.00 0.00 N ATOM 181 CA CYS A 12 -11.440 -10.802 5.744 1.00 0.00 C ATOM 182 C CYS A 12 -11.475 -9.466 6.525 1.00 0.00 C ATOM 183 O CYS A 12 -10.431 -8.886 6.862 1.00 0.00 O ATOM 184 CB CYS A 12 -11.051 -11.967 6.681 1.00 0.00 C ATOM 185 SG CYS A 12 -10.954 -13.577 5.861 1.00 0.00 S ATOM 0 H CYS A 12 -9.529 -10.544 4.933 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.439 -10.970 5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.086 -11.745 7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.779 -12.027 7.490 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.117 -13.509 4.869 1.00 0.00 H new ATOM 191 N VAL A 13 -12.692 -8.968 6.766 1.00 0.00 N ATOM 192 CA VAL A 13 -12.952 -7.878 7.716 1.00 0.00 C ATOM 193 C VAL A 13 -13.546 -8.506 8.994 1.00 0.00 C ATOM 194 O VAL A 13 -14.508 -9.280 8.900 1.00 0.00 O ATOM 195 CB VAL A 13 -13.954 -6.812 7.136 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.008 -5.558 8.034 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.610 -6.435 5.680 1.00 0.00 C ATOM 0 H VAL A 13 -13.533 -9.313 6.303 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.018 -7.356 7.923 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.944 -7.268 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.708 -4.837 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.338 -5.840 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.016 -5.110 8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.325 -5.697 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.604 -6.016 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.657 -7.325 5.053 1.00 0.00 H new ATOM 207 N ILE A 14 -12.958 -8.207 10.172 1.00 0.00 N ATOM 208 CA ILE A 14 -13.386 -8.798 11.467 1.00 0.00 C ATOM 209 C ILE A 14 -13.895 -7.717 12.468 1.00 0.00 C ATOM 210 O ILE A 14 -13.148 -6.828 12.863 1.00 0.00 O ATOM 211 CB ILE A 14 -12.218 -9.627 12.150 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.779 -10.881 11.303 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.593 -10.053 13.590 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.842 -10.597 10.141 1.00 0.00 C ATOM 0 H ILE A 14 -12.179 -7.555 10.257 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.210 -9.470 11.229 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.361 -8.955 12.196 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.295 -11.595 11.969 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.675 -11.365 10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.771 -10.619 14.028 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.785 -9.166 14.194 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.488 -10.675 13.564 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.605 -11.529 9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.324 -9.912 9.444 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.923 -10.146 10.516 1.00 0.00 H new ATOM 226 N TYR A 15 -15.164 -7.839 12.897 1.00 0.00 N ATOM 227 CA TYR A 15 -15.724 -7.097 14.048 1.00 0.00 C ATOM 228 C TYR A 15 -15.883 -8.076 15.218 1.00 0.00 C ATOM 229 O TYR A 15 -16.523 -9.092 15.072 1.00 0.00 O ATOM 230 CB TYR A 15 -17.097 -6.445 13.681 1.00 0.00 C ATOM 231 CG TYR A 15 -17.939 -5.979 14.891 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.428 -5.083 15.833 1.00 0.00 C ATOM 233 CD2 TYR A 15 -19.236 -6.465 15.106 1.00 0.00 C ATOM 234 CE1 TYR A 15 -18.175 -4.690 16.930 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.981 -6.073 16.202 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.446 -5.187 17.110 1.00 0.00 C ATOM 237 OH TYR A 15 -20.187 -4.798 18.208 1.00 0.00 O ATOM 0 H TYR A 15 -15.839 -8.461 12.452 1.00 0.00 H new ATOM 0 HA TYR A 15 -15.049 -6.288 14.328 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.914 -5.588 13.032 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.681 -7.162 13.105 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.431 -4.689 15.703 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.663 -7.161 14.399 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.761 -3.994 17.644 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.979 -6.460 16.346 1.00 0.00 H new ATOM 0 HH TYR A 15 -21.076 -4.506 17.916 1.00 0.00 H new ATOM 247 N ILE A 16 -15.319 -7.748 16.387 1.00 0.00 N ATOM 248 CA ILE A 16 -15.398 -8.617 17.572 1.00 0.00 C ATOM 249 C ILE A 16 -16.533 -8.121 18.482 1.00 0.00 C ATOM 250 O ILE A 16 -16.442 -7.031 19.060 1.00 0.00 O ATOM 251 CB ILE A 16 -14.022 -8.645 18.328 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.882 -9.048 17.332 1.00 0.00 C ATOM 253 CG2 ILE A 16 -14.063 -9.596 19.558 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.481 -9.019 17.910 1.00 0.00 C ATOM 0 H ILE A 16 -14.800 -6.883 16.540 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.617 -9.640 17.266 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.817 -7.646 18.711 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.084 -10.053 16.961 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.918 -8.378 16.473 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.093 -9.589 20.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.831 -9.258 20.254 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.294 -10.609 19.227 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.765 -9.313 17.143 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.250 -8.011 18.254 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.419 -9.712 18.749 1.00 0.00 H new ATOM 266 N ASN A 17 -17.609 -8.921 18.566 1.00 0.00 N ATOM 267 CA ASN A 17 -18.803 -8.614 19.378 1.00 0.00 C ATOM 268 C ASN A 17 -18.794 -9.473 20.654 1.00 0.00 C ATOM 269 O ASN A 17 -18.652 -10.699 20.578 1.00 0.00 O ATOM 270 CB ASN A 17 -20.093 -8.887 18.553 1.00 0.00 C ATOM 271 CG ASN A 17 -21.387 -8.486 19.280 1.00 0.00 C ATOM 272 OD1 ASN A 17 -22.017 -9.298 19.966 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.784 -7.225 19.147 1.00 0.00 N ATOM 0 H ASN A 17 -17.677 -9.808 18.068 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.787 -7.561 19.659 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.033 -8.343 17.610 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.139 -9.948 18.307 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.630 -6.904 19.618 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.243 -6.578 18.574 1.00 0.00 H new ATOM 280 N GLY A 18 -18.948 -8.817 21.817 1.00 0.00 N ATOM 281 CA GLY A 18 -19.002 -9.507 23.110 1.00 0.00 C ATOM 282 C GLY A 18 -17.620 -9.823 23.683 1.00 0.00 C ATOM 283 O GLY A 18 -16.592 -9.364 23.158 1.00 0.00 O ATOM 0 H GLY A 18 -19.037 -7.803 21.884 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.550 -8.889 23.821 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.562 -10.435 22.996 1.00 0.00 H new ATOM 287 N TYR A 19 -17.603 -10.609 24.773 1.00 0.00 N ATOM 288 CA TYR A 19 -16.369 -11.020 25.463 1.00 0.00 C ATOM 289 C TYR A 19 -15.804 -12.296 24.819 1.00 0.00 C ATOM 290 O TYR A 19 -16.559 -13.230 24.517 1.00 0.00 O ATOM 291 CB TYR A 19 -16.654 -11.250 26.966 1.00 0.00 C ATOM 292 CG TYR A 19 -17.173 -9.999 27.699 1.00 0.00 C ATOM 293 CD1 TYR A 19 -16.293 -8.999 28.134 1.00 0.00 C ATOM 294 CD2 TYR A 19 -18.539 -9.812 27.953 1.00 0.00 C ATOM 295 CE1 TYR A 19 -16.752 -7.873 28.790 1.00 0.00 C ATOM 296 CE2 TYR A 19 -18.996 -8.680 28.610 1.00 0.00 C ATOM 297 CZ TYR A 19 -18.098 -7.717 29.025 1.00 0.00 C ATOM 298 OH TYR A 19 -18.553 -6.589 29.672 1.00 0.00 O ATOM 0 H TYR A 19 -18.451 -10.979 25.203 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.627 -10.227 25.368 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.387 -12.050 27.069 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.740 -11.591 27.452 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.234 -9.111 27.953 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.247 -10.562 27.632 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.055 -7.116 29.118 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.052 -8.552 28.797 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.528 -6.632 29.758 1.00 0.00 H new ATOM 308 N THR A 20 -14.480 -12.315 24.606 1.00 0.00 N ATOM 309 CA THR A 20 -13.755 -13.427 23.964 1.00 0.00 C ATOM 310 C THR A 20 -12.443 -13.683 24.726 1.00 0.00 C ATOM 311 O THR A 20 -11.873 -12.737 25.297 1.00 0.00 O ATOM 312 CB THR A 20 -13.408 -13.077 22.470 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.690 -11.826 22.413 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.660 -12.976 21.578 1.00 0.00 C ATOM 0 H THR A 20 -13.870 -11.545 24.879 1.00 0.00 H new ATOM 0 HA THR A 20 -14.390 -14.312 23.985 1.00 0.00 H new ATOM 0 HB THR A 20 -12.792 -13.892 22.090 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.743 -11.983 22.611 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.362 -12.733 20.558 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.189 -13.929 21.584 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.317 -12.195 21.960 1.00 0.00 H new ATOM 322 N LYS A 21 -11.971 -14.954 24.766 1.00 0.00 N ATOM 323 CA LYS A 21 -10.588 -15.268 25.191 1.00 0.00 C ATOM 324 C LYS A 21 -9.740 -15.638 23.947 1.00 0.00 C ATOM 325 O LYS A 21 -10.072 -16.587 23.236 1.00 0.00 O ATOM 326 CB LYS A 21 -10.481 -16.410 26.229 1.00 0.00 C ATOM 327 CG LYS A 21 -11.300 -16.251 27.542 1.00 0.00 C ATOM 328 CD LYS A 21 -10.727 -15.228 28.568 1.00 0.00 C ATOM 329 CE LYS A 21 -11.035 -13.755 28.247 1.00 0.00 C ATOM 330 NZ LYS A 21 -10.378 -12.836 29.200 1.00 0.00 N ATOM 0 H LYS A 21 -12.525 -15.771 24.511 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.214 -14.370 25.683 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.792 -17.337 25.746 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.431 -16.527 26.497 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.315 -15.950 27.283 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.370 -17.225 28.026 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.126 -15.462 29.555 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.646 -15.356 28.623 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.703 -13.527 27.234 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.113 -13.595 28.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.610 -11.853 28.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.714 -13.037 30.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.348 -12.970 29.158 1.00 0.00 H new ATOM 344 N PRO A 22 -8.636 -14.891 23.663 1.00 0.00 N ATOM 345 CA PRO A 22 -8.207 -13.719 24.456 1.00 0.00 C ATOM 346 C PRO A 22 -8.954 -12.432 24.010 1.00 0.00 C ATOM 347 O PRO A 22 -9.735 -12.473 23.047 1.00 0.00 O ATOM 348 CB PRO A 22 -6.699 -13.686 24.171 1.00 0.00 C ATOM 349 CG PRO A 22 -6.602 -14.090 22.727 1.00 0.00 C ATOM 350 CD PRO A 22 -7.709 -15.120 22.518 1.00 0.00 C ATOM 0 HA PRO A 22 -8.430 -13.780 25.521 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.281 -12.693 24.338 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.154 -14.374 24.817 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.735 -13.231 22.069 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.623 -14.514 22.503 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.212 -14.976 21.562 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.314 -16.136 22.521 1.00 0.00 H new ATOM 358 N GLY A 23 -8.726 -11.321 24.738 1.00 0.00 N ATOM 359 CA GLY A 23 -9.489 -10.075 24.570 1.00 0.00 C ATOM 360 C GLY A 23 -9.502 -9.521 23.143 1.00 0.00 C ATOM 361 O GLY A 23 -8.581 -9.789 22.362 1.00 0.00 O ATOM 0 H GLY A 23 -8.006 -11.265 25.459 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.517 -10.249 24.887 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.074 -9.318 25.235 1.00 0.00 H new ATOM 365 N ARG A 24 -10.554 -8.731 22.835 1.00 0.00 N ATOM 366 CA ARG A 24 -10.764 -8.062 21.523 1.00 0.00 C ATOM 367 C ARG A 24 -9.506 -7.321 21.023 1.00 0.00 C ATOM 368 O ARG A 24 -9.226 -7.304 19.826 1.00 0.00 O ATOM 369 CB ARG A 24 -11.963 -7.074 21.630 1.00 0.00 C ATOM 370 CG ARG A 24 -11.778 -5.976 22.708 1.00 0.00 C ATOM 371 CD ARG A 24 -12.958 -4.998 22.819 1.00 0.00 C ATOM 372 NE ARG A 24 -12.649 -3.898 23.761 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.515 -2.976 24.189 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.794 -3.027 23.852 1.00 0.00 N ATOM 375 NH2 ARG A 24 -13.094 -2.007 24.980 1.00 0.00 N ATOM 0 H ARG A 24 -11.299 -8.534 23.503 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.982 -8.839 20.790 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.115 -6.597 20.662 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.868 -7.639 21.853 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.625 -6.454 23.675 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.873 -5.412 22.484 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.187 -4.586 21.836 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.847 -5.532 23.156 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.693 -3.840 24.113 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.134 -3.781 23.255 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.439 -2.313 24.190 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.114 -1.967 25.260 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.749 -1.299 25.312 1.00 0.00 H new ATOM 389 N LEU A 25 -8.779 -6.716 21.971 1.00 0.00 N ATOM 390 CA LEU A 25 -7.537 -5.973 21.705 1.00 0.00 C ATOM 391 C LEU A 25 -6.436 -6.898 21.132 1.00 0.00 C ATOM 392 O LEU A 25 -5.805 -6.561 20.131 1.00 0.00 O ATOM 393 CB LEU A 25 -7.093 -5.214 23.004 1.00 0.00 C ATOM 394 CG LEU A 25 -7.125 -6.015 24.371 1.00 0.00 C ATOM 395 CD1 LEU A 25 -5.850 -6.849 24.614 1.00 0.00 C ATOM 396 CD2 LEU A 25 -7.408 -5.084 25.575 1.00 0.00 C ATOM 0 H LEU A 25 -9.039 -6.728 22.957 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.719 -5.225 20.933 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.076 -4.853 22.851 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.730 -4.336 23.114 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.951 -6.720 24.281 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.934 -7.373 25.566 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.731 -7.575 23.809 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.983 -6.189 24.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.422 -5.671 26.493 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.627 -4.326 25.640 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.374 -4.598 25.440 1.00 0.00 H new ATOM 408 N GLN A 26 -6.278 -8.089 21.737 1.00 0.00 N ATOM 409 CA GLN A 26 -5.220 -9.060 21.374 1.00 0.00 C ATOM 410 C GLN A 26 -5.525 -9.706 20.016 1.00 0.00 C ATOM 411 O GLN A 26 -4.647 -9.806 19.157 1.00 0.00 O ATOM 412 CB GLN A 26 -5.081 -10.145 22.480 1.00 0.00 C ATOM 413 CG GLN A 26 -4.018 -11.232 22.208 1.00 0.00 C ATOM 414 CD GLN A 26 -2.592 -10.685 22.070 1.00 0.00 C ATOM 415 OE1 GLN A 26 -2.145 -10.348 20.978 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.874 -10.583 23.183 1.00 0.00 N ATOM 0 H GLN A 26 -6.881 -8.410 22.495 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.272 -8.527 21.292 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.840 -9.652 23.422 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.048 -10.631 22.613 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.041 -11.960 23.019 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.282 -11.765 21.294 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.274 -10.872 24.076 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.923 -10.216 23.145 1.00 0.00 H new ATOM 425 N LEU A 27 -6.792 -10.128 19.837 1.00 0.00 N ATOM 426 CA LEU A 27 -7.280 -10.703 18.568 1.00 0.00 C ATOM 427 C LEU A 27 -7.085 -9.714 17.400 1.00 0.00 C ATOM 428 O LEU A 27 -6.583 -10.095 16.351 1.00 0.00 O ATOM 429 CB LEU A 27 -8.772 -11.081 18.686 1.00 0.00 C ATOM 430 CG LEU A 27 -9.124 -12.233 19.669 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.654 -12.348 19.852 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.518 -13.574 19.192 1.00 0.00 C ATOM 0 H LEU A 27 -7.504 -10.080 20.566 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.697 -11.601 18.363 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.325 -10.193 18.991 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.133 -11.357 17.695 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.685 -11.997 20.638 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.878 -13.160 20.544 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.044 -11.412 20.253 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.121 -12.553 18.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.779 -14.363 19.897 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.914 -13.822 18.207 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.433 -13.483 19.135 1.00 0.00 H new ATOM 444 N HIS A 28 -7.468 -8.436 17.623 1.00 0.00 N ATOM 445 CA HIS A 28 -7.320 -7.359 16.612 1.00 0.00 C ATOM 446 C HIS A 28 -5.842 -7.146 16.222 1.00 0.00 C ATOM 447 O HIS A 28 -5.546 -6.889 15.054 1.00 0.00 O ATOM 448 CB HIS A 28 -7.970 -6.030 17.102 1.00 0.00 C ATOM 449 CG HIS A 28 -9.462 -5.933 16.879 1.00 0.00 C ATOM 450 ND1 HIS A 28 -10.318 -5.278 17.742 1.00 0.00 N ATOM 451 CD2 HIS A 28 -10.233 -6.356 15.850 1.00 0.00 C ATOM 452 CE1 HIS A 28 -11.544 -5.305 17.253 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.523 -5.951 16.103 1.00 0.00 N ATOM 0 H HIS A 28 -7.885 -8.122 18.500 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.852 -7.679 15.716 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.768 -5.914 18.167 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.486 -5.196 16.593 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.896 -6.911 14.987 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.418 -4.871 17.717 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.329 -6.122 15.502 1.00 0.00 H new ATOM 462 N GLU A 29 -4.925 -7.281 17.200 1.00 0.00 N ATOM 463 CA GLU A 29 -3.464 -7.231 16.943 1.00 0.00 C ATOM 464 C GLU A 29 -3.036 -8.412 16.042 1.00 0.00 C ATOM 465 O GLU A 29 -2.342 -8.222 15.047 1.00 0.00 O ATOM 466 CB GLU A 29 -2.667 -7.251 18.276 1.00 0.00 C ATOM 467 CG GLU A 29 -2.847 -5.997 19.153 1.00 0.00 C ATOM 468 CD GLU A 29 -2.180 -6.129 20.536 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.942 -5.984 20.624 1.00 0.00 O ATOM 470 OE2 GLU A 29 -2.888 -6.376 21.540 1.00 0.00 O ATOM 0 H GLU A 29 -5.167 -7.426 18.180 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.240 -6.298 16.426 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.969 -8.126 18.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.608 -7.369 18.048 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.428 -5.135 18.635 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.911 -5.803 19.286 1.00 0.00 H new ATOM 477 N MET A 30 -3.518 -9.615 16.381 1.00 0.00 N ATOM 478 CA MET A 30 -3.223 -10.861 15.632 1.00 0.00 C ATOM 479 C MET A 30 -3.700 -10.779 14.166 1.00 0.00 C ATOM 480 O MET A 30 -3.071 -11.340 13.265 1.00 0.00 O ATOM 481 CB MET A 30 -3.888 -12.068 16.342 1.00 0.00 C ATOM 482 CG MET A 30 -3.290 -12.406 17.707 1.00 0.00 C ATOM 483 SD MET A 30 -1.544 -12.863 17.590 1.00 0.00 S ATOM 484 CE MET A 30 -1.138 -13.161 19.309 1.00 0.00 C ATOM 0 H MET A 30 -4.128 -9.760 17.186 1.00 0.00 H new ATOM 0 HA MET A 30 -2.141 -10.993 15.617 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.951 -11.860 16.466 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.807 -12.943 15.697 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.396 -11.548 18.371 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.850 -13.227 18.155 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.316 -13.875 19.370 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.841 -12.224 19.780 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.009 -13.566 19.824 1.00 0.00 H new ATOM 494 N ILE A 31 -4.817 -10.073 13.955 1.00 0.00 N ATOM 495 CA ILE A 31 -5.401 -9.851 12.617 1.00 0.00 C ATOM 496 C ILE A 31 -4.509 -8.931 11.754 1.00 0.00 C ATOM 497 O ILE A 31 -4.117 -9.303 10.641 1.00 0.00 O ATOM 498 CB ILE A 31 -6.860 -9.263 12.771 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.787 -10.310 13.477 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.467 -8.814 11.414 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.085 -9.745 14.025 1.00 0.00 C ATOM 0 H ILE A 31 -5.348 -9.635 14.708 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.459 -10.807 12.097 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.789 -8.369 13.391 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.023 -11.102 12.767 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.234 -10.771 14.295 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.469 -8.418 11.577 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.839 -8.040 10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.519 -9.668 10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.660 -10.543 14.495 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.863 -8.974 14.763 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.665 -9.311 13.211 1.00 0.00 H new ATOM 513 N VAL A 32 -4.136 -7.775 12.315 1.00 0.00 N ATOM 514 CA VAL A 32 -3.424 -6.711 11.573 1.00 0.00 C ATOM 515 C VAL A 32 -1.952 -7.094 11.292 1.00 0.00 C ATOM 516 O VAL A 32 -1.445 -6.861 10.190 1.00 0.00 O ATOM 517 CB VAL A 32 -3.506 -5.345 12.341 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.759 -4.229 11.577 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.981 -4.946 12.593 1.00 0.00 C ATOM 0 H VAL A 32 -4.315 -7.545 13.292 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.922 -6.597 10.610 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.016 -5.474 13.306 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.833 -3.295 12.133 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.710 -4.503 11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.206 -4.101 10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.015 -3.996 13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.499 -4.845 11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.469 -5.716 13.191 1.00 0.00 H new ATOM 529 N LEU A 33 -1.293 -7.716 12.287 1.00 0.00 N ATOM 530 CA LEU A 33 0.109 -8.188 12.168 1.00 0.00 C ATOM 531 C LEU A 33 0.240 -9.350 11.148 1.00 0.00 C ATOM 532 O LEU A 33 1.343 -9.679 10.719 1.00 0.00 O ATOM 533 CB LEU A 33 0.673 -8.599 13.572 1.00 0.00 C ATOM 534 CG LEU A 33 1.267 -7.449 14.461 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.458 -6.767 13.764 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.199 -6.412 14.872 1.00 0.00 C ATOM 0 H LEU A 33 -1.712 -7.908 13.197 1.00 0.00 H new ATOM 0 HA LEU A 33 0.707 -7.360 11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.128 -9.082 14.132 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.451 -9.347 13.420 1.00 0.00 H new ATOM 0 HG LEU A 33 1.628 -7.915 15.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.849 -5.975 14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.241 -7.503 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.129 -6.340 12.817 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.660 -5.638 15.485 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.231 -5.959 13.979 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.587 -6.906 15.442 1.00 0.00 H new ATOM 548 N HIS A 34 -0.896 -9.973 10.787 1.00 0.00 N ATOM 549 CA HIS A 34 -0.965 -11.020 9.737 1.00 0.00 C ATOM 550 C HIS A 34 -1.695 -10.481 8.486 1.00 0.00 C ATOM 551 O HIS A 34 -2.290 -11.245 7.706 1.00 0.00 O ATOM 552 CB HIS A 34 -1.605 -12.296 10.324 1.00 0.00 C ATOM 553 CG HIS A 34 -0.736 -12.922 11.388 1.00 0.00 C ATOM 554 ND1 HIS A 34 -0.535 -12.336 12.621 1.00 0.00 N ATOM 555 CD2 HIS A 34 0.069 -14.013 11.361 1.00 0.00 C ATOM 556 CE1 HIS A 34 0.344 -13.036 13.307 1.00 0.00 C ATOM 557 NE2 HIS A 34 0.724 -14.062 12.565 1.00 0.00 N ATOM 0 H HIS A 34 -1.799 -9.768 11.214 1.00 0.00 H new ATOM 0 HA HIS A 34 0.037 -11.291 9.405 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.579 -12.052 10.748 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.777 -13.017 9.525 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.997 -11.489 12.951 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.175 -14.712 10.545 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.694 -12.811 14.304 1.00 0.00 H new ATOM 566 N GLY A 35 -1.619 -9.138 8.324 1.00 0.00 N ATOM 567 CA GLY A 35 -2.050 -8.437 7.110 1.00 0.00 C ATOM 568 C GLY A 35 -3.551 -8.438 6.897 1.00 0.00 C ATOM 569 O GLY A 35 -4.009 -8.561 5.762 1.00 0.00 O ATOM 0 H GLY A 35 -1.253 -8.514 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.701 -7.406 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.571 -8.899 6.247 1.00 0.00 H new ATOM 573 N GLY A 36 -4.314 -8.279 7.985 1.00 0.00 N ATOM 574 CA GLY A 36 -5.777 -8.396 7.943 1.00 0.00 C ATOM 575 C GLY A 36 -6.521 -7.114 8.272 1.00 0.00 C ATOM 576 O GLY A 36 -5.960 -6.205 8.903 1.00 0.00 O ATOM 0 H GLY A 36 -3.940 -8.068 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.074 -8.728 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.087 -9.171 8.644 1.00 0.00 H new ATOM 580 N LYS A 37 -7.817 -7.058 7.875 1.00 0.00 N ATOM 581 CA LYS A 37 -8.677 -5.883 8.109 1.00 0.00 C ATOM 582 C LYS A 37 -9.685 -6.177 9.236 1.00 0.00 C ATOM 583 O LYS A 37 -10.093 -7.326 9.436 1.00 0.00 O ATOM 584 CB LYS A 37 -9.412 -5.478 6.796 1.00 0.00 C ATOM 585 CG LYS A 37 -10.324 -4.236 6.946 1.00 0.00 C ATOM 586 CD LYS A 37 -10.948 -3.761 5.619 1.00 0.00 C ATOM 587 CE LYS A 37 -11.908 -2.569 5.822 1.00 0.00 C ATOM 588 NZ LYS A 37 -12.472 -2.076 4.543 1.00 0.00 N ATOM 0 H LYS A 37 -8.287 -7.821 7.388 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.052 -5.046 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.670 -5.281 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.014 -6.320 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.123 -4.466 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.744 -3.420 7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.155 -3.474 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.489 -4.587 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.721 -2.869 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.376 -1.758 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.110 -1.276 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.700 -1.764 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.003 -2.841 4.080 1.00 0.00 H new ATOM 602 N PHE A 38 -10.079 -5.121 9.971 1.00 0.00 N ATOM 603 CA PHE A 38 -11.073 -5.212 11.047 1.00 0.00 C ATOM 604 C PHE A 38 -11.983 -3.967 11.053 1.00 0.00 C ATOM 605 O PHE A 38 -11.665 -2.950 10.424 1.00 0.00 O ATOM 606 CB PHE A 38 -10.367 -5.390 12.424 1.00 0.00 C ATOM 607 CG PHE A 38 -9.663 -4.145 12.974 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.408 -3.763 12.512 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.260 -3.361 13.970 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.774 -2.641 13.015 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.626 -2.240 14.472 1.00 0.00 C ATOM 612 CZ PHE A 38 -8.382 -1.884 13.996 1.00 0.00 C ATOM 0 H PHE A 38 -9.713 -4.179 9.832 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.699 -6.086 10.868 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.109 -5.717 13.153 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.633 -6.191 12.335 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.921 -4.351 11.749 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.232 -3.637 14.352 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.802 -2.357 12.640 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.104 -1.644 15.235 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.883 -1.012 14.391 1.00 0.00 H new ATOM 622 N LEU A 39 -13.119 -4.074 11.772 1.00 0.00 N ATOM 623 CA LEU A 39 -13.987 -2.931 12.105 1.00 0.00 C ATOM 624 C LEU A 39 -14.186 -2.860 13.624 1.00 0.00 C ATOM 625 O LEU A 39 -14.202 -3.890 14.316 1.00 0.00 O ATOM 626 CB LEU A 39 -15.365 -3.002 11.381 1.00 0.00 C ATOM 627 CG LEU A 39 -15.350 -2.750 9.838 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.768 -2.821 9.247 1.00 0.00 C ATOM 629 CD2 LEU A 39 -14.668 -1.411 9.482 1.00 0.00 C ATOM 0 H LEU A 39 -13.460 -4.962 12.139 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.491 -2.026 11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.797 -3.986 11.563 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.031 -2.272 11.841 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.758 -3.547 9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.724 -2.642 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.191 -3.808 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.396 -2.063 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.678 -1.274 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.206 -0.591 9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.637 -1.422 9.837 1.00 0.00 H new ATOM 641 N HIS A 40 -14.314 -1.618 14.115 1.00 0.00 N ATOM 642 CA HIS A 40 -14.598 -1.306 15.528 1.00 0.00 C ATOM 643 C HIS A 40 -16.072 -1.611 15.896 1.00 0.00 C ATOM 644 O HIS A 40 -16.362 -2.045 17.014 1.00 0.00 O ATOM 645 CB HIS A 40 -14.223 0.180 15.833 1.00 0.00 C ATOM 646 CG HIS A 40 -14.724 1.240 14.857 1.00 0.00 C ATOM 647 ND1 HIS A 40 -15.705 1.242 13.903 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -14.188 2.511 14.832 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -15.729 2.496 13.347 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -14.805 3.240 13.925 1.00 0.00 N flip ATOM 0 H HIS A 40 -14.222 -0.786 13.532 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.981 -1.951 16.153 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.602 0.427 16.824 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.136 0.251 15.881 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.382 2.857 15.462 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.396 2.822 12.563 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.603 4.215 13.706 1.00 0.00 H new ATOM 659 N TYR A 41 -16.973 -1.375 14.926 1.00 0.00 N ATOM 660 CA TYR A 41 -18.432 -1.598 15.035 1.00 0.00 C ATOM 661 C TYR A 41 -19.085 -1.310 13.676 1.00 0.00 C ATOM 662 O TYR A 41 -18.407 -0.879 12.732 1.00 0.00 O ATOM 663 CB TYR A 41 -19.103 -0.742 16.170 1.00 0.00 C ATOM 664 CG TYR A 41 -18.989 0.792 16.010 1.00 0.00 C ATOM 665 CD1 TYR A 41 -19.932 1.527 15.278 1.00 0.00 C ATOM 666 CD2 TYR A 41 -17.935 1.504 16.592 1.00 0.00 C ATOM 667 CE1 TYR A 41 -19.821 2.897 15.129 1.00 0.00 C ATOM 668 CE2 TYR A 41 -17.824 2.877 16.441 1.00 0.00 C ATOM 669 CZ TYR A 41 -18.770 3.566 15.713 1.00 0.00 C ATOM 670 OH TYR A 41 -18.656 4.931 15.558 1.00 0.00 O ATOM 0 H TYR A 41 -16.700 -1.012 14.013 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.590 -2.640 15.315 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.159 -1.006 16.222 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.657 -1.023 17.124 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -20.764 1.012 14.820 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.193 0.973 17.170 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -20.557 3.441 14.556 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.998 3.406 16.893 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.860 5.249 16.033 1.00 0.00 H new ATOM 743 N LYS A 46 -23.754 -2.545 5.631 1.00 0.00 N ATOM 744 CA LYS A 46 -23.233 -3.928 5.606 1.00 0.00 C ATOM 745 C LYS A 46 -21.805 -3.921 5.016 1.00 0.00 C ATOM 746 O LYS A 46 -21.630 -3.846 3.794 1.00 0.00 O ATOM 747 CB LYS A 46 -24.185 -4.827 4.757 1.00 0.00 C ATOM 748 CG LYS A 46 -25.679 -4.744 5.161 1.00 0.00 C ATOM 749 CD LYS A 46 -25.963 -5.308 6.574 1.00 0.00 C ATOM 750 CE LYS A 46 -25.838 -6.837 6.639 1.00 0.00 C ATOM 751 NZ LYS A 46 -26.863 -7.500 5.794 1.00 0.00 N ATOM 0 HA LYS A 46 -23.190 -4.333 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -24.089 -4.546 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.856 -5.863 4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.002 -3.704 5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -26.276 -5.291 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.269 -4.860 7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -26.967 -5.016 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -24.843 -7.137 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -25.945 -7.169 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -27.407 -8.173 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.506 -6.783 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -26.396 -8.009 5.017 1.00 0.00 H new ATOM 765 N THR A 47 -20.788 -3.927 5.902 1.00 0.00 N ATOM 766 CA THR A 47 -19.367 -3.744 5.513 1.00 0.00 C ATOM 767 C THR A 47 -18.466 -4.897 6.008 1.00 0.00 C ATOM 768 O THR A 47 -17.530 -5.305 5.304 1.00 0.00 O ATOM 769 CB THR A 47 -18.841 -2.361 6.041 1.00 0.00 C ATOM 770 OG1 THR A 47 -19.314 -2.146 7.379 1.00 0.00 O ATOM 771 CG2 THR A 47 -19.292 -1.182 5.154 1.00 0.00 C ATOM 0 H THR A 47 -20.924 -4.058 6.904 1.00 0.00 H new ATOM 0 HA THR A 47 -19.321 -3.757 4.424 1.00 0.00 H new ATOM 0 HB THR A 47 -17.752 -2.399 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 47 -18.984 -1.284 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.902 -0.250 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 47 -18.912 -1.322 4.142 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.381 -1.140 5.130 1.00 0.00 H new ATOM 779 N VAL A 48 -18.728 -5.412 7.225 1.00 0.00 N ATOM 780 CA VAL A 48 -17.928 -6.521 7.798 1.00 0.00 C ATOM 781 C VAL A 48 -18.426 -7.880 7.254 1.00 0.00 C ATOM 782 O VAL A 48 -19.590 -7.998 6.856 1.00 0.00 O ATOM 783 CB VAL A 48 -17.948 -6.495 9.380 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.288 -6.976 9.974 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.771 -7.285 9.984 1.00 0.00 C ATOM 0 H VAL A 48 -19.481 -5.083 7.829 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.892 -6.385 7.488 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.833 -5.447 9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.239 -6.935 11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.094 -6.332 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.479 -8.001 9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.823 -7.241 11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.826 -8.324 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.830 -6.849 9.648 1.00 0.00 H new ATOM 795 N THR A 49 -17.535 -8.886 7.196 1.00 0.00 N ATOM 796 CA THR A 49 -17.889 -10.245 6.727 1.00 0.00 C ATOM 797 C THR A 49 -17.769 -11.282 7.859 1.00 0.00 C ATOM 798 O THR A 49 -18.417 -12.322 7.803 1.00 0.00 O ATOM 799 CB THR A 49 -17.028 -10.680 5.489 1.00 0.00 C ATOM 800 OG1 THR A 49 -17.277 -12.054 5.154 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.524 -10.478 5.715 1.00 0.00 C ATOM 0 H THR A 49 -16.557 -8.786 7.469 1.00 0.00 H new ATOM 0 HA THR A 49 -18.931 -10.206 6.410 1.00 0.00 H new ATOM 0 HB THR A 49 -17.331 -10.036 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.732 -12.306 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.977 -10.795 4.827 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.323 -9.424 5.908 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.202 -11.071 6.571 1.00 0.00 H new ATOM 809 N HIS A 50 -16.946 -11.001 8.885 1.00 0.00 N ATOM 810 CA HIS A 50 -16.711 -11.941 10.004 1.00 0.00 C ATOM 811 C HIS A 50 -16.913 -11.235 11.344 1.00 0.00 C ATOM 812 O HIS A 50 -16.369 -10.159 11.559 1.00 0.00 O ATOM 813 CB HIS A 50 -15.285 -12.553 9.943 1.00 0.00 C ATOM 814 CG HIS A 50 -15.045 -13.442 8.753 1.00 0.00 C ATOM 815 ND1 HIS A 50 -15.598 -14.696 8.636 1.00 0.00 N ATOM 816 CD2 HIS A 50 -14.324 -13.251 7.625 1.00 0.00 C ATOM 817 CE1 HIS A 50 -15.223 -15.235 7.493 1.00 0.00 C ATOM 818 NE2 HIS A 50 -14.451 -14.380 6.858 1.00 0.00 N ATOM 0 H HIS A 50 -16.428 -10.126 8.965 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.434 -12.751 9.910 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.555 -11.744 9.931 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.109 -13.127 10.853 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.752 -12.370 7.374 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.503 -16.215 7.137 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.019 -14.532 5.947 1.00 0.00 H new ATOM 827 N ILE A 51 -17.708 -11.847 12.237 1.00 0.00 N ATOM 828 CA ILE A 51 -17.906 -11.357 13.612 1.00 0.00 C ATOM 829 C ILE A 51 -17.383 -12.403 14.599 1.00 0.00 C ATOM 830 O ILE A 51 -17.633 -13.578 14.425 1.00 0.00 O ATOM 831 CB ILE A 51 -19.414 -10.991 13.895 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.829 -9.747 13.035 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.682 -10.754 15.408 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.205 -9.183 13.339 1.00 0.00 C ATOM 0 H ILE A 51 -18.232 -12.696 12.026 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.341 -10.434 13.740 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.032 -11.840 13.603 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.090 -8.960 13.183 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.792 -10.025 11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.733 -10.505 15.557 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.441 -11.659 15.966 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.060 -9.932 15.763 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.398 -8.327 12.693 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.960 -9.949 13.161 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.247 -8.868 14.382 1.00 0.00 H new ATOM 846 N VAL A 52 -16.633 -11.965 15.618 1.00 0.00 N ATOM 847 CA VAL A 52 -16.006 -12.864 16.602 1.00 0.00 C ATOM 848 C VAL A 52 -16.701 -12.755 17.966 1.00 0.00 C ATOM 849 O VAL A 52 -16.750 -11.681 18.562 1.00 0.00 O ATOM 850 CB VAL A 52 -14.476 -12.551 16.739 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.795 -13.394 17.845 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.776 -12.754 15.383 1.00 0.00 C ATOM 0 H VAL A 52 -16.442 -10.977 15.786 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.119 -13.887 16.244 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.379 -11.508 17.041 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.737 -13.138 17.898 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.267 -13.185 18.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.901 -14.454 17.612 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.713 -12.535 15.486 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.904 -13.787 15.059 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.215 -12.084 14.643 1.00 0.00 H new ATOM 862 N ALA A 53 -17.222 -13.895 18.432 1.00 0.00 N ATOM 863 CA ALA A 53 -17.798 -14.059 19.773 1.00 0.00 C ATOM 864 C ALA A 53 -17.312 -15.396 20.356 1.00 0.00 C ATOM 865 O ALA A 53 -17.012 -16.323 19.598 1.00 0.00 O ATOM 866 CB ALA A 53 -19.335 -14.015 19.706 1.00 0.00 C ATOM 0 H ALA A 53 -17.256 -14.749 17.876 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.473 -13.243 20.419 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.747 -14.138 20.708 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.654 -13.056 19.298 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.694 -14.820 19.065 1.00 0.00 H new ATOM 872 N SER A 54 -17.196 -15.490 21.694 1.00 0.00 N ATOM 873 CA SER A 54 -16.889 -16.770 22.367 1.00 0.00 C ATOM 874 C SER A 54 -18.156 -17.655 22.408 1.00 0.00 C ATOM 875 O SER A 54 -18.072 -18.888 22.344 1.00 0.00 O ATOM 876 CB SER A 54 -16.329 -16.523 23.784 1.00 0.00 C ATOM 877 OG SER A 54 -15.997 -17.743 24.442 1.00 0.00 O ATOM 0 H SER A 54 -17.309 -14.700 22.329 1.00 0.00 H new ATOM 0 HA SER A 54 -16.120 -17.295 21.801 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.443 -15.892 23.720 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.065 -15.979 24.376 1.00 0.00 H new ATOM 0 HG SER A 54 -15.644 -17.547 25.335 1.00 0.00 H new ATOM 883 N ASN A 55 -19.318 -16.990 22.525 1.00 0.00 N ATOM 884 CA ASN A 55 -20.645 -17.607 22.381 1.00 0.00 C ATOM 885 C ASN A 55 -21.670 -16.493 22.110 1.00 0.00 C ATOM 886 O ASN A 55 -21.941 -15.667 22.986 1.00 0.00 O ATOM 887 CB ASN A 55 -21.042 -18.432 23.645 1.00 0.00 C ATOM 888 CG ASN A 55 -22.430 -19.085 23.555 1.00 0.00 C ATOM 889 OD1 ASN A 55 -22.914 -19.417 22.467 1.00 0.00 O ATOM 890 ND2 ASN A 55 -23.083 -19.259 24.699 1.00 0.00 N ATOM 0 H ASN A 55 -19.361 -15.991 22.726 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.624 -18.309 21.547 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -20.296 -19.210 23.808 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.016 -17.778 24.516 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -24.013 -19.678 24.697 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.654 -18.974 25.579 1.00 0.00 H new ATOM 897 N LEU A 56 -22.217 -16.469 20.888 1.00 0.00 N ATOM 898 CA LEU A 56 -23.197 -15.454 20.462 1.00 0.00 C ATOM 899 C LEU A 56 -24.622 -15.896 20.887 1.00 0.00 C ATOM 900 O LEU A 56 -24.945 -17.077 20.735 1.00 0.00 O ATOM 901 CB LEU A 56 -23.109 -15.261 18.917 1.00 0.00 C ATOM 902 CG LEU A 56 -23.771 -13.960 18.362 1.00 0.00 C ATOM 903 CD1 LEU A 56 -23.005 -12.692 18.824 1.00 0.00 C ATOM 904 CD2 LEU A 56 -23.907 -13.998 16.829 1.00 0.00 C ATOM 0 H LEU A 56 -21.994 -17.152 20.164 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.976 -14.501 20.942 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.058 -15.265 18.627 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.576 -16.120 18.434 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.777 -13.911 18.778 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -23.493 -11.805 18.420 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.006 -12.643 19.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -21.977 -12.737 18.464 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.372 -13.075 16.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.920 -14.099 16.379 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.526 -14.847 16.540 1.00 0.00 H new ATOM 916 N PRO A 57 -25.473 -14.974 21.470 1.00 0.00 N ATOM 917 CA PRO A 57 -26.909 -15.266 21.779 1.00 0.00 C ATOM 918 C PRO A 57 -27.716 -15.664 20.524 1.00 0.00 C ATOM 919 O PRO A 57 -27.373 -15.238 19.418 1.00 0.00 O ATOM 920 CB PRO A 57 -27.435 -13.930 22.384 1.00 0.00 C ATOM 921 CG PRO A 57 -26.206 -13.231 22.881 1.00 0.00 C ATOM 922 CD PRO A 57 -25.102 -13.601 21.913 1.00 0.00 C ATOM 0 HA PRO A 57 -27.015 -16.116 22.453 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -27.955 -13.333 21.635 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -28.142 -14.112 23.193 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -26.355 -12.152 22.911 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -25.959 -13.547 23.895 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.055 -12.907 21.073 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.124 -13.585 22.394 1.00 0.00 H new ATOM 930 N LEU A 58 -28.799 -16.447 20.716 1.00 0.00 N ATOM 931 CA LEU A 58 -29.589 -17.031 19.602 1.00 0.00 C ATOM 932 C LEU A 58 -30.200 -15.946 18.692 1.00 0.00 C ATOM 933 O LEU A 58 -30.124 -16.040 17.458 1.00 0.00 O ATOM 934 CB LEU A 58 -30.706 -17.960 20.148 1.00 0.00 C ATOM 935 CG LEU A 58 -30.237 -19.197 20.979 1.00 0.00 C ATOM 936 CD1 LEU A 58 -31.443 -20.046 21.446 1.00 0.00 C ATOM 937 CD2 LEU A 58 -29.208 -20.053 20.197 1.00 0.00 C ATOM 0 H LEU A 58 -29.152 -16.693 21.641 1.00 0.00 H new ATOM 0 HA LEU A 58 -28.899 -17.620 18.997 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.373 -17.363 20.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.295 -18.319 19.304 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.733 -18.822 21.870 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.086 -20.900 22.022 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.098 -19.436 22.069 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -31.997 -20.401 20.577 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.905 -20.904 20.807 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -29.661 -20.412 19.273 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.334 -19.446 19.961 1.00 0.00 H new ATOM 949 N LYS A 59 -30.797 -14.907 19.314 1.00 0.00 N ATOM 950 CA LYS A 59 -31.392 -13.782 18.569 1.00 0.00 C ATOM 951 C LYS A 59 -30.301 -12.982 17.830 1.00 0.00 C ATOM 952 O LYS A 59 -30.529 -12.530 16.713 1.00 0.00 O ATOM 953 CB LYS A 59 -32.225 -12.846 19.493 1.00 0.00 C ATOM 954 CG LYS A 59 -33.500 -13.479 20.099 1.00 0.00 C ATOM 955 CD LYS A 59 -34.514 -13.972 19.034 1.00 0.00 C ATOM 956 CE LYS A 59 -35.009 -12.859 18.085 1.00 0.00 C ATOM 957 NZ LYS A 59 -35.668 -11.735 18.810 1.00 0.00 N ATOM 0 H LYS A 59 -30.879 -14.826 20.327 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.076 -14.206 17.834 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -31.586 -12.505 20.308 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -32.513 -11.963 18.923 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -33.213 -14.319 20.732 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -33.988 -12.747 20.742 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -34.051 -14.762 18.443 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -35.372 -14.414 19.540 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -34.165 -12.472 17.514 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -35.711 -13.284 17.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -35.981 -11.017 18.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -36.491 -12.095 19.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -34.993 -11.308 19.476 1.00 0.00 H new ATOM 971 N LYS A 60 -29.110 -12.832 18.455 1.00 0.00 N ATOM 972 CA LYS A 60 -27.951 -12.165 17.812 1.00 0.00 C ATOM 973 C LYS A 60 -27.413 -12.983 16.620 1.00 0.00 C ATOM 974 O LYS A 60 -26.836 -12.409 15.702 1.00 0.00 O ATOM 975 CB LYS A 60 -26.812 -11.876 18.829 1.00 0.00 C ATOM 976 CG LYS A 60 -27.086 -10.717 19.812 1.00 0.00 C ATOM 977 CD LYS A 60 -27.353 -9.367 19.104 1.00 0.00 C ATOM 978 CE LYS A 60 -27.567 -8.205 20.092 1.00 0.00 C ATOM 979 NZ LYS A 60 -28.703 -8.456 21.025 1.00 0.00 N ATOM 0 H LYS A 60 -28.925 -13.163 19.402 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.313 -11.209 17.433 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.622 -12.782 19.405 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -25.900 -11.653 18.275 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -27.946 -10.971 20.432 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.232 -10.607 20.480 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -26.512 -9.132 18.451 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.233 -9.464 18.468 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -26.655 -8.048 20.668 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -27.754 -7.287 19.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.873 -7.607 21.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -29.559 -8.680 20.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -28.471 -9.256 21.647 1.00 0.00 H new ATOM 993 N ARG A 61 -27.582 -14.321 16.652 1.00 0.00 N ATOM 994 CA ARG A 61 -27.239 -15.197 15.499 1.00 0.00 C ATOM 995 C ARG A 61 -28.183 -14.919 14.318 1.00 0.00 C ATOM 996 O ARG A 61 -27.783 -15.040 13.162 1.00 0.00 O ATOM 997 CB ARG A 61 -27.278 -16.700 15.888 1.00 0.00 C ATOM 998 CG ARG A 61 -26.260 -17.089 16.979 1.00 0.00 C ATOM 999 CD ARG A 61 -26.349 -18.561 17.407 1.00 0.00 C ATOM 1000 NE ARG A 61 -25.421 -18.849 18.523 1.00 0.00 N ATOM 1001 CZ ARG A 61 -25.157 -20.062 19.027 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -25.642 -21.161 18.464 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -24.372 -20.163 20.083 1.00 0.00 N ATOM 0 H ARG A 61 -27.953 -14.823 17.459 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.218 -14.964 15.197 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.281 -16.950 16.235 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.090 -17.301 14.998 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.253 -16.886 16.614 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.416 -16.455 17.852 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -27.370 -18.794 17.710 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -26.114 -19.204 16.559 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.940 -18.055 18.945 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -26.228 -21.092 17.632 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.429 -22.075 18.863 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.975 -19.324 20.505 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.163 -21.080 20.477 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.438 -14.544 14.633 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.432 -14.121 13.622 1.00 0.00 C ATOM 1019 C ILE A 62 -30.106 -12.697 13.100 1.00 0.00 C ATOM 1020 O ILE A 62 -30.263 -12.416 11.904 1.00 0.00 O ATOM 1021 CB ILE A 62 -31.897 -14.165 14.209 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.194 -15.564 14.850 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -32.951 -13.821 13.124 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.543 -15.685 15.550 1.00 0.00 C ATOM 0 H ILE A 62 -29.792 -14.525 15.589 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.379 -14.822 12.789 1.00 0.00 H new ATOM 0 HB ILE A 62 -31.966 -13.407 14.989 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.139 -16.322 14.069 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.408 -15.790 15.570 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -33.949 -13.860 13.561 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.763 -12.819 12.739 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -32.883 -14.542 12.309 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -33.652 -16.689 15.959 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.600 -14.956 16.358 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.343 -15.497 14.834 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.637 -11.811 14.010 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.258 -10.417 13.659 1.00 0.00 C ATOM 1038 C GLU A 63 -28.034 -10.406 12.735 1.00 0.00 C ATOM 1039 O GLU A 63 -27.973 -9.655 11.755 1.00 0.00 O ATOM 1040 CB GLU A 63 -28.937 -9.575 14.930 1.00 0.00 C ATOM 1041 CG GLU A 63 -30.064 -9.496 15.982 1.00 0.00 C ATOM 1042 CD GLU A 63 -31.423 -9.038 15.420 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -31.578 -7.830 15.129 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -32.342 -9.876 15.271 1.00 0.00 O ATOM 0 H GLU A 63 -29.511 -12.036 14.997 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.112 -9.973 13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.050 -9.993 15.406 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.684 -8.562 14.618 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -30.186 -10.477 16.442 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -29.760 -8.809 16.772 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.075 -11.272 13.069 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.774 -11.361 12.399 1.00 0.00 C ATOM 1053 C PHE A 64 -25.731 -12.598 11.478 1.00 0.00 C ATOM 1054 O PHE A 64 -24.661 -13.140 11.209 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.637 -11.388 13.471 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.605 -10.175 14.422 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.847 -8.882 13.950 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.315 -10.328 15.782 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.806 -7.791 14.803 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.275 -9.234 16.633 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.520 -7.966 16.142 1.00 0.00 C ATOM 0 H PHE A 64 -27.182 -11.945 13.828 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.621 -10.485 11.768 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -24.743 -12.294 14.067 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.677 -11.453 12.958 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -25.069 -8.731 12.904 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.119 -11.314 16.176 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.998 -6.800 14.419 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.052 -9.373 17.681 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.488 -7.114 16.804 1.00 0.00 H new ATOM 1071 N ALA A 65 -26.918 -13.018 10.982 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.056 -14.161 10.046 1.00 0.00 C ATOM 1073 C ALA A 65 -26.457 -13.853 8.655 1.00 0.00 C ATOM 1074 O ALA A 65 -26.132 -14.768 7.899 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.534 -14.551 9.914 1.00 0.00 C ATOM 0 H ALA A 65 -27.806 -12.576 11.218 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.492 -14.997 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.629 -15.391 9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -28.923 -14.837 10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.101 -13.703 9.532 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.347 -12.556 8.314 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.692 -12.106 7.061 1.00 0.00 C ATOM 1083 C ASN A 66 -24.161 -11.999 7.235 1.00 0.00 C ATOM 1084 O ASN A 66 -23.434 -11.750 6.265 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.275 -10.751 6.593 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.712 -10.819 6.033 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.046 -10.080 5.107 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.579 -11.655 6.600 1.00 0.00 N ATOM 0 H ASN A 66 -26.704 -11.793 8.889 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.894 -12.856 6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.261 -10.057 7.433 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.621 -10.337 5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.543 -11.692 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.279 -12.258 7.366 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.690 -12.176 8.480 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.263 -12.145 8.820 1.00 0.00 C ATOM 1097 C TYR A 67 -21.799 -13.560 9.209 1.00 0.00 C ATOM 1098 O TYR A 67 -22.542 -14.318 9.850 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.014 -11.158 9.991 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.499 -9.718 9.727 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.004 -8.971 8.656 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.428 -9.093 10.566 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.413 -7.664 8.437 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -23.840 -7.791 10.346 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.327 -7.082 9.284 1.00 0.00 C ATOM 1106 OH TYR A 67 -23.725 -5.781 9.070 1.00 0.00 O ATOM 0 H TYR A 67 -24.295 -12.346 9.283 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.694 -11.806 7.955 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.513 -11.538 10.882 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.946 -11.134 10.209 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.288 -9.420 7.984 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -23.833 -9.640 11.405 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.015 -7.105 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -24.562 -7.332 11.006 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.375 -5.521 9.756 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.575 -13.914 8.795 1.00 0.00 N ATOM 1117 CA LYS A 68 -19.947 -15.190 9.161 1.00 0.00 C ATOM 1118 C LYS A 68 -19.387 -15.064 10.589 1.00 0.00 C ATOM 1119 O LYS A 68 -18.224 -14.686 10.794 1.00 0.00 O ATOM 1120 CB LYS A 68 -18.818 -15.584 8.147 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.284 -15.940 6.707 1.00 0.00 C ATOM 1122 CD LYS A 68 -19.867 -14.744 5.910 1.00 0.00 C ATOM 1123 CE LYS A 68 -20.355 -15.148 4.507 1.00 0.00 C ATOM 1124 NZ LYS A 68 -21.451 -16.154 4.551 1.00 0.00 N ATOM 0 H LYS A 68 -19.994 -13.325 8.198 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.692 -15.984 9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.110 -14.757 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.275 -16.438 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.439 -16.351 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.038 -16.725 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.697 -14.310 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.106 -13.969 5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.702 -14.261 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.518 -15.552 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.846 -16.279 3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.075 -17.062 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.198 -15.825 5.195 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.259 -15.328 11.575 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.884 -15.304 12.996 1.00 0.00 C ATOM 1140 C VAL A 69 -19.078 -16.563 13.333 1.00 0.00 C ATOM 1141 O VAL A 69 -19.498 -17.670 13.004 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.133 -15.208 13.944 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -20.700 -15.134 15.440 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.023 -14.004 13.554 1.00 0.00 C ATOM 0 H VAL A 69 -21.238 -15.563 11.410 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.281 -14.411 13.161 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.724 -16.116 13.821 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -21.585 -15.068 16.072 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.134 -16.029 15.700 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.077 -14.253 15.595 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.883 -13.955 14.223 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.446 -13.083 13.637 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.368 -14.124 12.527 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.927 -16.364 13.981 1.00 0.00 N ATOM 1155 CA VAL A 70 -16.968 -17.414 14.332 1.00 0.00 C ATOM 1156 C VAL A 70 -16.504 -17.232 15.790 1.00 0.00 C ATOM 1157 O VAL A 70 -16.909 -16.284 16.476 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.713 -17.389 13.365 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.124 -17.656 11.898 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.935 -16.051 13.484 1.00 0.00 C ATOM 0 H VAL A 70 -17.628 -15.438 14.285 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.465 -18.378 14.223 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.048 -18.194 13.678 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.239 -17.632 11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.596 -18.636 11.825 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.826 -16.889 11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.080 -16.066 12.808 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.593 -15.223 13.219 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.585 -15.923 14.508 1.00 0.00 H new ATOM 1170 N SER A 71 -15.669 -18.168 16.245 1.00 0.00 N ATOM 1171 CA SER A 71 -15.023 -18.125 17.560 1.00 0.00 C ATOM 1172 C SER A 71 -13.670 -17.373 17.477 1.00 0.00 C ATOM 1173 O SER A 71 -13.108 -17.238 16.380 1.00 0.00 O ATOM 1174 CB SER A 71 -14.818 -19.579 18.047 1.00 0.00 C ATOM 1175 OG SER A 71 -16.055 -20.272 18.128 1.00 0.00 O ATOM 0 H SER A 71 -15.418 -18.993 15.700 1.00 0.00 H new ATOM 0 HA SER A 71 -15.652 -17.586 18.268 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.148 -20.103 17.365 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.336 -19.573 19.025 1.00 0.00 H new ATOM 0 HG SER A 71 -16.395 -20.440 17.225 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.110 -16.871 18.639 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.737 -16.285 18.688 1.00 0.00 C ATOM 1183 C PRO A 72 -10.658 -17.302 18.254 1.00 0.00 C ATOM 1184 O PRO A 72 -9.584 -16.920 17.778 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.570 -15.878 20.183 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.597 -16.687 20.920 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.765 -16.801 19.977 1.00 0.00 C ATOM 0 HA PRO A 72 -11.616 -15.446 18.002 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.564 -16.095 20.542 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.734 -14.809 20.322 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.208 -17.670 21.184 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.889 -16.199 21.850 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.363 -17.689 20.181 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.432 -15.943 20.055 1.00 0.00 H new ATOM 1195 N ASP A 73 -11.005 -18.598 18.385 1.00 0.00 N ATOM 1196 CA ASP A 73 -10.151 -19.736 18.010 1.00 0.00 C ATOM 1197 C ASP A 73 -9.782 -19.708 16.515 1.00 0.00 C ATOM 1198 O ASP A 73 -8.745 -20.224 16.147 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.872 -21.066 18.347 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.290 -21.176 19.821 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -12.396 -20.697 20.167 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.515 -21.718 20.645 1.00 0.00 O ATOM 0 H ASP A 73 -11.907 -18.886 18.763 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.226 -19.660 18.582 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.757 -21.161 17.718 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.215 -21.900 18.100 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.638 -19.100 15.657 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.322 -18.939 14.213 1.00 0.00 C ATOM 1209 C TRP A 74 -9.057 -18.084 14.032 1.00 0.00 C ATOM 1210 O TRP A 74 -8.170 -18.426 13.251 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.510 -18.311 13.435 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.232 -18.067 11.959 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -10.760 -18.977 11.046 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.402 -16.841 11.234 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -10.637 -18.389 9.813 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.028 -17.083 9.901 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.847 -15.563 11.587 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.084 -16.094 8.922 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.899 -14.584 10.615 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.523 -14.857 9.295 1.00 0.00 C ATOM 0 H TRP A 74 -11.542 -18.717 15.934 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.141 -19.932 13.802 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.376 -18.967 13.526 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.776 -17.364 13.904 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.520 -20.007 11.267 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.307 -18.852 8.966 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.145 -15.346 12.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.790 -16.299 7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.235 -13.592 10.877 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.582 -14.072 8.556 1.00 0.00 H new ATOM 1231 N ILE A 75 -8.984 -16.996 14.805 1.00 0.00 N ATOM 1232 CA ILE A 75 -7.893 -16.014 14.717 1.00 0.00 C ATOM 1233 C ILE A 75 -6.614 -16.640 15.300 1.00 0.00 C ATOM 1234 O ILE A 75 -5.551 -16.610 14.675 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.242 -14.651 15.459 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.507 -13.945 14.845 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.032 -13.683 15.446 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -10.834 -14.617 15.126 1.00 0.00 C ATOM 0 H ILE A 75 -9.682 -16.769 15.513 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.742 -15.762 13.667 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.476 -14.909 16.492 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.550 -12.924 15.224 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.375 -13.879 13.765 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.299 -12.760 15.960 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.187 -14.149 15.953 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.757 -13.458 14.416 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.637 -14.048 14.657 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.822 -15.629 14.721 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.000 -14.659 16.202 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.778 -17.273 16.468 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.684 -17.894 17.240 1.00 0.00 C ATOM 1252 C VAL A 76 -5.016 -19.054 16.454 1.00 0.00 C ATOM 1253 O VAL A 76 -3.789 -19.102 16.339 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.236 -18.394 18.633 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.163 -19.147 19.456 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.822 -17.207 19.448 1.00 0.00 C ATOM 0 H VAL A 76 -7.690 -17.372 16.915 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.913 -17.143 17.412 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.034 -19.106 18.424 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.592 -19.470 20.404 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.821 -20.018 18.897 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.319 -18.484 19.647 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.197 -17.572 20.404 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.042 -16.466 19.623 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.638 -16.750 18.889 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.849 -19.953 15.890 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.388 -21.135 15.121 1.00 0.00 C ATOM 1268 C ASP A 77 -4.750 -20.725 13.781 1.00 0.00 C ATOM 1269 O ASP A 77 -3.726 -21.287 13.389 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.552 -22.149 14.873 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.865 -23.061 16.078 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -7.537 -22.613 17.024 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.421 -24.235 16.087 1.00 0.00 O ATOM 0 H ASP A 77 -6.865 -19.882 15.954 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.627 -21.627 15.727 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.452 -21.594 14.609 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.299 -22.773 14.016 1.00 0.00 H new ATOM 1278 N SER A 78 -5.364 -19.758 13.076 1.00 0.00 N ATOM 1279 CA SER A 78 -4.861 -19.292 11.762 1.00 0.00 C ATOM 1280 C SER A 78 -3.485 -18.591 11.905 1.00 0.00 C ATOM 1281 O SER A 78 -2.609 -18.743 11.051 1.00 0.00 O ATOM 1282 CB SER A 78 -5.894 -18.369 11.072 1.00 0.00 C ATOM 1283 OG SER A 78 -7.083 -19.075 10.727 1.00 0.00 O ATOM 0 H SER A 78 -6.209 -19.281 13.390 1.00 0.00 H new ATOM 0 HA SER A 78 -4.718 -20.166 11.127 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.142 -17.540 11.735 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.453 -17.937 10.173 1.00 0.00 H new ATOM 0 HG SER A 78 -7.718 -19.030 11.472 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.311 -17.843 13.012 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.022 -17.211 13.386 1.00 0.00 C ATOM 1291 C VAL A 79 -0.994 -18.285 13.828 1.00 0.00 C ATOM 1292 O VAL A 79 0.213 -18.156 13.563 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.268 -16.129 14.517 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -0.971 -15.698 15.247 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -2.994 -14.892 13.920 1.00 0.00 C ATOM 0 H VAL A 79 -4.061 -17.657 13.677 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.602 -16.704 12.517 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.899 -16.600 15.271 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.211 -14.956 16.008 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.513 -16.567 15.719 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.275 -15.267 14.528 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.159 -14.153 14.704 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.380 -14.454 13.133 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.953 -15.199 13.503 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.497 -19.357 14.471 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.667 -20.482 14.960 1.00 0.00 C ATOM 1307 C LYS A 80 -0.062 -21.270 13.787 1.00 0.00 C ATOM 1308 O LYS A 80 1.065 -21.775 13.871 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.522 -21.423 15.854 1.00 0.00 C ATOM 1310 CG LYS A 80 -0.724 -22.478 16.659 1.00 0.00 C ATOM 1311 CD LYS A 80 0.268 -21.845 17.661 1.00 0.00 C ATOM 1312 CE LYS A 80 -0.424 -20.957 18.712 1.00 0.00 C ATOM 1313 NZ LYS A 80 0.554 -20.214 19.540 1.00 0.00 N ATOM 0 H LYS A 80 -2.491 -19.470 14.668 1.00 0.00 H new ATOM 0 HA LYS A 80 0.152 -20.073 15.552 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.093 -20.812 16.553 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.243 -21.942 15.222 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.421 -23.118 17.200 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.176 -23.117 15.967 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.819 -22.637 18.168 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.998 -21.249 17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.086 -20.251 18.211 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.048 -21.577 19.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.047 -19.629 20.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.170 -20.888 20.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.133 -19.603 18.929 1.00 0.00 H new ATOM 1327 N GLU A 81 -0.830 -21.360 12.697 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.442 -22.104 11.488 1.00 0.00 C ATOM 1329 C GLU A 81 0.181 -21.190 10.418 1.00 0.00 C ATOM 1330 O GLU A 81 0.774 -21.695 9.450 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.687 -22.827 10.917 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.318 -23.869 11.861 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.308 -24.912 12.363 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -0.812 -25.716 11.539 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -0.995 -24.926 13.572 1.00 0.00 O ATOM 0 H GLU A 81 -1.746 -20.916 12.625 1.00 0.00 H new ATOM 0 HA GLU A 81 0.320 -22.832 11.767 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.441 -22.080 10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.408 -23.322 9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.759 -23.357 12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.130 -24.378 11.341 1.00 0.00 H new ATOM 1342 N ALA A 82 0.025 -19.858 10.600 1.00 0.00 N ATOM 1343 CA ALA A 82 0.469 -18.826 9.634 1.00 0.00 C ATOM 1344 C ALA A 82 -0.204 -19.026 8.247 1.00 0.00 C ATOM 1345 O ALA A 82 0.414 -18.803 7.195 1.00 0.00 O ATOM 1346 CB ALA A 82 2.015 -18.775 9.545 1.00 0.00 C ATOM 0 H ALA A 82 -0.418 -19.465 11.431 1.00 0.00 H new ATOM 0 HA ALA A 82 0.143 -17.852 10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.313 -18.009 8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.428 -18.536 10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.393 -19.744 9.218 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.502 -19.403 8.277 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.309 -19.687 7.065 1.00 0.00 C ATOM 1354 C ARG A 83 -3.812 -19.500 7.378 1.00 0.00 C ATOM 1355 O ARG A 83 -4.217 -19.592 8.536 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.026 -21.139 6.568 1.00 0.00 C ATOM 1357 CG ARG A 83 -2.670 -22.257 7.426 1.00 0.00 C ATOM 1358 CD ARG A 83 -2.021 -23.638 7.224 1.00 0.00 C ATOM 1359 NE ARG A 83 -0.650 -23.674 7.772 1.00 0.00 N ATOM 1360 CZ ARG A 83 0.054 -24.782 8.063 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -0.386 -25.988 7.718 1.00 0.00 N ATOM 1362 NH2 ARG A 83 1.219 -24.661 8.675 1.00 0.00 N ATOM 0 H ARG A 83 -2.023 -19.520 9.146 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.031 -18.990 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.386 -21.234 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.948 -21.296 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.600 -21.982 8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.731 -22.324 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.629 -24.402 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.996 -23.878 6.161 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.196 -22.777 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.273 -26.085 7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.163 -26.816 7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.573 -23.736 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.764 -25.492 8.902 1.00 0.00 H new ATOM 1376 N LEU A 84 -4.630 -19.238 6.336 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.093 -19.087 6.473 1.00 0.00 C ATOM 1378 C LEU A 84 -6.762 -20.466 6.661 1.00 0.00 C ATOM 1379 O LEU A 84 -6.810 -21.280 5.729 1.00 0.00 O ATOM 1380 CB LEU A 84 -6.683 -18.340 5.238 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.232 -18.101 5.245 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -8.680 -17.287 6.481 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -8.706 -17.431 3.929 1.00 0.00 C ATOM 0 H LEU A 84 -4.295 -19.126 5.379 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.301 -18.487 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.188 -17.372 5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.428 -18.906 4.342 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.709 -19.079 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.760 -17.142 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.413 -17.827 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.184 -16.317 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.785 -17.279 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.208 -16.469 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.459 -18.074 3.084 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.231 -20.732 7.892 1.00 0.00 N ATOM 1396 CA LEU A 85 -7.931 -21.980 8.245 1.00 0.00 C ATOM 1397 C LEU A 85 -9.453 -21.853 7.999 1.00 0.00 C ATOM 1398 O LEU A 85 -9.982 -20.729 7.998 1.00 0.00 O ATOM 1399 CB LEU A 85 -7.627 -22.354 9.721 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.154 -22.782 10.014 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -5.982 -23.195 11.484 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -5.689 -23.910 9.063 1.00 0.00 C ATOM 0 H LEU A 85 -7.135 -20.084 8.674 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.566 -22.781 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.872 -21.500 10.352 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.289 -23.168 10.016 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.519 -21.916 9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.947 -23.488 11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.236 -22.355 12.130 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.640 -24.035 11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.660 -24.182 9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.332 -24.781 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.747 -23.563 8.031 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.189 -23.013 7.786 1.00 0.00 N ATOM 1415 CA PRO A 86 -11.643 -22.994 7.518 1.00 0.00 C ATOM 1416 C PRO A 86 -12.444 -22.474 8.733 1.00 0.00 C ATOM 1417 O PRO A 86 -12.554 -23.151 9.764 1.00 0.00 O ATOM 1418 CB PRO A 86 -11.980 -24.473 7.170 1.00 0.00 C ATOM 1419 CG PRO A 86 -10.917 -25.271 7.854 1.00 0.00 C ATOM 1420 CD PRO A 86 -9.665 -24.420 7.794 1.00 0.00 C ATOM 0 HA PRO A 86 -11.913 -22.314 6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.973 -24.748 7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.970 -24.639 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.193 -25.489 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.764 -26.228 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.017 -24.601 8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.078 -24.634 6.900 1.00 0.00 H new ATOM 1428 N TRP A 87 -12.984 -21.251 8.581 1.00 0.00 N ATOM 1429 CA TRP A 87 -13.749 -20.552 9.624 1.00 0.00 C ATOM 1430 C TRP A 87 -15.038 -21.301 10.013 1.00 0.00 C ATOM 1431 O TRP A 87 -15.564 -21.082 11.110 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.038 -19.080 9.209 1.00 0.00 C ATOM 1433 CG TRP A 87 -14.709 -18.883 7.863 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.036 -19.039 7.559 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -14.075 -18.454 6.648 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.254 -18.747 6.238 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -15.072 -18.385 5.657 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -12.756 -18.126 6.306 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -14.792 -18.005 4.345 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -12.479 -17.742 5.008 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -13.494 -17.683 4.041 1.00 0.00 C ATOM 0 H TRP A 87 -12.899 -20.715 7.717 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.128 -20.532 10.519 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -14.666 -18.625 9.975 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.095 -18.534 9.205 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -16.799 -19.347 8.259 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.156 -18.793 5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -11.969 -18.173 7.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -15.569 -17.966 3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.467 -17.484 4.734 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -13.248 -17.377 3.035 1.00 0.00 H new ATOM 1452 N GLN A 88 -15.518 -22.190 9.111 1.00 0.00 N ATOM 1453 CA GLN A 88 -16.733 -23.016 9.320 1.00 0.00 C ATOM 1454 C GLN A 88 -16.621 -23.878 10.601 1.00 0.00 C ATOM 1455 O GLN A 88 -17.609 -24.069 11.318 1.00 0.00 O ATOM 1456 CB GLN A 88 -16.987 -23.924 8.076 1.00 0.00 C ATOM 1457 CG GLN A 88 -15.871 -24.953 7.781 1.00 0.00 C ATOM 1458 CD GLN A 88 -16.167 -25.880 6.595 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -17.327 -26.158 6.277 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -15.120 -26.403 5.967 1.00 0.00 N ATOM 0 H GLN A 88 -15.070 -22.356 8.210 1.00 0.00 H new ATOM 0 HA GLN A 88 -17.579 -22.340 9.448 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -17.925 -24.459 8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.115 -23.288 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -14.941 -24.418 7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.708 -25.561 8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -14.174 -26.152 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -15.261 -27.056 5.196 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.393 -24.354 10.890 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.092 -25.189 12.072 1.00 0.00 C ATOM 1471 C ASN A 89 -15.302 -24.391 13.383 1.00 0.00 C ATOM 1472 O ASN A 89 -15.609 -24.957 14.434 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.631 -25.706 11.980 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.225 -26.645 13.126 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.033 -27.431 13.622 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -11.979 -26.535 13.577 1.00 0.00 N ATOM 0 H ASN A 89 -14.577 -24.169 10.307 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.776 -26.038 12.086 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.501 -26.229 11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.955 -24.851 11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.666 -27.112 14.358 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.336 -25.873 13.142 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.145 -23.068 13.289 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.204 -22.153 14.444 1.00 0.00 C ATOM 1485 C TYR A 90 -16.524 -21.349 14.449 1.00 0.00 C ATOM 1486 O TYR A 90 -16.804 -20.631 15.408 1.00 0.00 O ATOM 1487 CB TYR A 90 -13.969 -21.206 14.384 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.639 -21.955 14.155 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -11.970 -22.593 15.204 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.066 -22.039 12.881 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -10.785 -23.285 14.989 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.883 -22.725 12.665 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.246 -23.346 13.721 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.073 -24.037 13.502 1.00 0.00 O ATOM 0 H TYR A 90 -14.972 -22.592 12.403 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.180 -22.727 15.370 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.113 -20.482 13.582 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.906 -20.643 15.315 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.383 -22.547 16.201 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.557 -21.558 12.048 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.287 -23.774 15.813 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.459 -22.774 11.673 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.833 -23.981 12.554 1.00 0.00 H new ATOM 1504 N SER A 91 -17.339 -21.491 13.377 1.00 0.00 N ATOM 1505 CA SER A 91 -18.553 -20.675 13.171 1.00 0.00 C ATOM 1506 C SER A 91 -19.631 -20.903 14.253 1.00 0.00 C ATOM 1507 O SER A 91 -19.984 -22.037 14.557 1.00 0.00 O ATOM 1508 CB SER A 91 -19.149 -20.924 11.768 1.00 0.00 C ATOM 1509 OG SER A 91 -18.269 -20.475 10.750 1.00 0.00 O ATOM 0 H SER A 91 -17.172 -22.172 12.636 1.00 0.00 H new ATOM 0 HA SER A 91 -18.237 -19.635 13.253 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.347 -21.988 11.638 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.105 -20.408 11.679 1.00 0.00 H new ATOM 0 HG SER A 91 -17.356 -20.764 10.956 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.134 -19.790 14.819 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.258 -19.774 15.777 1.00 0.00 C ATOM 1517 C LEU A 92 -22.536 -19.217 15.104 1.00 0.00 C ATOM 1518 O LEU A 92 -23.449 -18.738 15.788 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.872 -18.900 17.000 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.633 -19.384 17.818 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.287 -18.390 18.940 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.847 -20.810 18.375 1.00 0.00 C ATOM 0 H LEU A 92 -19.765 -18.860 14.621 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.464 -20.792 16.107 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.679 -17.885 16.651 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.729 -18.849 17.671 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.783 -19.424 17.137 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.421 -18.753 19.493 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.059 -17.416 18.506 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.136 -18.296 19.617 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.966 -21.116 18.939 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.718 -20.818 19.030 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -20.008 -21.503 17.549 1.00 0.00 H new ATOM 1534 N THR A 93 -22.580 -19.284 13.757 1.00 0.00 N ATOM 1535 CA THR A 93 -23.725 -18.807 12.950 1.00 0.00 C ATOM 1536 C THR A 93 -24.992 -19.638 13.254 1.00 0.00 C ATOM 1537 O THR A 93 -26.064 -19.087 13.545 1.00 0.00 O ATOM 1538 CB THR A 93 -23.385 -18.865 11.420 1.00 0.00 C ATOM 1539 OG1 THR A 93 -22.880 -20.166 11.069 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.354 -17.798 11.021 1.00 0.00 C ATOM 0 H THR A 93 -21.821 -19.671 13.196 1.00 0.00 H new ATOM 0 HA THR A 93 -23.922 -17.770 13.220 1.00 0.00 H new ATOM 0 HB THR A 93 -24.310 -18.667 10.878 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.673 -20.189 10.111 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.147 -17.873 9.953 1.00 0.00 H new ATOM 0 HG22 THR A 93 -22.750 -16.808 11.245 1.00 0.00 H new ATOM 0 HG23 THR A 93 -21.432 -17.955 11.581 1.00 0.00 H new ATOM 1548 N SER A 94 -24.832 -20.965 13.187 1.00 0.00 N ATOM 1549 CA SER A 94 -25.888 -21.930 13.512 1.00 0.00 C ATOM 1550 C SER A 94 -25.841 -22.223 15.034 1.00 0.00 C ATOM 1551 O SER A 94 -24.951 -22.979 15.483 1.00 0.00 O ATOM 1552 CB SER A 94 -25.703 -23.213 12.657 1.00 0.00 C ATOM 1553 OG SER A 94 -26.758 -24.141 12.845 1.00 0.00 O ATOM 1554 OXT SER A 94 -26.673 -21.663 15.780 1.00 0.00 O ATOM 0 H SER A 94 -23.956 -21.403 12.902 1.00 0.00 H new ATOM 0 HA SER A 94 -26.872 -21.525 13.275 1.00 0.00 H new ATOM 0 HB2 SER A 94 -25.646 -22.940 11.603 1.00 0.00 H new ATOM 0 HB3 SER A 94 -24.756 -23.686 12.916 1.00 0.00 H new ATOM 0 HG SER A 94 -26.602 -24.931 12.287 1.00 0.00 H new