USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 531 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 57 GLN : amide:sc= -0.256 K(o=1.3,f=0.55!) USER MOD Set 1.2: A 61 THR OG1 : rot 23:sc= 1.6 USER MOD Set 2.1: A 18 THR OG1 : rot -49:sc= 0.734 USER MOD Set 2.2: A 19 CYS SG : rot -53:sc= 1.62 USER MOD Set 2.3: A 21 SER OG : rot -92:sc= 1.24 USER MOD Set 2.4: A 22 CYS SG : rot 38:sc= 1.21 USER MOD Set 3.1: A 11 THR OG1 : rot -44:sc= 1.01 USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= 1.02 USER MOD Set 4.1: A 8 ASN : amide:sc= 0.885 K(o=1.6,f=-1.5!) USER MOD Set 4.2: A 52 TYR OH : rot 103:sc= 0.684 USER MOD Single : A 9 SER OG : rot 180:sc= -1.06 USER MOD Single : A 13 SER OG : rot -68:sc= 0.944 USER MOD Single : A 17 MET CE :methyl 170:sc= -0.117 (180deg=-0.408) USER MOD Single : A 20 ASN : amide:sc= 0.763 K(o=0.76,f=-3.6!) USER MOD Single : A 25 THR OG1 : rot 123:sc= 0.881 USER MOD Single : A 28 GLN : amide:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.25 K(o=-2.3,f=-6.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 37 HIS :FLIP no HD1:sc= 0.083 F(o=-1.3,f=0.083) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.36 F(o=-5.3!,f=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= 1.42 (180deg=0.852!) USER MOD Single : A 42 SER OG : rot -136:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= 0.714 (180deg=-0.884) USER MOD Single : A 47 ASN : amide:sc= 0.809 K(o=0.81,f=-0.25) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 0.914 (180deg=0.457) USER MOD Single : A 58 THR OG1 : rot -160:sc= 0.487 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.722 K(o=-0.72,f=-4!) USER MOD Single : A 69 MET CE :methyl -165:sc= -4.27! (180deg=-4.56) USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 2.920 -15.415 -0.285 1.00 0.00 N ATOM 82 CA VAL A 7 2.618 -13.964 -0.035 1.00 0.00 C ATOM 83 C VAL A 7 1.523 -13.461 -1.006 1.00 0.00 C ATOM 84 O VAL A 7 1.246 -14.084 -2.016 1.00 0.00 O ATOM 85 CB VAL A 7 3.949 -13.233 -0.260 1.00 0.00 C ATOM 86 CG1 VAL A 7 3.780 -11.754 0.062 1.00 0.00 C ATOM 87 CG2 VAL A 7 5.029 -13.813 0.662 1.00 0.00 C ATOM 0 HA VAL A 7 2.233 -13.789 0.970 1.00 0.00 H new ATOM 0 HB VAL A 7 4.246 -13.360 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.726 -11.236 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.017 -11.325 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.476 -11.641 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.970 -13.288 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.724 -13.690 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.161 -14.873 0.445 1.00 0.00 H new ATOM 97 N ASN A 8 0.894 -12.346 -0.698 1.00 0.00 N ATOM 98 CA ASN A 8 -0.194 -11.797 -1.580 1.00 0.00 C ATOM 99 C ASN A 8 0.287 -10.559 -2.353 1.00 0.00 C ATOM 100 O ASN A 8 1.402 -10.108 -2.189 1.00 0.00 O ATOM 101 CB ASN A 8 -1.310 -11.390 -0.612 1.00 0.00 C ATOM 102 CG ASN A 8 -2.669 -11.770 -1.193 1.00 0.00 C ATOM 103 OD1 ASN A 8 -3.424 -10.913 -1.601 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.020 -13.020 -1.244 1.00 0.00 N ATOM 0 H ASN A 8 1.089 -11.788 0.133 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.513 -12.529 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.166 -11.882 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.271 -10.316 -0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.929 -13.279 -1.627 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.386 -13.742 -0.901 1.00 0.00 H new ATOM 111 N SER A 9 -0.563 -9.996 -3.186 1.00 0.00 N ATOM 112 CA SER A 9 -0.163 -8.775 -3.962 1.00 0.00 C ATOM 113 C SER A 9 -1.325 -7.787 -4.085 1.00 0.00 C ATOM 114 O SER A 9 -2.433 -8.156 -4.417 1.00 0.00 O ATOM 115 CB SER A 9 0.259 -9.293 -5.338 1.00 0.00 C ATOM 116 OG SER A 9 0.932 -8.259 -6.048 1.00 0.00 O ATOM 0 H SER A 9 -1.511 -10.328 -3.361 1.00 0.00 H new ATOM 0 HA SER A 9 0.641 -8.232 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.913 -10.158 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.616 -9.624 -5.898 1.00 0.00 H new ATOM 0 HG SER A 9 1.204 -8.591 -6.929 1.00 0.00 H new ATOM 122 N VAL A 10 -1.078 -6.529 -3.805 1.00 0.00 N ATOM 123 CA VAL A 10 -2.171 -5.511 -3.885 1.00 0.00 C ATOM 124 C VAL A 10 -1.652 -4.165 -4.429 1.00 0.00 C ATOM 125 O VAL A 10 -0.522 -3.772 -4.204 1.00 0.00 O ATOM 126 CB VAL A 10 -2.669 -5.380 -2.434 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.949 -3.915 -2.082 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.963 -6.181 -2.277 1.00 0.00 C ATOM 0 H VAL A 10 -0.167 -6.165 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.965 -5.807 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.897 -5.760 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.300 -3.849 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.034 -3.333 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.713 -3.520 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.323 -6.094 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.717 -5.791 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.772 -7.229 -2.506 1.00 0.00 H new ATOM 138 N THR A 11 -2.491 -3.451 -5.134 1.00 0.00 N ATOM 139 CA THR A 11 -2.083 -2.128 -5.681 1.00 0.00 C ATOM 140 C THR A 11 -2.822 -1.010 -4.939 1.00 0.00 C ATOM 141 O THR A 11 -3.903 -1.219 -4.392 1.00 0.00 O ATOM 142 CB THR A 11 -2.457 -2.174 -7.163 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.596 -3.087 -7.835 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.301 -0.788 -7.788 1.00 0.00 C ATOM 0 H THR A 11 -3.447 -3.732 -5.354 1.00 0.00 H new ATOM 0 HA THR A 11 -1.019 -1.927 -5.556 1.00 0.00 H new ATOM 0 HB THR A 11 -3.494 -2.496 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.674 -2.949 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.570 -0.832 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.955 -0.082 -7.276 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.266 -0.459 -7.691 1.00 0.00 H new ATOM 152 N ILE A 12 -2.232 0.170 -4.905 1.00 0.00 N ATOM 153 CA ILE A 12 -2.856 1.326 -4.191 1.00 0.00 C ATOM 154 C ILE A 12 -2.810 2.624 -5.046 1.00 0.00 C ATOM 155 O ILE A 12 -1.751 3.194 -5.223 1.00 0.00 O ATOM 156 CB ILE A 12 -2.009 1.505 -2.920 1.00 0.00 C ATOM 157 CG1 ILE A 12 -2.239 0.329 -1.963 1.00 0.00 C ATOM 158 CG2 ILE A 12 -2.405 2.807 -2.215 1.00 0.00 C ATOM 159 CD1 ILE A 12 -1.202 0.373 -0.835 1.00 0.00 C ATOM 0 H ILE A 12 -1.337 0.376 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.909 1.138 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.957 1.542 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.245 0.377 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.162 -0.614 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.803 2.931 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.234 3.650 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.460 2.767 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.367 -0.464 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.200 0.304 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.300 1.310 -0.287 1.00 0.00 H new ATOM 171 N SER A 13 -3.932 3.143 -5.545 1.00 0.00 N ATOM 172 CA SER A 13 -3.851 4.423 -6.311 1.00 0.00 C ATOM 173 C SER A 13 -3.852 5.560 -5.288 1.00 0.00 C ATOM 174 O SER A 13 -4.746 5.670 -4.468 1.00 0.00 O ATOM 175 CB SER A 13 -5.083 4.461 -7.227 1.00 0.00 C ATOM 176 OG SER A 13 -6.198 4.993 -6.527 1.00 0.00 O ATOM 0 H SER A 13 -4.864 2.739 -5.451 1.00 0.00 H new ATOM 0 HA SER A 13 -2.954 4.516 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.873 5.069 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.313 3.456 -7.582 1.00 0.00 H new ATOM 0 HG SER A 13 -6.474 4.366 -5.827 1.00 0.00 H new ATOM 182 N VAL A 14 -2.835 6.370 -5.288 1.00 0.00 N ATOM 183 CA VAL A 14 -2.749 7.460 -4.288 1.00 0.00 C ATOM 184 C VAL A 14 -2.620 8.810 -4.989 1.00 0.00 C ATOM 185 O VAL A 14 -1.747 9.014 -5.811 1.00 0.00 O ATOM 186 CB VAL A 14 -1.494 7.162 -3.442 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.898 6.484 -2.131 1.00 0.00 C ATOM 188 CG2 VAL A 14 -0.524 6.236 -4.189 1.00 0.00 C ATOM 0 H VAL A 14 -2.055 6.322 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.642 7.507 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.998 8.112 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.007 6.277 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.561 7.143 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.414 5.549 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.350 6.045 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.022 5.293 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.210 6.711 -5.118 1.00 0.00 H new ATOM 198 N GLU A 15 -3.481 9.734 -4.666 1.00 0.00 N ATOM 199 CA GLU A 15 -3.415 11.069 -5.310 1.00 0.00 C ATOM 200 C GLU A 15 -2.909 12.117 -4.312 1.00 0.00 C ATOM 201 O GLU A 15 -2.711 11.835 -3.145 1.00 0.00 O ATOM 202 CB GLU A 15 -4.849 11.375 -5.755 1.00 0.00 C ATOM 203 CG GLU A 15 -4.878 11.542 -7.279 1.00 0.00 C ATOM 204 CD GLU A 15 -4.406 12.948 -7.648 1.00 0.00 C ATOM 205 OE1 GLU A 15 -3.233 13.234 -7.442 1.00 0.00 O ATOM 206 OE2 GLU A 15 -5.221 13.718 -8.125 1.00 0.00 O ATOM 0 H GLU A 15 -4.228 9.619 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.725 11.087 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.517 10.568 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.207 12.283 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.237 10.797 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.888 11.376 -7.654 1.00 0.00 H new ATOM 213 N GLY A 16 -2.677 13.322 -4.763 1.00 0.00 N ATOM 214 CA GLY A 16 -2.164 14.383 -3.837 1.00 0.00 C ATOM 215 C GLY A 16 -0.627 14.362 -3.790 1.00 0.00 C ATOM 216 O GLY A 16 -0.012 15.382 -3.560 1.00 0.00 O ATOM 0 H GLY A 16 -2.819 13.620 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.510 15.362 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.566 14.226 -2.836 1.00 0.00 H new ATOM 220 N MET A 17 -0.015 13.205 -3.987 1.00 0.00 N ATOM 221 CA MET A 17 1.491 13.074 -3.950 1.00 0.00 C ATOM 222 C MET A 17 2.182 14.394 -4.359 1.00 0.00 C ATOM 223 O MET A 17 2.311 14.708 -5.525 1.00 0.00 O ATOM 224 CB MET A 17 1.840 11.960 -4.956 1.00 0.00 C ATOM 225 CG MET A 17 0.872 10.767 -4.838 1.00 0.00 C ATOM 226 SD MET A 17 0.525 10.414 -3.100 1.00 0.00 S ATOM 227 CE MET A 17 2.064 9.543 -2.747 1.00 0.00 C ATOM 0 H MET A 17 -0.505 12.331 -4.175 1.00 0.00 H new ATOM 0 HA MET A 17 1.836 12.841 -2.943 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.804 12.360 -5.969 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.861 11.620 -4.783 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.057 10.989 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.306 9.889 -5.315 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.152 9.381 -1.673 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.064 8.581 -3.260 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.908 10.140 -3.094 1.00 0.00 H new ATOM 237 N THR A 18 2.586 15.177 -3.391 1.00 0.00 N ATOM 238 CA THR A 18 3.231 16.513 -3.682 1.00 0.00 C ATOM 239 C THR A 18 4.666 16.393 -4.212 1.00 0.00 C ATOM 240 O THR A 18 5.131 17.253 -4.933 1.00 0.00 O ATOM 241 CB THR A 18 3.257 17.271 -2.341 1.00 0.00 C ATOM 242 OG1 THR A 18 4.105 16.592 -1.402 1.00 0.00 O ATOM 243 CG2 THR A 18 1.837 17.378 -1.771 1.00 0.00 C ATOM 0 H THR A 18 2.500 14.954 -2.399 1.00 0.00 H new ATOM 0 HA THR A 18 2.662 17.022 -4.460 1.00 0.00 H new ATOM 0 HB THR A 18 3.651 18.272 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.873 15.640 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.865 17.915 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.202 17.916 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.433 16.378 -1.610 1.00 0.00 H new ATOM 251 N CYS A 19 5.377 15.360 -3.843 1.00 0.00 N ATOM 252 CA CYS A 19 6.797 15.210 -4.309 1.00 0.00 C ATOM 253 C CYS A 19 7.415 13.944 -3.718 1.00 0.00 C ATOM 254 O CYS A 19 6.809 13.299 -2.880 1.00 0.00 O ATOM 255 CB CYS A 19 7.537 16.450 -3.782 1.00 0.00 C ATOM 256 SG CYS A 19 7.281 16.611 -1.993 1.00 0.00 S ATOM 0 H CYS A 19 5.040 14.611 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 19 6.859 15.129 -5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.602 16.368 -3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.176 17.343 -4.291 1.00 0.00 H new ATOM 0 HG CYS A 19 6.008 16.586 -1.733 1.00 0.00 H new ATOM 261 N ASN A 20 8.618 13.608 -4.134 1.00 0.00 N ATOM 262 CA ASN A 20 9.323 12.387 -3.602 1.00 0.00 C ATOM 263 C ASN A 20 9.057 12.211 -2.096 1.00 0.00 C ATOM 264 O ASN A 20 8.889 11.107 -1.613 1.00 0.00 O ATOM 265 CB ASN A 20 10.815 12.640 -3.866 1.00 0.00 C ATOM 266 CG ASN A 20 11.041 12.973 -5.342 1.00 0.00 C ATOM 267 OD1 ASN A 20 10.701 14.050 -5.786 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.600 12.098 -6.124 1.00 0.00 N ATOM 0 H ASN A 20 9.149 14.134 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 20 8.972 11.474 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.168 13.461 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.395 11.759 -3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.752 12.317 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.887 11.192 -5.753 1.00 0.00 H new ATOM 275 N SER A 21 8.983 13.300 -1.365 1.00 0.00 N ATOM 276 CA SER A 21 8.692 13.219 0.111 1.00 0.00 C ATOM 277 C SER A 21 7.420 12.382 0.378 1.00 0.00 C ATOM 278 O SER A 21 7.236 11.814 1.436 1.00 0.00 O ATOM 279 CB SER A 21 8.462 14.675 0.542 1.00 0.00 C ATOM 280 OG SER A 21 7.088 15.030 0.338 1.00 0.00 O ATOM 0 H SER A 21 9.111 14.246 -1.725 1.00 0.00 H new ATOM 0 HA SER A 21 9.503 12.740 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.727 14.799 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.108 15.340 -0.031 1.00 0.00 H new ATOM 0 HG SER A 21 6.981 15.427 -0.552 1.00 0.00 H new ATOM 286 N CYS A 22 6.556 12.295 -0.596 1.00 0.00 N ATOM 287 CA CYS A 22 5.290 11.511 -0.459 1.00 0.00 C ATOM 288 C CYS A 22 5.546 10.060 -0.863 1.00 0.00 C ATOM 289 O CYS A 22 4.924 9.146 -0.361 1.00 0.00 O ATOM 290 CB CYS A 22 4.325 12.207 -1.416 1.00 0.00 C ATOM 291 SG CYS A 22 4.102 13.921 -0.862 1.00 0.00 S ATOM 0 H CYS A 22 6.676 12.745 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 22 4.895 11.480 0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.718 12.185 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.367 11.687 -1.433 1.00 0.00 H new ATOM 0 HG CYS A 22 5.232 14.383 -0.414 1.00 0.00 H new ATOM 296 N VAL A 23 6.517 9.847 -1.714 1.00 0.00 N ATOM 297 CA VAL A 23 6.890 8.463 -2.101 1.00 0.00 C ATOM 298 C VAL A 23 7.743 7.927 -0.964 1.00 0.00 C ATOM 299 O VAL A 23 7.594 6.801 -0.539 1.00 0.00 O ATOM 300 CB VAL A 23 7.677 8.581 -3.423 1.00 0.00 C ATOM 301 CG1 VAL A 23 9.153 8.209 -3.230 1.00 0.00 C ATOM 302 CG2 VAL A 23 7.070 7.630 -4.454 1.00 0.00 C ATOM 0 H VAL A 23 7.068 10.581 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 23 6.047 7.789 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 23 7.617 9.615 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.679 8.303 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.604 8.879 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.226 7.181 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.622 7.709 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.128 6.607 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.027 7.896 -4.624 1.00 0.00 H new ATOM 312 N TRP A 24 8.593 8.766 -0.411 1.00 0.00 N ATOM 313 CA TRP A 24 9.400 8.307 0.755 1.00 0.00 C ATOM 314 C TRP A 24 8.441 7.971 1.889 1.00 0.00 C ATOM 315 O TRP A 24 8.683 7.097 2.685 1.00 0.00 O ATOM 316 CB TRP A 24 10.292 9.481 1.168 1.00 0.00 C ATOM 317 CG TRP A 24 11.556 9.493 0.367 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.429 8.466 0.230 1.00 0.00 C ATOM 319 CD2 TRP A 24 12.102 10.591 -0.399 1.00 0.00 C ATOM 320 NE1 TRP A 24 13.474 8.879 -0.584 1.00 0.00 N ATOM 321 CE2 TRP A 24 13.312 10.187 -0.995 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.655 11.890 -0.624 1.00 0.00 C ATOM 323 CZ2 TRP A 24 14.054 11.056 -1.798 1.00 0.00 C ATOM 324 CZ3 TRP A 24 12.381 12.770 -1.422 1.00 0.00 C ATOM 325 CH2 TRP A 24 13.584 12.357 -2.015 1.00 0.00 C ATOM 0 H TRP A 24 8.756 9.727 -0.713 1.00 0.00 H new ATOM 0 HA TRP A 24 10.004 7.431 0.517 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.756 10.419 1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.529 9.408 2.229 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.328 7.489 0.679 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.264 8.289 -0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.731 12.220 -0.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 14.980 10.728 -2.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.017 13.774 -1.585 1.00 0.00 H new ATOM 0 HH2 TRP A 24 14.145 13.040 -2.636 1.00 0.00 H new ATOM 336 N THR A 25 7.346 8.678 1.956 1.00 0.00 N ATOM 337 CA THR A 25 6.346 8.431 3.047 1.00 0.00 C ATOM 338 C THR A 25 5.443 7.213 2.750 1.00 0.00 C ATOM 339 O THR A 25 5.021 6.519 3.651 1.00 0.00 O ATOM 340 CB THR A 25 5.510 9.720 3.102 1.00 0.00 C ATOM 341 OG1 THR A 25 6.359 10.820 3.406 1.00 0.00 O ATOM 342 CG2 THR A 25 4.446 9.608 4.189 1.00 0.00 C ATOM 0 H THR A 25 7.095 9.420 1.302 1.00 0.00 H new ATOM 0 HA THR A 25 6.840 8.201 3.991 1.00 0.00 H new ATOM 0 HB THR A 25 5.029 9.870 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.285 11.495 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.859 10.526 4.220 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.790 8.765 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.927 9.452 5.155 1.00 0.00 H new ATOM 350 N ILE A 26 5.143 6.950 1.508 1.00 0.00 N ATOM 351 CA ILE A 26 4.243 5.793 1.172 1.00 0.00 C ATOM 352 C ILE A 26 5.050 4.574 0.721 1.00 0.00 C ATOM 353 O ILE A 26 4.603 3.447 0.832 1.00 0.00 O ATOM 354 CB ILE A 26 3.343 6.318 0.043 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.382 7.374 0.605 1.00 0.00 C ATOM 356 CG2 ILE A 26 2.522 5.175 -0.563 1.00 0.00 C ATOM 357 CD1 ILE A 26 1.639 6.803 1.817 1.00 0.00 C ATOM 0 H ILE A 26 5.479 7.483 0.706 1.00 0.00 H new ATOM 0 HA ILE A 26 3.666 5.457 2.034 1.00 0.00 H new ATOM 0 HB ILE A 26 3.974 6.756 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.936 8.267 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.669 7.676 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.890 5.564 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.195 4.419 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.897 4.727 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.957 7.556 2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.072 5.923 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.359 6.524 2.587 1.00 0.00 H new ATOM 369 N GLU A 27 6.248 4.781 0.259 1.00 0.00 N ATOM 370 CA GLU A 27 7.095 3.634 -0.152 1.00 0.00 C ATOM 371 C GLU A 27 7.804 3.136 1.100 1.00 0.00 C ATOM 372 O GLU A 27 8.027 1.952 1.278 1.00 0.00 O ATOM 373 CB GLU A 27 8.080 4.189 -1.191 1.00 0.00 C ATOM 374 CG GLU A 27 8.562 3.056 -2.110 1.00 0.00 C ATOM 375 CD GLU A 27 8.806 3.586 -3.523 1.00 0.00 C ATOM 376 OE1 GLU A 27 9.480 4.589 -3.655 1.00 0.00 O ATOM 377 OE2 GLU A 27 8.317 2.968 -4.462 1.00 0.00 O ATOM 0 H GLU A 27 6.678 5.699 0.148 1.00 0.00 H new ATOM 0 HA GLU A 27 6.542 2.802 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.599 4.968 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.931 4.649 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.480 2.623 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.819 2.259 -2.137 1.00 0.00 H new ATOM 384 N GLN A 28 8.111 4.040 2.005 1.00 0.00 N ATOM 385 CA GLN A 28 8.759 3.614 3.278 1.00 0.00 C ATOM 386 C GLN A 28 7.694 3.073 4.236 1.00 0.00 C ATOM 387 O GLN A 28 7.944 2.143 4.983 1.00 0.00 O ATOM 388 CB GLN A 28 9.399 4.873 3.861 1.00 0.00 C ATOM 389 CG GLN A 28 10.092 4.541 5.189 1.00 0.00 C ATOM 390 CD GLN A 28 9.682 5.561 6.254 1.00 0.00 C ATOM 391 OE1 GLN A 28 10.517 6.248 6.804 1.00 0.00 O ATOM 392 NE2 GLN A 28 8.427 5.690 6.579 1.00 0.00 N ATOM 0 H GLN A 28 7.941 5.042 1.914 1.00 0.00 H new ATOM 0 HA GLN A 28 9.498 2.828 3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.122 5.283 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.639 5.638 4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.820 3.536 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.174 4.552 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.720 5.116 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.152 6.365 7.292 1.00 0.00 H new ATOM 401 N GLN A 29 6.505 3.642 4.214 1.00 0.00 N ATOM 402 CA GLN A 29 5.437 3.144 5.134 1.00 0.00 C ATOM 403 C GLN A 29 5.006 1.733 4.725 1.00 0.00 C ATOM 404 O GLN A 29 5.169 0.788 5.466 1.00 0.00 O ATOM 405 CB GLN A 29 4.275 4.135 4.993 1.00 0.00 C ATOM 406 CG GLN A 29 3.074 3.645 5.813 1.00 0.00 C ATOM 407 CD GLN A 29 3.310 3.916 7.300 1.00 0.00 C ATOM 408 OE1 GLN A 29 4.353 3.598 7.833 1.00 0.00 O ATOM 409 NE2 GLN A 29 2.377 4.487 7.998 1.00 0.00 N ATOM 0 H GLN A 29 6.236 4.417 3.607 1.00 0.00 H new ATOM 0 HA GLN A 29 5.781 3.083 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.583 5.123 5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.995 4.235 3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.167 4.151 5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.922 2.578 5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.499 4.756 7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.521 4.667 8.991 1.00 0.00 H new ATOM 418 N ILE A 30 4.462 1.586 3.548 1.00 0.00 N ATOM 419 CA ILE A 30 4.015 0.231 3.088 1.00 0.00 C ATOM 420 C ILE A 30 5.196 -0.755 3.076 1.00 0.00 C ATOM 421 O ILE A 30 5.059 -1.898 3.471 1.00 0.00 O ATOM 422 CB ILE A 30 3.463 0.454 1.671 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.100 1.155 1.748 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.296 -0.889 0.954 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.054 0.220 2.368 1.00 0.00 C ATOM 0 H ILE A 30 4.306 2.342 2.882 1.00 0.00 H new ATOM 0 HA ILE A 30 3.265 -0.202 3.749 1.00 0.00 H new ATOM 0 HB ILE A 30 4.165 1.076 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.184 2.064 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.782 1.457 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.904 -0.720 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.263 -1.388 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.602 -1.516 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.092 0.731 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.958 -0.676 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.367 -0.060 3.374 1.00 0.00 H new ATOM 437 N GLY A 31 6.352 -0.320 2.629 1.00 0.00 N ATOM 438 CA GLY A 31 7.545 -1.225 2.584 1.00 0.00 C ATOM 439 C GLY A 31 7.840 -1.824 3.965 1.00 0.00 C ATOM 440 O GLY A 31 8.224 -2.974 4.070 1.00 0.00 O ATOM 0 H GLY A 31 6.520 0.628 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.369 -2.027 1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.414 -0.668 2.233 1.00 0.00 H new ATOM 444 N LYS A 32 7.680 -1.067 5.023 1.00 0.00 N ATOM 445 CA LYS A 32 7.974 -1.629 6.382 1.00 0.00 C ATOM 446 C LYS A 32 6.768 -1.494 7.330 1.00 0.00 C ATOM 447 O LYS A 32 6.934 -1.433 8.533 1.00 0.00 O ATOM 448 CB LYS A 32 9.164 -0.812 6.900 1.00 0.00 C ATOM 449 CG LYS A 32 10.457 -1.613 6.710 1.00 0.00 C ATOM 450 CD LYS A 32 10.902 -1.529 5.245 1.00 0.00 C ATOM 451 CE LYS A 32 12.296 -0.904 5.158 1.00 0.00 C ATOM 452 NZ LYS A 32 12.054 0.509 4.743 1.00 0.00 N ATOM 0 H LYS A 32 7.363 -0.098 5.008 1.00 0.00 H new ATOM 0 HA LYS A 32 8.192 -2.696 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.229 0.135 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.023 -0.573 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.239 -1.222 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.297 -2.653 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.912 -2.525 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.191 -0.933 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.812 -0.952 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.920 -1.428 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.963 1.007 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.567 0.522 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.463 0.983 5.455 1.00 0.00 H new ATOM 466 N VAL A 33 5.561 -1.447 6.815 1.00 0.00 N ATOM 467 CA VAL A 33 4.375 -1.311 7.721 1.00 0.00 C ATOM 468 C VAL A 33 4.125 -2.609 8.510 1.00 0.00 C ATOM 469 O VAL A 33 3.815 -2.566 9.685 1.00 0.00 O ATOM 470 CB VAL A 33 3.180 -0.968 6.814 1.00 0.00 C ATOM 471 CG1 VAL A 33 2.882 -2.109 5.838 1.00 0.00 C ATOM 472 CG2 VAL A 33 1.951 -0.725 7.684 1.00 0.00 C ATOM 0 H VAL A 33 5.347 -1.496 5.819 1.00 0.00 H new ATOM 0 HA VAL A 33 4.536 -0.533 8.467 1.00 0.00 H new ATOM 0 HB VAL A 33 3.427 -0.076 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.033 -1.838 5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.755 -2.288 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.645 -3.014 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.099 -0.481 7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.729 -1.624 8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.145 0.104 8.365 1.00 0.00 H new ATOM 482 N ASN A 34 4.249 -3.758 7.894 1.00 0.00 N ATOM 483 CA ASN A 34 4.003 -5.029 8.653 1.00 0.00 C ATOM 484 C ASN A 34 4.606 -6.243 7.928 1.00 0.00 C ATOM 485 O ASN A 34 5.532 -6.866 8.409 1.00 0.00 O ATOM 486 CB ASN A 34 2.477 -5.144 8.730 1.00 0.00 C ATOM 487 CG ASN A 34 2.100 -6.455 9.417 1.00 0.00 C ATOM 488 OD1 ASN A 34 1.705 -7.465 8.698 1.00 0.00 O flip ATOM 489 ND2 ASN A 34 2.170 -6.561 10.621 1.00 0.00 N flip ATOM 0 H ASN A 34 4.506 -3.874 6.914 1.00 0.00 H new ATOM 0 HA ASN A 34 4.470 -5.010 9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.065 -4.300 9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.048 -5.109 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.480 -5.770 11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.919 -7.441 11.071 1.00 0.00 H new ATOM 496 N GLY A 35 4.076 -6.581 6.781 1.00 0.00 N ATOM 497 CA GLY A 35 4.597 -7.753 6.017 1.00 0.00 C ATOM 498 C GLY A 35 4.498 -7.451 4.526 1.00 0.00 C ATOM 499 O GLY A 35 3.610 -7.923 3.852 1.00 0.00 O ATOM 0 H GLY A 35 3.299 -6.091 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.632 -7.954 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.023 -8.647 6.260 1.00 0.00 H new ATOM 503 N VAL A 36 5.413 -6.673 4.016 1.00 0.00 N ATOM 504 CA VAL A 36 5.403 -6.325 2.572 1.00 0.00 C ATOM 505 C VAL A 36 6.763 -6.668 1.981 1.00 0.00 C ATOM 506 O VAL A 36 7.684 -5.874 1.960 1.00 0.00 O ATOM 507 CB VAL A 36 5.132 -4.821 2.499 1.00 0.00 C ATOM 508 CG1 VAL A 36 5.520 -4.295 1.113 1.00 0.00 C ATOM 509 CG2 VAL A 36 3.644 -4.564 2.733 1.00 0.00 C ATOM 0 H VAL A 36 6.178 -6.259 4.549 1.00 0.00 H new ATOM 0 HA VAL A 36 4.646 -6.873 2.011 1.00 0.00 H new ATOM 0 HB VAL A 36 5.721 -4.310 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.326 -3.224 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.580 -4.481 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.931 -4.806 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.447 -3.493 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.061 -5.077 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.360 -4.938 3.717 1.00 0.00 H new ATOM 519 N HIS A 37 6.882 -7.861 1.517 1.00 0.00 N ATOM 520 CA HIS A 37 8.178 -8.320 0.918 1.00 0.00 C ATOM 521 C HIS A 37 8.535 -7.443 -0.305 1.00 0.00 C ATOM 522 O HIS A 37 9.693 -7.238 -0.604 1.00 0.00 O ATOM 523 CB HIS A 37 7.962 -9.791 0.516 1.00 0.00 C ATOM 524 CG HIS A 37 7.524 -10.608 1.712 1.00 0.00 C ATOM 525 ND1 HIS A 37 6.323 -10.693 2.380 1.00 0.00 N flip ATOM 526 CD2 HIS A 37 8.375 -11.492 2.359 1.00 0.00 C flip ATOM 527 CE1 HIS A 37 6.427 -11.608 3.420 1.00 0.00 C flip ATOM 528 NE2 HIS A 37 7.682 -12.061 3.365 1.00 0.00 N flip ATOM 0 H HIS A 37 6.138 -8.559 1.519 1.00 0.00 H new ATOM 0 HA HIS A 37 9.009 -8.232 1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.209 -9.853 -0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.885 -10.201 0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.406 -11.689 2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.658 -11.892 4.123 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.069 -12.753 4.006 1.00 0.00 H new ATOM 536 N HIS A 38 7.549 -6.900 -0.992 1.00 0.00 N ATOM 537 CA HIS A 38 7.837 -6.009 -2.171 1.00 0.00 C ATOM 538 C HIS A 38 6.831 -4.844 -2.197 1.00 0.00 C ATOM 539 O HIS A 38 5.632 -5.054 -2.184 1.00 0.00 O ATOM 540 CB HIS A 38 7.676 -6.863 -3.436 1.00 0.00 C ATOM 541 CG HIS A 38 8.544 -8.083 -3.351 1.00 0.00 C ATOM 542 ND1 HIS A 38 8.413 -9.231 -2.629 1.00 0.00 N flip ATOM 543 CD2 HIS A 38 9.717 -8.217 -4.073 1.00 0.00 C flip ATOM 544 CE1 HIS A 38 9.484 -10.080 -2.891 1.00 0.00 C flip ATOM 545 NE2 HIS A 38 10.242 -9.420 -3.768 1.00 0.00 N flip ATOM 0 H HIS A 38 6.559 -7.035 -0.787 1.00 0.00 H new ATOM 0 HA HIS A 38 8.843 -5.594 -2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.633 -7.157 -3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.944 -6.278 -4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 38 10.135 -7.491 -4.755 1.00 0.00 H new ATOM 0 HE1 HIS A 38 9.663 -11.060 -2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 38 11.112 -9.781 -4.159 1.00 0.00 H new ATOM 553 N ILE A 39 7.305 -3.625 -2.233 1.00 0.00 N ATOM 554 CA ILE A 39 6.379 -2.455 -2.259 1.00 0.00 C ATOM 555 C ILE A 39 6.847 -1.454 -3.338 1.00 0.00 C ATOM 556 O ILE A 39 8.032 -1.221 -3.488 1.00 0.00 O ATOM 557 CB ILE A 39 6.489 -1.839 -0.854 1.00 0.00 C ATOM 558 CG1 ILE A 39 5.849 -0.446 -0.851 1.00 0.00 C ATOM 559 CG2 ILE A 39 7.962 -1.726 -0.436 1.00 0.00 C ATOM 560 CD1 ILE A 39 6.814 0.562 -1.464 1.00 0.00 C ATOM 0 H ILE A 39 8.297 -3.390 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 39 5.351 -2.728 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 39 5.968 -2.483 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.917 -0.462 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.599 -0.152 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.025 -1.288 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.414 -2.718 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.494 -1.092 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.357 1.552 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.735 0.586 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.042 0.271 -2.489 1.00 0.00 H new ATOM 572 N LYS A 40 5.950 -0.851 -4.081 1.00 0.00 N ATOM 573 CA LYS A 40 6.396 0.145 -5.120 1.00 0.00 C ATOM 574 C LYS A 40 5.372 1.285 -5.270 1.00 0.00 C ATOM 575 O LYS A 40 4.218 1.066 -5.580 1.00 0.00 O ATOM 576 CB LYS A 40 6.525 -0.638 -6.429 1.00 0.00 C ATOM 577 CG LYS A 40 7.739 -0.115 -7.214 1.00 0.00 C ATOM 578 CD LYS A 40 7.478 1.326 -7.679 1.00 0.00 C ATOM 579 CE LYS A 40 8.793 2.113 -7.720 1.00 0.00 C ATOM 580 NZ LYS A 40 8.530 3.361 -6.934 1.00 0.00 N ATOM 0 H LYS A 40 4.943 -0.998 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 40 7.340 0.610 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.643 -1.701 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.618 -0.528 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.630 -0.149 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.930 -0.756 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.018 1.320 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.775 1.813 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.610 1.538 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.080 2.347 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.165 4.117 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.542 3.655 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.701 3.178 -5.925 1.00 0.00 H new ATOM 594 N VAL A 41 5.805 2.503 -5.049 1.00 0.00 N ATOM 595 CA VAL A 41 4.897 3.684 -5.164 1.00 0.00 C ATOM 596 C VAL A 41 5.298 4.573 -6.353 1.00 0.00 C ATOM 597 O VAL A 41 6.406 4.502 -6.862 1.00 0.00 O ATOM 598 CB VAL A 41 5.082 4.442 -3.841 1.00 0.00 C ATOM 599 CG1 VAL A 41 4.215 5.706 -3.831 1.00 0.00 C ATOM 600 CG2 VAL A 41 4.669 3.542 -2.675 1.00 0.00 C ATOM 0 H VAL A 41 6.765 2.730 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 41 3.862 3.390 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 41 6.130 4.724 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.354 6.235 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.507 6.354 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.166 5.429 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.800 4.080 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.623 3.258 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.289 2.646 -2.670 1.00 0.00 H new ATOM 610 N SER A 42 4.393 5.411 -6.787 1.00 0.00 N ATOM 611 CA SER A 42 4.674 6.328 -7.923 1.00 0.00 C ATOM 612 C SER A 42 3.995 7.678 -7.653 1.00 0.00 C ATOM 613 O SER A 42 2.947 7.973 -8.191 1.00 0.00 O ATOM 614 CB SER A 42 4.068 5.639 -9.148 1.00 0.00 C ATOM 615 OG SER A 42 5.050 4.802 -9.750 1.00 0.00 O ATOM 0 H SER A 42 3.456 5.497 -6.393 1.00 0.00 H new ATOM 0 HA SER A 42 5.737 6.522 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.200 5.048 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.720 6.384 -9.864 1.00 0.00 H new ATOM 0 HG SER A 42 5.023 4.913 -10.723 1.00 0.00 H new ATOM 621 N LEU A 43 4.577 8.485 -6.795 1.00 0.00 N ATOM 622 CA LEU A 43 3.965 9.815 -6.450 1.00 0.00 C ATOM 623 C LEU A 43 3.699 10.663 -7.711 1.00 0.00 C ATOM 624 O LEU A 43 2.772 11.454 -7.749 1.00 0.00 O ATOM 625 CB LEU A 43 4.979 10.497 -5.504 1.00 0.00 C ATOM 626 CG LEU A 43 6.022 11.288 -6.300 1.00 0.00 C ATOM 627 CD1 LEU A 43 5.630 12.765 -6.339 1.00 0.00 C ATOM 628 CD2 LEU A 43 7.386 11.147 -5.626 1.00 0.00 C ATOM 0 H LEU A 43 5.454 8.280 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 43 2.991 9.698 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.453 11.165 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.476 9.744 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 43 6.070 10.899 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.374 13.324 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.656 12.870 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.580 13.155 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.130 11.709 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.331 11.536 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.671 10.095 -5.597 1.00 0.00 H new ATOM 640 N GLU A 44 4.491 10.506 -8.738 1.00 0.00 N ATOM 641 CA GLU A 44 4.274 11.302 -9.985 1.00 0.00 C ATOM 642 C GLU A 44 3.072 10.756 -10.735 1.00 0.00 C ATOM 643 O GLU A 44 2.153 11.475 -11.078 1.00 0.00 O ATOM 644 CB GLU A 44 5.566 11.147 -10.803 1.00 0.00 C ATOM 645 CG GLU A 44 6.759 11.696 -10.002 1.00 0.00 C ATOM 646 CD GLU A 44 7.524 10.560 -9.302 1.00 0.00 C ATOM 647 OE1 GLU A 44 6.891 9.614 -8.850 1.00 0.00 O ATOM 648 OE2 GLU A 44 8.732 10.670 -9.210 1.00 0.00 O ATOM 0 H GLU A 44 5.280 9.861 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 44 4.069 12.353 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.731 10.097 -11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.475 11.681 -11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.432 12.235 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.405 12.412 -9.260 1.00 0.00 H new ATOM 655 N GLU A 45 3.051 9.481 -10.937 1.00 0.00 N ATOM 656 CA GLU A 45 1.886 8.843 -11.611 1.00 0.00 C ATOM 657 C GLU A 45 0.746 8.674 -10.588 1.00 0.00 C ATOM 658 O GLU A 45 -0.268 8.067 -10.878 1.00 0.00 O ATOM 659 CB GLU A 45 2.389 7.473 -12.094 1.00 0.00 C ATOM 660 CG GLU A 45 3.768 7.620 -12.759 1.00 0.00 C ATOM 661 CD GLU A 45 4.861 7.150 -11.795 1.00 0.00 C ATOM 662 OE1 GLU A 45 5.153 7.881 -10.862 1.00 0.00 O ATOM 663 OE2 GLU A 45 5.376 6.062 -11.995 1.00 0.00 O ATOM 0 H GLU A 45 3.795 8.839 -10.664 1.00 0.00 H new ATOM 0 HA GLU A 45 1.503 9.436 -12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.454 6.784 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.679 7.045 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.803 7.034 -13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.939 8.660 -13.038 1.00 0.00 H new ATOM 670 N LYS A 46 0.922 9.204 -9.386 1.00 0.00 N ATOM 671 CA LYS A 46 -0.122 9.082 -8.315 1.00 0.00 C ATOM 672 C LYS A 46 -0.632 7.636 -8.224 1.00 0.00 C ATOM 673 O LYS A 46 -1.784 7.349 -8.497 1.00 0.00 O ATOM 674 CB LYS A 46 -1.242 10.046 -8.725 1.00 0.00 C ATOM 675 CG LYS A 46 -0.680 11.465 -8.891 1.00 0.00 C ATOM 676 CD LYS A 46 -0.295 12.045 -7.521 1.00 0.00 C ATOM 677 CE LYS A 46 0.150 13.501 -7.686 1.00 0.00 C ATOM 678 NZ LYS A 46 -1.073 14.245 -8.118 1.00 0.00 N ATOM 0 H LYS A 46 1.756 9.720 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 46 0.270 9.330 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.695 9.714 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.029 10.044 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.192 11.445 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.422 12.104 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.144 11.989 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.509 11.456 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.542 13.900 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.944 13.587 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.037 15.216 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.114 14.272 -9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.919 13.765 -7.750 1.00 0.00 H new ATOM 692 N ASN A 47 0.222 6.716 -7.846 1.00 0.00 N ATOM 693 CA ASN A 47 -0.212 5.289 -7.747 1.00 0.00 C ATOM 694 C ASN A 47 0.817 4.470 -6.960 1.00 0.00 C ATOM 695 O ASN A 47 1.868 4.966 -6.590 1.00 0.00 O ATOM 696 CB ASN A 47 -0.294 4.808 -9.202 1.00 0.00 C ATOM 697 CG ASN A 47 -1.710 4.319 -9.501 1.00 0.00 C ATOM 698 OD1 ASN A 47 -1.964 3.134 -9.511 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.653 5.184 -9.739 1.00 0.00 N ATOM 0 H ASN A 47 1.197 6.891 -7.603 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.161 5.177 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.028 5.619 -9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.422 4.004 -9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.602 4.864 -9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.443 6.182 -9.731 1.00 0.00 H new ATOM 706 N ALA A 48 0.519 3.226 -6.693 1.00 0.00 N ATOM 707 CA ALA A 48 1.473 2.378 -5.928 1.00 0.00 C ATOM 708 C ALA A 48 1.051 0.909 -5.989 1.00 0.00 C ATOM 709 O ALA A 48 -0.117 0.588 -6.065 1.00 0.00 O ATOM 710 CB ALA A 48 1.396 2.896 -4.490 1.00 0.00 C ATOM 0 H ALA A 48 -0.345 2.762 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 48 2.484 2.432 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.073 2.320 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.683 3.947 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.377 2.790 -4.119 1.00 0.00 H new ATOM 716 N THR A 49 1.995 0.019 -5.925 1.00 0.00 N ATOM 717 CA THR A 49 1.671 -1.430 -5.940 1.00 0.00 C ATOM 718 C THR A 49 2.550 -2.133 -4.912 1.00 0.00 C ATOM 719 O THR A 49 3.659 -1.711 -4.652 1.00 0.00 O ATOM 720 CB THR A 49 1.942 -1.912 -7.373 1.00 0.00 C ATOM 721 OG1 THR A 49 0.797 -2.609 -7.852 1.00 0.00 O ATOM 722 CG2 THR A 49 3.156 -2.847 -7.409 1.00 0.00 C ATOM 0 H THR A 49 2.990 0.236 -5.862 1.00 0.00 H new ATOM 0 HA THR A 49 0.636 -1.644 -5.675 1.00 0.00 H new ATOM 0 HB THR A 49 2.150 -1.047 -8.003 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.962 -2.919 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.331 -3.177 -8.433 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.035 -2.316 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.967 -3.714 -6.776 1.00 0.00 H new ATOM 730 N ILE A 50 2.069 -3.168 -4.289 1.00 0.00 N ATOM 731 CA ILE A 50 2.906 -3.834 -3.252 1.00 0.00 C ATOM 732 C ILE A 50 2.355 -5.218 -2.893 1.00 0.00 C ATOM 733 O ILE A 50 1.167 -5.474 -2.975 1.00 0.00 O ATOM 734 CB ILE A 50 2.846 -2.872 -2.046 1.00 0.00 C ATOM 735 CG1 ILE A 50 3.220 -3.619 -0.756 1.00 0.00 C ATOM 736 CG2 ILE A 50 1.440 -2.265 -1.911 1.00 0.00 C ATOM 737 CD1 ILE A 50 1.964 -4.158 -0.063 1.00 0.00 C ATOM 0 H ILE A 50 1.149 -3.578 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 50 3.927 -4.011 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 50 3.560 -2.065 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.895 -4.442 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.754 -2.949 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.416 -1.590 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.194 -1.712 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.712 -3.063 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.249 -4.684 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.303 -3.329 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.446 -4.845 -0.732 1.00 0.00 H new ATOM 749 N ILE A 51 3.212 -6.111 -2.478 1.00 0.00 N ATOM 750 CA ILE A 51 2.756 -7.463 -2.089 1.00 0.00 C ATOM 751 C ILE A 51 2.847 -7.603 -0.572 1.00 0.00 C ATOM 752 O ILE A 51 3.467 -6.796 0.097 1.00 0.00 O ATOM 753 CB ILE A 51 3.693 -8.434 -2.807 1.00 0.00 C ATOM 754 CG1 ILE A 51 5.104 -8.316 -2.250 1.00 0.00 C ATOM 755 CG2 ILE A 51 3.714 -8.144 -4.309 1.00 0.00 C ATOM 756 CD1 ILE A 51 5.251 -9.281 -1.080 1.00 0.00 C ATOM 0 H ILE A 51 4.216 -5.954 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 51 1.720 -7.661 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 51 3.325 -9.447 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.836 -8.547 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.297 -7.294 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.386 -8.844 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.709 -8.256 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.062 -7.125 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.259 -9.206 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.526 -9.028 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.074 -10.300 -1.424 1.00 0.00 H new ATOM 768 N TYR A 52 2.195 -8.583 -0.012 1.00 0.00 N ATOM 769 CA TYR A 52 2.207 -8.706 1.473 1.00 0.00 C ATOM 770 C TYR A 52 1.783 -10.105 1.938 1.00 0.00 C ATOM 771 O TYR A 52 1.128 -10.840 1.226 1.00 0.00 O ATOM 772 CB TYR A 52 1.184 -7.649 1.925 1.00 0.00 C ATOM 773 CG TYR A 52 -0.156 -7.916 1.257 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.342 -7.634 -0.111 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.204 -8.473 1.998 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.556 -7.909 -0.720 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.432 -8.743 1.380 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.609 -8.463 0.021 1.00 0.00 C ATOM 779 OH TYR A 52 -3.816 -8.737 -0.588 1.00 0.00 O ATOM 0 H TYR A 52 1.661 -9.296 -0.510 1.00 0.00 H new ATOM 0 HA TYR A 52 3.202 -8.557 1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.073 -7.676 3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.538 -6.651 1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.464 -7.202 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.066 -8.695 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.691 -7.696 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.243 -9.168 1.953 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.888 -9.700 -0.754 1.00 0.00 H new ATOM 789 N ASP A 53 2.152 -10.464 3.139 1.00 0.00 N ATOM 790 CA ASP A 53 1.777 -11.808 3.683 1.00 0.00 C ATOM 791 C ASP A 53 0.291 -11.819 4.089 1.00 0.00 C ATOM 792 O ASP A 53 -0.092 -11.173 5.051 1.00 0.00 O ATOM 793 CB ASP A 53 2.691 -11.994 4.905 1.00 0.00 C ATOM 794 CG ASP A 53 2.864 -13.484 5.220 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.738 -14.288 4.311 1.00 0.00 O ATOM 796 OD2 ASP A 53 3.120 -13.798 6.373 1.00 0.00 O ATOM 0 H ASP A 53 2.700 -9.882 3.772 1.00 0.00 H new ATOM 0 HA ASP A 53 1.902 -12.611 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.664 -11.541 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.265 -11.480 5.767 1.00 0.00 H new ATOM 801 N PRO A 54 -0.503 -12.567 3.345 1.00 0.00 N ATOM 802 CA PRO A 54 -1.962 -12.660 3.640 1.00 0.00 C ATOM 803 C PRO A 54 -2.175 -13.367 4.981 1.00 0.00 C ATOM 804 O PRO A 54 -3.036 -13.003 5.756 1.00 0.00 O ATOM 805 CB PRO A 54 -2.512 -13.485 2.475 1.00 0.00 C ATOM 806 CG PRO A 54 -1.339 -14.266 1.980 1.00 0.00 C ATOM 807 CD PRO A 54 -0.131 -13.392 2.187 1.00 0.00 C ATOM 0 HA PRO A 54 -2.456 -11.692 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.318 -14.143 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.920 -12.844 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.238 -15.204 2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.458 -14.521 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.763 -13.983 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.078 -12.781 1.309 1.00 0.00 H new ATOM 815 N LYS A 55 -1.366 -14.356 5.269 1.00 0.00 N ATOM 816 CA LYS A 55 -1.479 -15.077 6.576 1.00 0.00 C ATOM 817 C LYS A 55 -1.064 -14.136 7.725 1.00 0.00 C ATOM 818 O LYS A 55 -1.403 -14.357 8.870 1.00 0.00 O ATOM 819 CB LYS A 55 -0.518 -16.275 6.467 1.00 0.00 C ATOM 820 CG LYS A 55 0.869 -15.796 6.014 1.00 0.00 C ATOM 821 CD LYS A 55 1.957 -16.671 6.646 1.00 0.00 C ATOM 822 CE LYS A 55 2.030 -16.401 8.152 1.00 0.00 C ATOM 823 NZ LYS A 55 3.070 -15.341 8.313 1.00 0.00 N ATOM 0 H LYS A 55 -0.628 -14.697 4.653 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.497 -15.407 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.441 -16.779 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.910 -17.003 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.941 -15.840 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.015 -14.755 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.740 -17.724 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.921 -16.461 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.067 -16.069 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.300 -17.303 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.967 -14.892 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.015 -15.768 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.953 -14.624 7.569 1.00 0.00 H new ATOM 837 N LEU A 56 -0.346 -13.078 7.415 1.00 0.00 N ATOM 838 CA LEU A 56 0.074 -12.107 8.469 1.00 0.00 C ATOM 839 C LEU A 56 -0.911 -10.930 8.501 1.00 0.00 C ATOM 840 O LEU A 56 -1.392 -10.548 9.550 1.00 0.00 O ATOM 841 CB LEU A 56 1.470 -11.638 8.047 1.00 0.00 C ATOM 842 CG LEU A 56 2.450 -11.823 9.203 1.00 0.00 C ATOM 843 CD1 LEU A 56 3.871 -11.550 8.712 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.104 -10.848 10.331 1.00 0.00 C ATOM 0 H LEU A 56 -0.034 -12.849 6.471 1.00 0.00 H new ATOM 0 HA LEU A 56 0.086 -12.546 9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.807 -12.204 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.437 -10.590 7.750 1.00 0.00 H new ATOM 0 HG LEU A 56 2.382 -12.845 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.572 -11.682 9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.119 -12.245 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.937 -10.528 8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.805 -10.982 11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.170 -9.825 9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.090 -11.042 10.682 1.00 0.00 H new ATOM 856 N GLN A 57 -1.224 -10.365 7.354 1.00 0.00 N ATOM 857 CA GLN A 57 -2.193 -9.224 7.306 1.00 0.00 C ATOM 858 C GLN A 57 -2.889 -9.167 5.933 1.00 0.00 C ATOM 859 O GLN A 57 -2.775 -10.072 5.131 1.00 0.00 O ATOM 860 CB GLN A 57 -1.355 -7.961 7.551 1.00 0.00 C ATOM 861 CG GLN A 57 -1.379 -7.604 9.046 1.00 0.00 C ATOM 862 CD GLN A 57 -2.825 -7.469 9.531 1.00 0.00 C ATOM 863 OE1 GLN A 57 -3.421 -8.423 9.980 1.00 0.00 O ATOM 864 NE2 GLN A 57 -3.420 -6.316 9.462 1.00 0.00 N ATOM 0 H GLN A 57 -0.848 -10.648 6.449 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.982 -9.328 8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.329 -8.125 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.749 -7.132 6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.865 -8.375 9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.842 -6.670 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.924 -5.508 9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.383 -6.219 9.785 1.00 0.00 H new ATOM 873 N THR A 58 -3.620 -8.116 5.660 1.00 0.00 N ATOM 874 CA THR A 58 -4.332 -8.012 4.342 1.00 0.00 C ATOM 875 C THR A 58 -4.090 -6.630 3.719 1.00 0.00 C ATOM 876 O THR A 58 -3.374 -5.821 4.282 1.00 0.00 O ATOM 877 CB THR A 58 -5.831 -8.192 4.672 1.00 0.00 C ATOM 878 OG1 THR A 58 -6.394 -6.930 5.011 1.00 0.00 O ATOM 879 CG2 THR A 58 -6.014 -9.167 5.841 1.00 0.00 C ATOM 0 H THR A 58 -3.757 -7.325 6.289 1.00 0.00 H new ATOM 0 HA THR A 58 -3.980 -8.756 3.628 1.00 0.00 H new ATOM 0 HB THR A 58 -6.337 -8.600 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.223 -7.067 5.515 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.076 -9.280 6.058 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.593 -10.137 5.575 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.503 -8.779 6.722 1.00 0.00 H new ATOM 887 N PRO A 59 -4.723 -6.375 2.588 1.00 0.00 N ATOM 888 CA PRO A 59 -4.581 -5.047 1.931 1.00 0.00 C ATOM 889 C PRO A 59 -5.268 -3.946 2.766 1.00 0.00 C ATOM 890 O PRO A 59 -5.216 -2.779 2.430 1.00 0.00 O ATOM 891 CB PRO A 59 -5.251 -5.241 0.572 1.00 0.00 C ATOM 892 CG PRO A 59 -6.199 -6.381 0.762 1.00 0.00 C ATOM 893 CD PRO A 59 -5.609 -7.271 1.823 1.00 0.00 C ATOM 0 HA PRO A 59 -3.545 -4.723 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.777 -4.339 0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.516 -5.465 -0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.182 -6.019 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.334 -6.930 -0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.383 -7.703 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.055 -8.101 1.385 1.00 0.00 H new ATOM 901 N LYS A 60 -5.866 -4.306 3.879 1.00 0.00 N ATOM 902 CA LYS A 60 -6.508 -3.295 4.768 1.00 0.00 C ATOM 903 C LYS A 60 -5.409 -2.593 5.566 1.00 0.00 C ATOM 904 O LYS A 60 -5.488 -1.418 5.856 1.00 0.00 O ATOM 905 CB LYS A 60 -7.419 -4.107 5.696 1.00 0.00 C ATOM 906 CG LYS A 60 -8.576 -3.236 6.178 1.00 0.00 C ATOM 907 CD LYS A 60 -8.190 -2.543 7.489 1.00 0.00 C ATOM 908 CE LYS A 60 -8.391 -1.029 7.353 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.836 -0.791 7.656 1.00 0.00 N ATOM 0 H LYS A 60 -5.935 -5.269 4.209 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.072 -2.534 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.804 -4.980 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.849 -4.475 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.823 -2.492 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.466 -3.847 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.798 -2.928 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.151 -2.761 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.750 -0.484 8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.139 -0.688 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.044 0.225 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.424 -1.315 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.047 -1.117 8.621 1.00 0.00 H new ATOM 923 N THR A 61 -4.354 -3.315 5.857 1.00 0.00 N ATOM 924 CA THR A 61 -3.189 -2.742 6.582 1.00 0.00 C ATOM 925 C THR A 61 -2.376 -1.928 5.579 1.00 0.00 C ATOM 926 O THR A 61 -1.691 -0.985 5.922 1.00 0.00 O ATOM 927 CB THR A 61 -2.437 -3.969 7.113 1.00 0.00 C ATOM 928 OG1 THR A 61 -2.709 -4.117 8.501 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.937 -3.813 6.905 1.00 0.00 C ATOM 0 H THR A 61 -4.255 -4.301 5.614 1.00 0.00 H new ATOM 0 HA THR A 61 -3.436 -2.071 7.404 1.00 0.00 H new ATOM 0 HB THR A 61 -2.773 -4.851 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.552 -3.668 8.719 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.423 -4.694 7.289 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.727 -3.705 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.586 -2.928 7.436 1.00 0.00 H new ATOM 937 N LEU A 62 -2.527 -2.253 4.319 1.00 0.00 N ATOM 938 CA LEU A 62 -1.854 -1.462 3.257 1.00 0.00 C ATOM 939 C LEU A 62 -2.646 -0.153 3.135 1.00 0.00 C ATOM 940 O LEU A 62 -2.116 0.896 2.818 1.00 0.00 O ATOM 941 CB LEU A 62 -1.975 -2.310 1.975 1.00 0.00 C ATOM 942 CG LEU A 62 -0.831 -3.336 1.879 1.00 0.00 C ATOM 943 CD1 LEU A 62 -0.853 -4.270 3.088 1.00 0.00 C ATOM 944 CD2 LEU A 62 -1.009 -4.176 0.612 1.00 0.00 C ATOM 0 H LEU A 62 -3.090 -3.035 3.985 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.807 -1.232 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.934 -2.828 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.958 -1.658 1.101 1.00 0.00 H new ATOM 0 HG LEU A 62 0.118 -2.800 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.039 -4.990 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.732 -3.687 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.805 -4.801 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.200 -4.903 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.965 -4.699 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.989 -3.525 -0.262 1.00 0.00 H new ATOM 956 N GLN A 63 -3.916 -0.218 3.470 1.00 0.00 N ATOM 957 CA GLN A 63 -4.778 1.002 3.465 1.00 0.00 C ATOM 958 C GLN A 63 -4.619 1.683 4.824 1.00 0.00 C ATOM 959 O GLN A 63 -4.750 2.879 4.954 1.00 0.00 O ATOM 960 CB GLN A 63 -6.216 0.494 3.282 1.00 0.00 C ATOM 961 CG GLN A 63 -6.703 0.786 1.858 1.00 0.00 C ATOM 962 CD GLN A 63 -6.795 2.298 1.636 1.00 0.00 C ATOM 963 OE1 GLN A 63 -5.828 2.926 1.264 1.00 0.00 O ATOM 964 NE2 GLN A 63 -7.924 2.911 1.845 1.00 0.00 N ATOM 0 H GLN A 63 -4.393 -1.075 3.749 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.519 1.714 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.258 -0.578 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.874 0.975 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.019 0.345 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.678 0.326 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.740 2.385 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.993 3.918 1.696 1.00 0.00 H new ATOM 973 N GLU A 64 -4.279 0.911 5.825 1.00 0.00 N ATOM 974 CA GLU A 64 -4.049 1.473 7.188 1.00 0.00 C ATOM 975 C GLU A 64 -2.731 2.230 7.172 1.00 0.00 C ATOM 976 O GLU A 64 -2.520 3.156 7.921 1.00 0.00 O ATOM 977 CB GLU A 64 -3.945 0.262 8.131 1.00 0.00 C ATOM 978 CG GLU A 64 -5.341 -0.250 8.506 1.00 0.00 C ATOM 979 CD GLU A 64 -5.215 -1.525 9.351 1.00 0.00 C ATOM 980 OE1 GLU A 64 -5.106 -2.596 8.770 1.00 0.00 O ATOM 981 OE2 GLU A 64 -5.230 -1.409 10.561 1.00 0.00 O ATOM 0 H GLU A 64 -4.150 -0.098 5.753 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.843 2.150 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.377 -0.534 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.400 0.542 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.882 0.515 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.918 -0.455 7.604 1.00 0.00 H new ATOM 988 N ALA A 65 -1.861 1.850 6.277 1.00 0.00 N ATOM 989 CA ALA A 65 -0.545 2.550 6.156 1.00 0.00 C ATOM 990 C ALA A 65 -0.698 3.702 5.174 1.00 0.00 C ATOM 991 O ALA A 65 0.013 4.692 5.230 1.00 0.00 O ATOM 992 CB ALA A 65 0.435 1.506 5.618 1.00 0.00 C ATOM 0 H ALA A 65 -2.003 1.082 5.621 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.193 2.957 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.421 1.956 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.495 0.670 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.088 1.147 4.649 1.00 0.00 H new ATOM 998 N ILE A 66 -1.655 3.591 4.293 1.00 0.00 N ATOM 999 CA ILE A 66 -1.895 4.690 3.316 1.00 0.00 C ATOM 1000 C ILE A 66 -2.857 5.689 3.942 1.00 0.00 C ATOM 1001 O ILE A 66 -2.718 6.893 3.784 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.515 4.016 2.085 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.432 3.263 1.301 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -3.161 5.072 1.183 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -0.447 4.253 0.677 1.00 0.00 C ATOM 0 H ILE A 66 -2.279 2.789 4.208 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.988 5.229 3.042 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.277 3.310 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.901 2.580 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.893 2.657 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.599 4.587 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.940 5.596 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.404 5.786 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.317 3.707 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.981 4.918 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.026 4.840 1.464 1.00 0.00 H new ATOM 1017 N ASP A 67 -3.811 5.202 4.690 1.00 0.00 N ATOM 1018 CA ASP A 67 -4.757 6.133 5.363 1.00 0.00 C ATOM 1019 C ASP A 67 -4.038 6.790 6.549 1.00 0.00 C ATOM 1020 O ASP A 67 -4.341 7.904 6.931 1.00 0.00 O ATOM 1021 CB ASP A 67 -5.925 5.263 5.831 1.00 0.00 C ATOM 1022 CG ASP A 67 -7.145 6.142 6.104 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -7.595 6.802 5.181 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.607 6.140 7.232 1.00 0.00 O ATOM 0 H ASP A 67 -3.974 4.210 4.862 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.112 6.931 4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.164 4.519 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.647 4.719 6.734 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.062 6.108 7.117 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.299 6.696 8.264 1.00 0.00 C ATOM 1031 C ASP A 68 -1.299 7.747 7.752 1.00 0.00 C ATOM 1032 O ASP A 68 -1.105 8.775 8.372 1.00 0.00 O ATOM 1033 CB ASP A 68 -1.569 5.508 8.907 1.00 0.00 C ATOM 1034 CG ASP A 68 -0.526 5.999 9.913 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -0.908 6.315 11.028 1.00 0.00 O ATOM 1036 OD2 ASP A 68 0.637 6.044 9.552 1.00 0.00 O ATOM 0 H ASP A 68 -2.765 5.174 6.834 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.947 7.204 8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.288 4.860 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.085 4.910 8.135 1.00 0.00 H new ATOM 1041 N MET A 69 -0.666 7.509 6.624 1.00 0.00 N ATOM 1042 CA MET A 69 0.308 8.520 6.107 1.00 0.00 C ATOM 1043 C MET A 69 -0.424 9.801 5.678 1.00 0.00 C ATOM 1044 O MET A 69 0.078 10.894 5.862 1.00 0.00 O ATOM 1045 CB MET A 69 1.016 7.850 4.927 1.00 0.00 C ATOM 1046 CG MET A 69 2.256 7.109 5.441 1.00 0.00 C ATOM 1047 SD MET A 69 3.192 8.203 6.544 1.00 0.00 S ATOM 1048 CE MET A 69 4.661 7.164 6.731 1.00 0.00 C ATOM 0 H MET A 69 -0.780 6.673 6.050 1.00 0.00 H new ATOM 0 HA MET A 69 1.027 8.822 6.869 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.341 7.153 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.304 8.597 4.188 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.959 6.205 5.972 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.880 6.797 4.604 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.253 7.519 7.575 1.00 0.00 H new ATOM 0 HE2 MET A 69 4.357 6.133 6.909 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.260 7.214 5.822 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.612 9.683 5.129 1.00 0.00 N ATOM 1059 CA GLY A 70 -2.375 10.906 4.718 1.00 0.00 C ATOM 1060 C GLY A 70 -2.363 11.065 3.198 1.00 0.00 C ATOM 1061 O GLY A 70 -2.076 12.130 2.684 1.00 0.00 O ATOM 0 H GLY A 70 -2.084 8.797 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.403 10.836 5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.936 11.788 5.184 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.673 10.023 2.473 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.680 10.119 0.982 1.00 0.00 C ATOM 1067 C PHE A 71 -3.994 9.553 0.425 1.00 0.00 C ATOM 1068 O PHE A 71 -4.266 8.376 0.560 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.483 9.272 0.533 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.196 10.038 0.777 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.206 11.034 -0.121 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.594 9.753 1.902 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.392 11.745 0.103 1.00 0.00 C ATOM 1074 CE2 PHE A 71 1.782 10.464 2.122 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.180 11.459 1.224 1.00 0.00 C ATOM 0 H PHE A 71 -2.922 9.108 2.849 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.606 11.146 0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.466 8.329 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.576 9.025 -0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.399 11.255 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.287 8.986 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.699 12.515 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.391 10.243 2.986 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.095 12.007 1.395 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.811 10.382 -0.185 1.00 0.00 N ATOM 1086 CA ASP A 72 -6.118 9.897 -0.744 1.00 0.00 C ATOM 1087 C ASP A 72 -5.912 8.622 -1.579 1.00 0.00 C ATOM 1088 O ASP A 72 -5.348 8.660 -2.662 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.633 11.046 -1.624 1.00 0.00 C ATOM 1090 CG ASP A 72 -8.096 10.791 -1.999 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -8.331 9.957 -2.858 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -8.955 11.436 -1.425 1.00 0.00 O ATOM 0 H ASP A 72 -4.629 11.376 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.827 9.641 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.543 11.993 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.025 11.128 -2.525 1.00 0.00 H new ATOM 1097 N ALA A 73 -6.339 7.490 -1.071 1.00 0.00 N ATOM 1098 CA ALA A 73 -6.144 6.219 -1.829 1.00 0.00 C ATOM 1099 C ALA A 73 -7.473 5.634 -2.343 1.00 0.00 C ATOM 1100 O ALA A 73 -8.547 5.996 -1.909 1.00 0.00 O ATOM 1101 CB ALA A 73 -5.490 5.276 -0.824 1.00 0.00 C ATOM 0 H ALA A 73 -6.810 7.394 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.539 6.376 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.308 4.310 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.543 5.700 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.151 5.142 0.033 1.00 0.00 H new ATOM 1107 N VAL A 74 -7.373 4.713 -3.266 1.00 0.00 N ATOM 1108 CA VAL A 74 -8.564 4.037 -3.866 1.00 0.00 C ATOM 1109 C VAL A 74 -8.015 2.856 -4.675 1.00 0.00 C ATOM 1110 O VAL A 74 -7.366 3.036 -5.700 1.00 0.00 O ATOM 1111 CB VAL A 74 -9.244 5.106 -4.751 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -9.628 4.525 -6.116 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -10.512 5.604 -4.053 1.00 0.00 C ATOM 0 H VAL A 74 -6.482 4.390 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.294 3.655 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.542 5.926 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.105 5.298 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.732 4.168 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.321 3.695 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.996 6.359 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.195 4.768 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.249 6.040 -3.089 1.00 0.00 H new ATOM 1123 N ILE A 75 -8.138 1.661 -4.157 1.00 0.00 N ATOM 1124 CA ILE A 75 -7.511 0.504 -4.860 1.00 0.00 C ATOM 1125 C ILE A 75 -8.146 -0.855 -4.502 1.00 0.00 C ATOM 1126 O ILE A 75 -9.354 -0.972 -4.437 1.00 0.00 O ATOM 1127 CB ILE A 75 -6.041 0.534 -4.456 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -5.717 1.702 -3.468 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -5.251 0.641 -5.762 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -5.503 1.127 -2.065 1.00 0.00 C ATOM 0 H ILE A 75 -8.635 1.439 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.658 0.600 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.769 -0.367 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.825 2.235 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.534 2.424 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.184 0.667 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.470 -0.221 -6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.535 1.554 -6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.277 1.936 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.408 0.613 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.672 0.422 -2.084 1.00 0.00 H new