USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 528 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 31 SER OG : rot 70:sc= 1.01 USER MOD Set 1.2: A 60 TYR OH : rot 58:sc= 0.374 USER MOD Set 2.1: A 51 MET CE :methyl -165:sc= -0.0539 (180deg=-0.351) USER MOD Set 2.2: A 55 GLN : amide:sc= -0.535 X(o=-0.59,f=-0.29) USER MOD Set 3.1: A 15 ASN : amide:sc= -0.303 K(o=-0.61,f=0.42) USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= -0.302 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc=-0.00528 (180deg=-0.0802) USER MOD Single : A 6 GLN : amide:sc= -1.94! C(o=-1.9!,f=-5.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -99:sc= 1.22 USER MOD Single : A 13 ASN : amide:sc= 0.666 K(o=0.67,f=-0.92) USER MOD Single : A 16 SER OG : rot -19:sc= 1.17 USER MOD Single : A 17 TYR OH : rot -162:sc= 1.02 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0335 (180deg=-0.235) USER MOD Single : A 21 SER OG : rot 180:sc=-0.000823 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 1.06 (180deg=0.892) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 25 GLN : amide:sc= -0.195 K(o=-0.2,f=-2.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 41 THR OG1 : rot -17:sc= 1.16 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 64 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 10.486 8.204 6.133 1.00 0.00 N ATOM 71 CA LYS A 5 9.222 7.773 6.724 1.00 0.00 C ATOM 72 C LYS A 5 8.231 7.341 5.647 1.00 0.00 C ATOM 73 O LYS A 5 7.617 6.281 5.754 1.00 0.00 O ATOM 74 CB LYS A 5 8.616 8.891 7.581 1.00 0.00 C ATOM 75 CG LYS A 5 7.378 8.464 8.356 1.00 0.00 C ATOM 76 CD LYS A 5 7.705 7.402 9.396 1.00 0.00 C ATOM 77 CE LYS A 5 6.449 6.844 10.053 1.00 0.00 C ATOM 78 NZ LYS A 5 5.625 7.905 10.697 1.00 0.00 N ATOM 0 HA LYS A 5 9.429 6.915 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.369 9.247 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.359 9.732 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.939 9.332 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.630 8.078 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.259 6.590 8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.355 7.830 10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.849 6.327 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.732 6.104 10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.847 7.465 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.219 8.460 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.233 8.532 9.966 1.00 0.00 H new ATOM 92 N GLN A 6 8.091 8.161 4.609 1.00 0.00 N ATOM 93 CA GLN A 6 7.183 7.866 3.504 1.00 0.00 C ATOM 94 C GLN A 6 7.525 6.518 2.880 1.00 0.00 C ATOM 95 O GLN A 6 6.647 5.699 2.608 1.00 0.00 O ATOM 96 CB GLN A 6 7.253 8.960 2.429 1.00 0.00 C ATOM 97 CG GLN A 6 6.921 10.365 2.920 1.00 0.00 C ATOM 98 CD GLN A 6 8.060 11.008 3.686 1.00 0.00 C ATOM 99 OE1 GLN A 6 8.157 10.885 4.905 1.00 0.00 O ATOM 100 NE2 GLN A 6 8.941 11.686 2.972 1.00 0.00 N ATOM 0 H GLN A 6 8.598 9.040 4.510 1.00 0.00 H new ATOM 0 HA GLN A 6 6.170 7.832 3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.257 8.967 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.567 8.701 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.665 10.992 2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.039 10.322 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.826 11.765 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.736 12.130 3.431 1.00 0.00 H new ATOM 109 N LYS A 7 8.816 6.296 2.677 1.00 0.00 N ATOM 110 CA LYS A 7 9.311 5.050 2.106 1.00 0.00 C ATOM 111 C LYS A 7 8.963 3.869 3.002 1.00 0.00 C ATOM 112 O LYS A 7 8.576 2.806 2.521 1.00 0.00 O ATOM 113 CB LYS A 7 10.825 5.127 1.916 1.00 0.00 C ATOM 114 CG LYS A 7 11.262 6.219 0.956 1.00 0.00 C ATOM 115 CD LYS A 7 12.760 6.447 1.025 1.00 0.00 C ATOM 116 CE LYS A 7 13.203 7.531 0.057 1.00 0.00 C ATOM 117 NZ LYS A 7 14.617 7.930 0.281 1.00 0.00 N ATOM 0 H LYS A 7 9.547 6.971 2.902 1.00 0.00 H new ATOM 0 HA LYS A 7 8.833 4.903 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.296 5.296 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.186 4.166 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.980 5.946 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.740 7.146 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.040 6.728 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.282 5.518 0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.084 7.175 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.558 8.403 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.880 8.671 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.726 8.294 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.236 7.104 0.150 1.00 0.00 H new ATOM 131 N ALA A 8 9.099 4.068 4.308 1.00 0.00 N ATOM 132 CA ALA A 8 8.795 3.028 5.279 1.00 0.00 C ATOM 133 C ALA A 8 7.309 2.694 5.274 1.00 0.00 C ATOM 134 O ALA A 8 6.932 1.529 5.216 1.00 0.00 O ATOM 135 CB ALA A 8 9.240 3.457 6.672 1.00 0.00 C ATOM 0 H ALA A 8 9.419 4.945 4.719 1.00 0.00 H new ATOM 0 HA ALA A 8 9.344 2.129 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.006 2.669 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.315 3.639 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.718 4.371 6.955 1.00 0.00 H new ATOM 141 N ILE A 9 6.470 3.723 5.311 1.00 0.00 N ATOM 142 CA ILE A 9 5.023 3.531 5.332 1.00 0.00 C ATOM 143 C ILE A 9 4.553 2.787 4.084 1.00 0.00 C ATOM 144 O ILE A 9 3.816 1.802 4.175 1.00 0.00 O ATOM 145 CB ILE A 9 4.269 4.879 5.436 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.702 5.633 6.695 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.766 4.649 5.446 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.061 6.995 6.837 1.00 0.00 C ATOM 0 H ILE A 9 6.766 4.699 5.327 1.00 0.00 H new ATOM 0 HA ILE A 9 4.796 2.935 6.216 1.00 0.00 H new ATOM 0 HB ILE A 9 4.519 5.484 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.456 5.032 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.786 5.750 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.252 5.607 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.469 4.147 4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.499 4.027 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.415 7.470 7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.328 7.614 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.978 6.884 6.881 1.00 0.00 H new ATOM 160 N PHE A 10 5.001 3.255 2.922 1.00 0.00 N ATOM 161 CA PHE A 10 4.622 2.648 1.649 1.00 0.00 C ATOM 162 C PHE A 10 5.035 1.179 1.595 1.00 0.00 C ATOM 163 O PHE A 10 4.231 0.312 1.248 1.00 0.00 O ATOM 164 CB PHE A 10 5.255 3.420 0.485 1.00 0.00 C ATOM 165 CG PHE A 10 4.963 2.829 -0.866 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.708 2.961 -1.439 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.946 2.142 -1.563 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.438 2.418 -2.681 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.682 1.597 -2.805 1.00 0.00 C ATOM 170 CZ PHE A 10 4.426 1.735 -3.365 1.00 0.00 C ATOM 0 H PHE A 10 5.628 4.055 2.836 1.00 0.00 H new ATOM 0 HA PHE A 10 3.537 2.697 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.896 4.449 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.335 3.456 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.932 3.494 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.929 2.032 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.456 2.527 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.456 1.064 -3.337 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.217 1.310 -4.336 1.00 0.00 H new ATOM 180 N SER A 11 6.284 0.902 1.952 1.00 0.00 N ATOM 181 CA SER A 11 6.799 -0.457 1.904 1.00 0.00 C ATOM 182 C SER A 11 6.088 -1.353 2.910 1.00 0.00 C ATOM 183 O SER A 11 5.736 -2.483 2.591 1.00 0.00 O ATOM 184 CB SER A 11 8.308 -0.472 2.147 1.00 0.00 C ATOM 185 OG SER A 11 8.653 0.269 3.305 1.00 0.00 O ATOM 0 H SER A 11 6.955 1.599 2.276 1.00 0.00 H new ATOM 0 HA SER A 11 6.604 -0.851 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.650 -1.501 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.822 -0.056 1.280 1.00 0.00 H new ATOM 0 HG SER A 11 8.958 1.163 3.043 1.00 0.00 H new ATOM 191 N GLU A 12 5.856 -0.839 4.115 1.00 0.00 N ATOM 192 CA GLU A 12 5.192 -1.589 5.153 1.00 0.00 C ATOM 193 C GLU A 12 3.819 -2.068 4.700 1.00 0.00 C ATOM 194 O GLU A 12 3.465 -3.232 4.898 1.00 0.00 O ATOM 195 CB GLU A 12 5.068 -0.717 6.390 1.00 0.00 C ATOM 196 CG GLU A 12 6.271 -0.790 7.313 1.00 0.00 C ATOM 197 CD GLU A 12 6.513 -2.190 7.830 1.00 0.00 C ATOM 198 OE1 GLU A 12 5.797 -2.614 8.762 1.00 0.00 O ATOM 199 OE2 GLU A 12 7.422 -2.871 7.314 1.00 0.00 O ATOM 0 H GLU A 12 6.125 0.106 4.389 1.00 0.00 H new ATOM 0 HA GLU A 12 5.785 -2.474 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.921 0.318 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.178 -1.013 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.157 -0.444 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.121 -0.115 8.155 1.00 0.00 H new ATOM 206 N ASN A 13 3.055 -1.175 4.086 1.00 0.00 N ATOM 207 CA ASN A 13 1.743 -1.532 3.570 1.00 0.00 C ATOM 208 C ASN A 13 1.871 -2.529 2.428 1.00 0.00 C ATOM 209 O ASN A 13 1.353 -3.642 2.505 1.00 0.00 O ATOM 210 CB ASN A 13 0.988 -0.291 3.081 1.00 0.00 C ATOM 211 CG ASN A 13 0.571 0.631 4.208 1.00 0.00 C ATOM 212 OD1 ASN A 13 0.345 0.196 5.338 1.00 0.00 O ATOM 213 ND2 ASN A 13 0.471 1.916 3.909 1.00 0.00 N ATOM 0 H ASN A 13 3.321 -0.202 3.934 1.00 0.00 H new ATOM 0 HA ASN A 13 1.180 -1.988 4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.619 0.260 2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.102 -0.606 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.198 2.587 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.667 2.236 2.960 1.00 0.00 H new ATOM 220 N LEU A 14 2.606 -2.135 1.393 1.00 0.00 N ATOM 221 CA LEU A 14 2.748 -2.942 0.184 1.00 0.00 C ATOM 222 C LEU A 14 3.255 -4.345 0.513 1.00 0.00 C ATOM 223 O LEU A 14 2.714 -5.340 0.032 1.00 0.00 O ATOM 224 CB LEU A 14 3.712 -2.255 -0.789 1.00 0.00 C ATOM 225 CG LEU A 14 3.888 -2.945 -2.144 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.585 -2.929 -2.930 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.001 -2.274 -2.936 1.00 0.00 C ATOM 0 H LEU A 14 3.118 -1.253 1.367 1.00 0.00 H new ATOM 0 HA LEU A 14 1.766 -3.036 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.361 -1.238 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.689 -2.178 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 14 4.164 -3.985 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.733 -3.424 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.813 -3.453 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.274 -1.898 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.116 -2.774 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.750 -1.226 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.935 -2.340 -2.379 1.00 0.00 H new ATOM 239 N ASN A 15 4.276 -4.409 1.355 1.00 0.00 N ATOM 240 CA ASN A 15 4.920 -5.669 1.703 1.00 0.00 C ATOM 241 C ASN A 15 3.947 -6.588 2.436 1.00 0.00 C ATOM 242 O ASN A 15 3.879 -7.779 2.151 1.00 0.00 O ATOM 243 CB ASN A 15 6.153 -5.395 2.573 1.00 0.00 C ATOM 244 CG ASN A 15 7.163 -6.528 2.583 1.00 0.00 C ATOM 245 OD1 ASN A 15 6.818 -7.705 2.502 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.436 -6.168 2.670 1.00 0.00 N ATOM 0 H ASN A 15 4.681 -3.593 1.815 1.00 0.00 H new ATOM 0 HA ASN A 15 5.232 -6.169 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.642 -4.488 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.828 -5.202 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.168 -6.878 2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.683 -5.181 2.736 1.00 0.00 H new ATOM 253 N SER A 16 3.170 -6.025 3.360 1.00 0.00 N ATOM 254 CA SER A 16 2.262 -6.830 4.173 1.00 0.00 C ATOM 255 C SER A 16 1.149 -7.463 3.332 1.00 0.00 C ATOM 256 O SER A 16 0.738 -8.594 3.597 1.00 0.00 O ATOM 257 CB SER A 16 1.671 -6.001 5.320 1.00 0.00 C ATOM 258 OG SER A 16 0.938 -4.880 4.848 1.00 0.00 O ATOM 0 H SER A 16 3.151 -5.026 3.563 1.00 0.00 H new ATOM 0 HA SER A 16 2.849 -7.642 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.018 -6.632 5.924 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.475 -5.659 5.971 1.00 0.00 H new ATOM 0 HG SER A 16 1.202 -4.682 3.925 1.00 0.00 H new ATOM 264 N TYR A 17 0.675 -6.748 2.312 1.00 0.00 N ATOM 265 CA TYR A 17 -0.365 -7.284 1.440 1.00 0.00 C ATOM 266 C TYR A 17 0.207 -8.393 0.573 1.00 0.00 C ATOM 267 O TYR A 17 -0.354 -9.485 0.485 1.00 0.00 O ATOM 268 CB TYR A 17 -0.958 -6.194 0.537 1.00 0.00 C ATOM 269 CG TYR A 17 -1.485 -4.975 1.267 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.344 -5.095 2.354 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.124 -3.697 0.858 1.00 0.00 C ATOM 272 CE1 TYR A 17 -2.825 -3.974 3.010 1.00 0.00 C ATOM 273 CE2 TYR A 17 -1.600 -2.575 1.509 1.00 0.00 C ATOM 274 CZ TYR A 17 -2.449 -2.716 2.583 1.00 0.00 C ATOM 275 OH TYR A 17 -2.918 -1.596 3.234 1.00 0.00 O ATOM 0 H TYR A 17 0.991 -5.808 2.072 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.159 -7.677 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.193 -5.873 -0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.770 -6.628 -0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.641 -6.077 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.459 -3.578 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.492 -4.084 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.307 -1.590 1.176 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.798 -0.810 2.661 1.00 0.00 H new ATOM 285 N ILE A 18 1.344 -8.107 -0.050 1.00 0.00 N ATOM 286 CA ILE A 18 1.998 -9.053 -0.945 1.00 0.00 C ATOM 287 C ILE A 18 2.446 -10.307 -0.195 1.00 0.00 C ATOM 288 O ILE A 18 2.182 -11.424 -0.632 1.00 0.00 O ATOM 289 CB ILE A 18 3.206 -8.394 -1.646 1.00 0.00 C ATOM 290 CG1 ILE A 18 2.720 -7.326 -2.630 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.077 -9.429 -2.353 1.00 0.00 C ATOM 292 CD1 ILE A 18 3.835 -6.489 -3.218 1.00 0.00 C ATOM 0 H ILE A 18 1.836 -7.219 0.050 1.00 0.00 H new ATOM 0 HA ILE A 18 1.271 -9.349 -1.701 1.00 0.00 H new ATOM 0 HB ILE A 18 3.824 -7.918 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.176 -7.812 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.014 -6.669 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.917 -8.929 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.452 -10.148 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.485 -9.950 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.415 -5.755 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.365 -5.974 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.529 -7.134 -3.756 1.00 0.00 H new ATOM 304 N ALA A 19 3.092 -10.114 0.949 1.00 0.00 N ATOM 305 CA ALA A 19 3.627 -11.226 1.726 1.00 0.00 C ATOM 306 C ALA A 19 2.523 -12.010 2.430 1.00 0.00 C ATOM 307 O ALA A 19 2.776 -13.080 2.989 1.00 0.00 O ATOM 308 CB ALA A 19 4.647 -10.723 2.735 1.00 0.00 C ATOM 0 H ALA A 19 3.258 -9.195 1.360 1.00 0.00 H new ATOM 0 HA ALA A 19 4.119 -11.906 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.038 -11.564 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.465 -10.230 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.170 -10.014 3.412 1.00 0.00 H new ATOM 314 N LYS A 20 1.304 -11.479 2.423 1.00 0.00 N ATOM 315 CA LYS A 20 0.173 -12.208 2.976 1.00 0.00 C ATOM 316 C LYS A 20 -0.209 -13.337 2.031 1.00 0.00 C ATOM 317 O LYS A 20 -0.632 -14.412 2.457 1.00 0.00 O ATOM 318 CB LYS A 20 -1.026 -11.284 3.175 1.00 0.00 C ATOM 319 CG LYS A 20 -2.122 -11.892 4.039 1.00 0.00 C ATOM 320 CD LYS A 20 -3.393 -11.061 4.004 1.00 0.00 C ATOM 321 CE LYS A 20 -4.065 -11.133 2.643 1.00 0.00 C ATOM 322 NZ LYS A 20 -4.579 -12.499 2.341 1.00 0.00 N ATOM 0 H LYS A 20 1.078 -10.559 2.045 1.00 0.00 H new ATOM 0 HA LYS A 20 0.461 -12.613 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.687 -10.355 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.442 -11.027 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.339 -12.903 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.770 -11.975 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.082 -11.415 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.158 -10.023 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.889 -10.421 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.354 -10.835 1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.240 -12.452 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.784 -13.123 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.072 -12.876 3.175 1.00 0.00 H new ATOM 336 N SER A 21 -0.049 -13.074 0.747 1.00 0.00 N ATOM 337 CA SER A 21 -0.341 -14.051 -0.283 1.00 0.00 C ATOM 338 C SER A 21 0.844 -15.005 -0.441 1.00 0.00 C ATOM 339 O SER A 21 1.922 -14.765 0.107 1.00 0.00 O ATOM 340 CB SER A 21 -0.644 -13.337 -1.606 1.00 0.00 C ATOM 341 OG SER A 21 -1.171 -14.229 -2.576 1.00 0.00 O ATOM 0 H SER A 21 0.286 -12.179 0.390 1.00 0.00 H new ATOM 0 HA SER A 21 -1.217 -14.632 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.355 -12.530 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.268 -12.880 -1.990 1.00 0.00 H new ATOM 0 HG SER A 21 -1.354 -13.740 -3.405 1.00 0.00 H new ATOM 347 N GLU A 22 0.645 -16.081 -1.188 1.00 0.00 N ATOM 348 CA GLU A 22 1.694 -17.072 -1.392 1.00 0.00 C ATOM 349 C GLU A 22 2.361 -16.883 -2.751 1.00 0.00 C ATOM 350 O GLU A 22 3.039 -17.778 -3.260 1.00 0.00 O ATOM 351 CB GLU A 22 1.119 -18.484 -1.262 1.00 0.00 C ATOM 352 CG GLU A 22 -0.074 -18.755 -2.166 1.00 0.00 C ATOM 353 CD GLU A 22 -0.602 -20.166 -2.012 1.00 0.00 C ATOM 354 OE1 GLU A 22 -0.077 -21.079 -2.686 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.540 -20.372 -1.216 1.00 0.00 O ATOM 0 H GLU A 22 -0.233 -16.291 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 22 2.454 -16.935 -0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.904 -19.206 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.822 -18.650 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.869 -18.045 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.214 -18.588 -3.204 1.00 0.00 H new ATOM 362 N LYS A 23 2.182 -15.703 -3.321 1.00 0.00 N ATOM 363 CA LYS A 23 2.748 -15.385 -4.621 1.00 0.00 C ATOM 364 C LYS A 23 4.142 -14.788 -4.467 1.00 0.00 C ATOM 365 O LYS A 23 4.497 -14.287 -3.400 1.00 0.00 O ATOM 366 CB LYS A 23 1.835 -14.409 -5.369 1.00 0.00 C ATOM 367 CG LYS A 23 1.347 -14.937 -6.706 1.00 0.00 C ATOM 368 CD LYS A 23 0.630 -16.267 -6.549 1.00 0.00 C ATOM 369 CE LYS A 23 0.061 -16.757 -7.871 1.00 0.00 C ATOM 370 NZ LYS A 23 1.096 -16.849 -8.934 1.00 0.00 N ATOM 0 H LYS A 23 1.645 -14.945 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 23 2.829 -16.306 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.973 -14.178 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.371 -13.474 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.674 -14.211 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.193 -15.056 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.323 -17.010 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.175 -16.163 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.395 -17.736 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.730 -16.081 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.697 -17.328 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.406 -15.893 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.910 -17.391 -8.580 1.00 0.00 H new ATOM 384 N THR A 24 4.923 -14.851 -5.533 1.00 0.00 N ATOM 385 CA THR A 24 6.278 -14.331 -5.518 1.00 0.00 C ATOM 386 C THR A 24 6.316 -12.914 -6.075 1.00 0.00 C ATOM 387 O THR A 24 5.451 -12.528 -6.871 1.00 0.00 O ATOM 388 CB THR A 24 7.223 -15.225 -6.345 1.00 0.00 C ATOM 389 OG1 THR A 24 6.717 -15.369 -7.683 1.00 0.00 O ATOM 390 CG2 THR A 24 7.375 -16.596 -5.698 1.00 0.00 C ATOM 0 H THR A 24 4.639 -15.260 -6.423 1.00 0.00 H new ATOM 0 HA THR A 24 6.614 -14.322 -4.481 1.00 0.00 H new ATOM 0 HB THR A 24 8.203 -14.749 -6.380 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.324 -15.937 -8.203 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.046 -17.210 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.788 -16.482 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.400 -17.079 -5.636 1.00 0.00 H new ATOM 398 N GLN A 25 7.312 -12.138 -5.651 1.00 0.00 N ATOM 399 CA GLN A 25 7.515 -10.794 -6.182 1.00 0.00 C ATOM 400 C GLN A 25 7.709 -10.865 -7.688 1.00 0.00 C ATOM 401 O GLN A 25 7.190 -10.042 -8.440 1.00 0.00 O ATOM 402 CB GLN A 25 8.751 -10.126 -5.568 1.00 0.00 C ATOM 403 CG GLN A 25 8.769 -10.076 -4.048 1.00 0.00 C ATOM 404 CD GLN A 25 9.398 -11.316 -3.439 1.00 0.00 C ATOM 405 OE1 GLN A 25 8.715 -12.294 -3.137 1.00 0.00 O ATOM 406 NE2 GLN A 25 10.713 -11.289 -3.269 1.00 0.00 N ATOM 0 H GLN A 25 7.990 -12.418 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 25 6.634 -10.204 -5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.639 -10.658 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.822 -9.108 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.320 -9.194 -3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.749 -9.969 -3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.244 -10.459 -3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.193 -12.098 -2.875 1.00 0.00 H new ATOM 415 N LEU A 26 8.466 -11.873 -8.104 1.00 0.00 N ATOM 416 CA LEU A 26 8.779 -12.102 -9.509 1.00 0.00 C ATOM 417 C LEU A 26 7.506 -12.243 -10.349 1.00 0.00 C ATOM 418 O LEU A 26 7.385 -11.633 -11.411 1.00 0.00 O ATOM 419 CB LEU A 26 9.648 -13.361 -9.637 1.00 0.00 C ATOM 420 CG LEU A 26 10.900 -13.216 -10.508 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.795 -14.435 -10.362 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.519 -13.011 -11.965 1.00 0.00 C ATOM 0 H LEU A 26 8.882 -12.558 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 26 9.327 -11.240 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.956 -13.671 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.034 -14.164 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 26 11.451 -12.339 -10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.679 -14.314 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.099 -14.540 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.250 -15.326 -10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.422 -12.910 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.944 -13.868 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.917 -12.107 -12.060 1.00 0.00 H new ATOM 434 N GLU A 27 6.555 -13.033 -9.862 1.00 0.00 N ATOM 435 CA GLU A 27 5.305 -13.264 -10.569 1.00 0.00 C ATOM 436 C GLU A 27 4.503 -11.968 -10.694 1.00 0.00 C ATOM 437 O GLU A 27 3.980 -11.644 -11.764 1.00 0.00 O ATOM 438 CB GLU A 27 4.505 -14.321 -9.811 1.00 0.00 C ATOM 439 CG GLU A 27 3.637 -15.205 -10.682 1.00 0.00 C ATOM 440 CD GLU A 27 2.308 -14.576 -11.042 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.430 -14.494 -10.157 1.00 0.00 O ATOM 442 OE2 GLU A 27 2.124 -14.183 -12.214 1.00 0.00 O ATOM 0 H GLU A 27 6.630 -13.527 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 27 5.517 -13.616 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.198 -14.952 -9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.871 -13.821 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.178 -15.443 -11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.456 -16.147 -10.164 1.00 0.00 H new ATOM 449 N ILE A 28 4.422 -11.220 -9.600 1.00 0.00 N ATOM 450 CA ILE A 28 3.681 -9.965 -9.590 1.00 0.00 C ATOM 451 C ILE A 28 4.365 -8.923 -10.476 1.00 0.00 C ATOM 452 O ILE A 28 3.700 -8.169 -11.188 1.00 0.00 O ATOM 453 CB ILE A 28 3.524 -9.417 -8.154 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.824 -10.457 -7.275 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.743 -8.107 -8.158 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.712 -10.056 -5.817 1.00 0.00 C ATOM 0 H ILE A 28 4.859 -11.460 -8.710 1.00 0.00 H new ATOM 0 HA ILE A 28 2.687 -10.169 -9.989 1.00 0.00 H new ATOM 0 HB ILE A 28 4.515 -9.217 -7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.824 -10.638 -7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.368 -11.399 -7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.644 -7.739 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.273 -7.369 -8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.752 -8.275 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.205 -10.844 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.709 -9.904 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.141 -9.131 -5.737 1.00 0.00 H new ATOM 468 N ALA A 29 5.694 -8.906 -10.446 1.00 0.00 N ATOM 469 CA ALA A 29 6.473 -7.984 -11.262 1.00 0.00 C ATOM 470 C ALA A 29 6.186 -8.196 -12.747 1.00 0.00 C ATOM 471 O ALA A 29 5.998 -7.233 -13.493 1.00 0.00 O ATOM 472 CB ALA A 29 7.959 -8.152 -10.978 1.00 0.00 C ATOM 0 H ALA A 29 6.256 -9.525 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 29 6.180 -6.967 -11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.528 -7.457 -11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.154 -7.946 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.261 -9.173 -11.210 1.00 0.00 H new ATOM 478 N LYS A 30 6.139 -9.462 -13.161 1.00 0.00 N ATOM 479 CA LYS A 30 5.834 -9.807 -14.550 1.00 0.00 C ATOM 480 C LYS A 30 4.451 -9.307 -14.945 1.00 0.00 C ATOM 481 O LYS A 30 4.225 -8.899 -16.084 1.00 0.00 O ATOM 482 CB LYS A 30 5.888 -11.319 -14.756 1.00 0.00 C ATOM 483 CG LYS A 30 7.260 -11.930 -14.563 1.00 0.00 C ATOM 484 CD LYS A 30 7.191 -13.441 -14.689 1.00 0.00 C ATOM 485 CE LYS A 30 8.559 -14.080 -14.572 1.00 0.00 C ATOM 486 NZ LYS A 30 8.475 -15.561 -14.619 1.00 0.00 N ATOM 0 H LYS A 30 6.308 -10.265 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 30 6.585 -9.326 -15.177 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.192 -11.793 -14.063 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.540 -11.548 -15.763 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.951 -11.528 -15.304 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.651 -11.658 -13.582 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.536 -13.840 -13.915 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.748 -13.705 -15.649 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.198 -13.725 -15.381 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.027 -13.771 -13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.429 -15.966 -14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.886 -15.900 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.051 -15.856 -15.522 1.00 0.00 H new ATOM 500 N SER A 31 3.532 -9.347 -13.994 1.00 0.00 N ATOM 501 CA SER A 31 2.160 -8.926 -14.234 1.00 0.00 C ATOM 502 C SER A 31 2.081 -7.414 -14.445 1.00 0.00 C ATOM 503 O SER A 31 1.235 -6.917 -15.192 1.00 0.00 O ATOM 504 CB SER A 31 1.286 -9.346 -13.053 1.00 0.00 C ATOM 505 OG SER A 31 1.400 -10.739 -12.797 1.00 0.00 O ATOM 0 H SER A 31 3.712 -9.669 -13.043 1.00 0.00 H new ATOM 0 HA SER A 31 1.798 -9.408 -15.142 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.577 -8.786 -12.165 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.246 -9.096 -13.261 1.00 0.00 H new ATOM 0 HG SER A 31 2.292 -10.934 -12.442 1.00 0.00 H new ATOM 511 N ILE A 32 2.975 -6.692 -13.788 1.00 0.00 N ATOM 512 CA ILE A 32 3.016 -5.241 -13.893 1.00 0.00 C ATOM 513 C ILE A 32 3.816 -4.817 -15.121 1.00 0.00 C ATOM 514 O ILE A 32 3.397 -3.935 -15.875 1.00 0.00 O ATOM 515 CB ILE A 32 3.634 -4.602 -12.630 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.855 -5.022 -11.380 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.666 -3.084 -12.754 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.387 -4.651 -11.417 1.00 0.00 C ATOM 0 H ILE A 32 3.686 -7.089 -13.173 1.00 0.00 H new ATOM 0 HA ILE A 32 1.988 -4.891 -13.990 1.00 0.00 H new ATOM 0 HB ILE A 32 4.660 -4.958 -12.534 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.944 -6.101 -11.254 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.314 -4.560 -10.506 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.105 -2.655 -11.853 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.265 -2.802 -13.620 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.651 -2.708 -12.878 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.905 -4.982 -10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.287 -3.570 -11.510 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.911 -5.134 -12.270 1.00 0.00 H new ATOM 530 N GLY A 33 4.960 -5.455 -15.317 1.00 0.00 N ATOM 531 CA GLY A 33 5.819 -5.123 -16.438 1.00 0.00 C ATOM 532 C GLY A 33 7.221 -4.776 -15.992 1.00 0.00 C ATOM 533 O GLY A 33 8.142 -4.693 -16.805 1.00 0.00 O ATOM 0 H GLY A 33 5.312 -6.201 -14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.856 -5.965 -17.129 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.393 -4.281 -16.984 1.00 0.00 H new ATOM 537 N VAL A 34 7.385 -4.580 -14.694 1.00 0.00 N ATOM 538 CA VAL A 34 8.678 -4.208 -14.139 1.00 0.00 C ATOM 539 C VAL A 34 9.501 -5.441 -13.791 1.00 0.00 C ATOM 540 O VAL A 34 8.989 -6.562 -13.766 1.00 0.00 O ATOM 541 CB VAL A 34 8.531 -3.333 -12.877 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.905 -1.992 -13.221 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.713 -4.050 -11.810 1.00 0.00 C ATOM 0 H VAL A 34 6.639 -4.672 -14.004 1.00 0.00 H new ATOM 0 HA VAL A 34 9.191 -3.632 -14.909 1.00 0.00 H new ATOM 0 HB VAL A 34 9.528 -3.152 -12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.811 -1.392 -12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.536 -1.469 -13.939 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.918 -2.152 -13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.624 -3.412 -10.930 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.720 -4.271 -12.200 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.210 -4.980 -11.535 1.00 0.00 H new ATOM 553 N SER A 35 10.777 -5.227 -13.533 1.00 0.00 N ATOM 554 CA SER A 35 11.663 -6.306 -13.144 1.00 0.00 C ATOM 555 C SER A 35 11.705 -6.424 -11.622 1.00 0.00 C ATOM 556 O SER A 35 11.529 -5.429 -10.914 1.00 0.00 O ATOM 557 CB SER A 35 13.065 -6.052 -13.703 1.00 0.00 C ATOM 558 OG SER A 35 13.026 -5.875 -15.111 1.00 0.00 O ATOM 0 H SER A 35 11.224 -4.312 -13.586 1.00 0.00 H new ATOM 0 HA SER A 35 11.289 -7.245 -13.553 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.493 -5.166 -13.233 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.716 -6.890 -13.456 1.00 0.00 H new ATOM 0 HG SER A 35 13.933 -5.712 -15.446 1.00 0.00 H new ATOM 564 N PRO A 36 11.911 -7.644 -11.098 1.00 0.00 N ATOM 565 CA PRO A 36 12.037 -7.881 -9.655 1.00 0.00 C ATOM 566 C PRO A 36 13.086 -6.979 -8.997 1.00 0.00 C ATOM 567 O PRO A 36 12.976 -6.660 -7.819 1.00 0.00 O ATOM 568 CB PRO A 36 12.447 -9.352 -9.569 1.00 0.00 C ATOM 569 CG PRO A 36 11.916 -9.963 -10.816 1.00 0.00 C ATOM 570 CD PRO A 36 12.008 -8.897 -11.871 1.00 0.00 C ATOM 0 HA PRO A 36 11.112 -7.655 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.530 -9.459 -9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.027 -9.829 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.496 -10.842 -11.098 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.885 -10.291 -10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.946 -8.957 -12.423 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.203 -8.983 -12.601 1.00 0.00 H new ATOM 578 N GLN A 37 14.094 -6.567 -9.769 1.00 0.00 N ATOM 579 CA GLN A 37 15.078 -5.589 -9.301 1.00 0.00 C ATOM 580 C GLN A 37 14.390 -4.300 -8.857 1.00 0.00 C ATOM 581 O GLN A 37 14.667 -3.766 -7.779 1.00 0.00 O ATOM 582 CB GLN A 37 16.079 -5.272 -10.411 1.00 0.00 C ATOM 583 CG GLN A 37 17.084 -6.376 -10.671 1.00 0.00 C ATOM 584 CD GLN A 37 17.802 -6.203 -11.991 1.00 0.00 C ATOM 585 OE1 GLN A 37 18.819 -5.518 -12.076 1.00 0.00 O ATOM 586 NE2 GLN A 37 17.279 -6.829 -13.034 1.00 0.00 N ATOM 0 H GLN A 37 14.250 -6.896 -10.722 1.00 0.00 H new ATOM 0 HA GLN A 37 15.605 -6.021 -8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.532 -5.069 -11.332 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.616 -4.360 -10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.815 -6.396 -9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.573 -7.339 -10.662 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.433 -7.388 -12.922 1.00 0.00 H new ATOM 0 HE22 GLN A 37 17.722 -6.752 -13.950 1.00 0.00 H new ATOM 595 N THR A 38 13.494 -3.807 -9.698 1.00 0.00 N ATOM 596 CA THR A 38 12.746 -2.596 -9.406 1.00 0.00 C ATOM 597 C THR A 38 11.737 -2.859 -8.291 1.00 0.00 C ATOM 598 O THR A 38 11.562 -2.049 -7.383 1.00 0.00 O ATOM 599 CB THR A 38 12.004 -2.107 -10.664 1.00 0.00 C ATOM 600 OG1 THR A 38 12.899 -2.111 -11.787 1.00 0.00 O ATOM 601 CG2 THR A 38 11.442 -0.707 -10.466 1.00 0.00 C ATOM 0 H THR A 38 13.266 -4.233 -10.597 1.00 0.00 H new ATOM 0 HA THR A 38 13.448 -1.827 -9.085 1.00 0.00 H new ATOM 0 HB THR A 38 11.172 -2.786 -10.851 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.423 -1.801 -12.586 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.924 -0.391 -11.372 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.742 -0.711 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.257 -0.015 -10.254 1.00 0.00 H new ATOM 609 N PHE A 39 11.103 -4.022 -8.360 1.00 0.00 N ATOM 610 CA PHE A 39 10.105 -4.419 -7.379 1.00 0.00 C ATOM 611 C PHE A 39 10.737 -4.516 -5.990 1.00 0.00 C ATOM 612 O PHE A 39 10.112 -4.189 -4.981 1.00 0.00 O ATOM 613 CB PHE A 39 9.502 -5.765 -7.789 1.00 0.00 C ATOM 614 CG PHE A 39 8.130 -6.011 -7.235 1.00 0.00 C ATOM 615 CD1 PHE A 39 7.962 -6.603 -5.996 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.006 -5.654 -7.963 1.00 0.00 C ATOM 617 CE1 PHE A 39 6.699 -6.831 -5.489 1.00 0.00 C ATOM 618 CE2 PHE A 39 5.740 -5.879 -7.461 1.00 0.00 C ATOM 619 CZ PHE A 39 5.587 -6.471 -6.224 1.00 0.00 C ATOM 0 H PHE A 39 11.265 -4.712 -9.093 1.00 0.00 H new ATOM 0 HA PHE A 39 9.315 -3.669 -7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.458 -5.816 -8.877 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.165 -6.565 -7.459 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.829 -6.890 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.122 -5.195 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.581 -7.290 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.871 -5.592 -8.035 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.598 -6.653 -5.831 1.00 0.00 H new ATOM 629 N ASN A 40 11.991 -4.948 -5.955 1.00 0.00 N ATOM 630 CA ASN A 40 12.735 -5.090 -4.708 1.00 0.00 C ATOM 631 C ASN A 40 12.892 -3.750 -3.995 1.00 0.00 C ATOM 632 O ASN A 40 12.730 -3.667 -2.780 1.00 0.00 O ATOM 633 CB ASN A 40 14.111 -5.713 -4.978 1.00 0.00 C ATOM 634 CG ASN A 40 14.998 -5.749 -3.744 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.903 -6.660 -2.924 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.893 -4.775 -3.625 1.00 0.00 N ATOM 0 H ASN A 40 12.520 -5.209 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 40 12.166 -5.751 -4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.977 -6.728 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.612 -5.147 -5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.534 -4.765 -2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.940 -4.037 -4.327 1.00 0.00 H new ATOM 643 N THR A 41 13.189 -2.696 -4.749 1.00 0.00 N ATOM 644 CA THR A 41 13.372 -1.377 -4.150 1.00 0.00 C ATOM 645 C THR A 41 12.058 -0.839 -3.589 1.00 0.00 C ATOM 646 O THR A 41 12.055 0.020 -2.711 1.00 0.00 O ATOM 647 CB THR A 41 13.980 -0.357 -5.142 1.00 0.00 C ATOM 648 OG1 THR A 41 13.207 -0.282 -6.347 1.00 0.00 O ATOM 649 CG2 THR A 41 15.416 -0.728 -5.480 1.00 0.00 C ATOM 0 H THR A 41 13.307 -2.727 -5.762 1.00 0.00 H new ATOM 0 HA THR A 41 14.081 -1.506 -3.332 1.00 0.00 H new ATOM 0 HB THR A 41 13.966 0.620 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.621 -1.065 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.825 0.001 -6.179 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.014 -0.733 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.439 -1.718 -5.935 1.00 0.00 H new ATOM 657 N TRP A 42 10.945 -1.353 -4.093 1.00 0.00 N ATOM 658 CA TRP A 42 9.639 -0.990 -3.564 1.00 0.00 C ATOM 659 C TRP A 42 9.366 -1.767 -2.281 1.00 0.00 C ATOM 660 O TRP A 42 8.928 -1.206 -1.278 1.00 0.00 O ATOM 661 CB TRP A 42 8.536 -1.280 -4.585 1.00 0.00 C ATOM 662 CG TRP A 42 8.688 -0.538 -5.880 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.468 0.557 -6.121 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.019 -0.834 -7.110 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.331 0.954 -7.429 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.448 0.115 -8.055 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.105 -1.817 -7.506 1.00 0.00 C ATOM 668 CZ2 TRP A 42 7.986 0.116 -9.369 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.650 -1.815 -8.811 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.092 -0.853 -9.728 1.00 0.00 C ATOM 0 H TRP A 42 10.920 -2.020 -4.864 1.00 0.00 H new ATOM 0 HA TRP A 42 9.641 0.079 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.520 -2.350 -4.792 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.572 -1.026 -4.144 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.100 1.040 -5.390 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.809 1.744 -7.863 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.762 -2.563 -6.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.323 0.857 -10.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.943 -2.567 -9.129 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.718 -0.878 -10.741 1.00 0.00 H new ATOM 681 N CYS A 43 9.658 -3.063 -2.324 1.00 0.00 N ATOM 682 CA CYS A 43 9.416 -3.958 -1.197 1.00 0.00 C ATOM 683 C CYS A 43 10.321 -3.618 -0.016 1.00 0.00 C ATOM 684 O CYS A 43 9.908 -3.720 1.140 1.00 0.00 O ATOM 685 CB CYS A 43 9.634 -5.410 -1.638 1.00 0.00 C ATOM 686 SG CYS A 43 9.259 -6.648 -0.375 1.00 0.00 S ATOM 0 H CYS A 43 10.068 -3.522 -3.138 1.00 0.00 H new ATOM 0 HA CYS A 43 8.384 -3.831 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.016 -5.606 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.672 -5.529 -1.947 1.00 0.00 H new ATOM 0 HG CYS A 43 9.476 -7.837 -0.855 1.00 0.00 H new ATOM 692 N LYS A 44 11.551 -3.207 -0.311 1.00 0.00 N ATOM 693 CA LYS A 44 12.497 -2.828 0.723 1.00 0.00 C ATOM 694 C LYS A 44 12.328 -1.365 1.124 1.00 0.00 C ATOM 695 O LYS A 44 13.057 -0.863 1.981 1.00 0.00 O ATOM 696 CB LYS A 44 13.926 -3.080 0.245 1.00 0.00 C ATOM 697 CG LYS A 44 14.410 -4.497 0.493 1.00 0.00 C ATOM 698 CD LYS A 44 15.923 -4.585 0.403 1.00 0.00 C ATOM 699 CE LYS A 44 16.418 -5.993 0.690 1.00 0.00 C ATOM 700 NZ LYS A 44 17.895 -6.035 0.841 1.00 0.00 N ATOM 0 H LYS A 44 11.913 -3.129 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 44 12.298 -3.442 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.986 -2.866 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.596 -2.383 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.082 -4.829 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.960 -5.171 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.248 -4.280 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.372 -3.889 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.948 -6.366 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.116 -6.657 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.196 -7.011 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.343 -5.703 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.181 -5.420 1.630 1.00 0.00 H new ATOM 714 N GLY A 45 11.361 -0.690 0.508 1.00 0.00 N ATOM 715 CA GLY A 45 11.100 0.707 0.828 1.00 0.00 C ATOM 716 C GLY A 45 12.287 1.610 0.553 1.00 0.00 C ATOM 717 O GLY A 45 12.681 2.408 1.405 1.00 0.00 O ATOM 0 H GLY A 45 10.752 -1.085 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.245 1.053 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.825 0.788 1.880 1.00 0.00 H new ATOM 721 N ILE A 46 12.859 1.470 -0.630 1.00 0.00 N ATOM 722 CA ILE A 46 13.989 2.290 -1.042 1.00 0.00 C ATOM 723 C ILE A 46 13.528 3.357 -2.030 1.00 0.00 C ATOM 724 O ILE A 46 13.975 4.504 -1.986 1.00 0.00 O ATOM 725 CB ILE A 46 15.095 1.431 -1.700 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.529 0.297 -0.760 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.291 2.300 -2.079 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.544 -0.651 -1.369 1.00 0.00 C ATOM 0 H ILE A 46 12.558 0.791 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 46 14.400 2.763 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 46 14.690 0.986 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 46 15.950 0.731 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.648 -0.272 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.060 1.680 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 46 15.973 3.069 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.695 2.773 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.801 -1.424 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.120 -1.115 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.442 -0.097 -1.641 1.00 0.00 H new ATOM 740 N ALA A 47 12.616 2.970 -2.911 1.00 0.00 N ATOM 741 CA ALA A 47 12.106 3.868 -3.932 1.00 0.00 C ATOM 742 C ALA A 47 10.599 3.707 -4.072 1.00 0.00 C ATOM 743 O ALA A 47 10.047 2.663 -3.722 1.00 0.00 O ATOM 744 CB ALA A 47 12.795 3.603 -5.262 1.00 0.00 C ATOM 0 H ALA A 47 12.213 2.033 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 47 12.318 4.894 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.402 4.284 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.868 3.761 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.609 2.574 -5.569 1.00 0.00 H new ATOM 750 N ILE A 48 9.942 4.742 -4.575 1.00 0.00 N ATOM 751 CA ILE A 48 8.499 4.723 -4.766 1.00 0.00 C ATOM 752 C ILE A 48 8.152 5.023 -6.223 1.00 0.00 C ATOM 753 O ILE A 48 8.640 5.996 -6.798 1.00 0.00 O ATOM 754 CB ILE A 48 7.790 5.739 -3.832 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.000 5.338 -2.371 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.301 5.825 -4.147 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.487 6.358 -1.374 1.00 0.00 C ATOM 0 H ILE A 48 10.390 5.613 -4.860 1.00 0.00 H new ATOM 0 HA ILE A 48 8.144 3.724 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 48 8.227 6.723 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.501 4.386 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.064 5.178 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.828 6.544 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.166 6.147 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.843 4.846 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.672 6.002 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.003 7.306 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.416 6.501 -1.518 1.00 0.00 H new ATOM 769 N PRO A 49 7.326 4.167 -6.837 1.00 0.00 N ATOM 770 CA PRO A 49 6.891 4.328 -8.228 1.00 0.00 C ATOM 771 C PRO A 49 5.890 5.468 -8.395 1.00 0.00 C ATOM 772 O PRO A 49 5.243 5.894 -7.435 1.00 0.00 O ATOM 773 CB PRO A 49 6.234 2.982 -8.539 1.00 0.00 C ATOM 774 CG PRO A 49 5.730 2.507 -7.222 1.00 0.00 C ATOM 775 CD PRO A 49 6.753 2.959 -6.216 1.00 0.00 C ATOM 0 HA PRO A 49 7.716 4.582 -8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.423 3.092 -9.259 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.949 2.280 -8.968 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.749 2.928 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.621 1.423 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.298 3.180 -5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.512 2.196 -6.043 1.00 0.00 H new ATOM 783 N ARG A 50 5.767 5.964 -9.619 1.00 0.00 N ATOM 784 CA ARG A 50 4.847 7.054 -9.906 1.00 0.00 C ATOM 785 C ARG A 50 3.520 6.523 -10.440 1.00 0.00 C ATOM 786 O ARG A 50 3.356 5.309 -10.609 1.00 0.00 O ATOM 787 CB ARG A 50 5.475 8.039 -10.890 1.00 0.00 C ATOM 788 CG ARG A 50 6.626 8.828 -10.290 1.00 0.00 C ATOM 789 CD ARG A 50 7.130 9.901 -11.236 1.00 0.00 C ATOM 790 NE ARG A 50 8.037 10.832 -10.567 1.00 0.00 N ATOM 791 CZ ARG A 50 8.477 11.963 -11.113 1.00 0.00 C ATOM 792 NH1 ARG A 50 8.139 12.271 -12.359 1.00 0.00 N ATOM 793 NH2 ARG A 50 9.259 12.779 -10.415 1.00 0.00 N ATOM 0 H ARG A 50 6.292 5.629 -10.427 1.00 0.00 H new ATOM 0 HA ARG A 50 4.644 7.583 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.833 7.493 -11.763 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.710 8.732 -11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.302 9.289 -9.357 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.442 8.149 -10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.644 9.433 -12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.283 10.451 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 50 8.352 10.601 -9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.543 11.641 -12.896 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.475 13.137 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.523 12.539 -9.459 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.596 13.646 -10.835 1.00 0.00 H new ATOM 807 N MET A 51 2.596 7.442 -10.727 1.00 0.00 N ATOM 808 CA MET A 51 1.210 7.097 -11.069 1.00 0.00 C ATOM 809 C MET A 51 1.122 6.043 -12.165 1.00 0.00 C ATOM 810 O MET A 51 0.296 5.132 -12.081 1.00 0.00 O ATOM 811 CB MET A 51 0.435 8.346 -11.501 1.00 0.00 C ATOM 812 CG MET A 51 0.268 9.371 -10.392 1.00 0.00 C ATOM 813 SD MET A 51 -0.575 8.702 -8.946 1.00 0.00 S ATOM 814 CE MET A 51 -2.189 8.323 -9.632 1.00 0.00 C ATOM 0 H MET A 51 2.784 8.444 -10.730 1.00 0.00 H new ATOM 0 HA MET A 51 0.764 6.677 -10.167 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.951 8.812 -12.340 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.550 8.047 -11.859 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.249 9.743 -10.096 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.294 10.224 -10.773 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.899 8.156 -8.822 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.529 9.157 -10.246 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.122 7.425 -10.246 1.00 0.00 H new ATOM 824 N GLY A 52 1.975 6.167 -13.176 1.00 0.00 N ATOM 825 CA GLY A 52 1.973 5.226 -14.283 1.00 0.00 C ATOM 826 C GLY A 52 2.083 3.773 -13.843 1.00 0.00 C ATOM 827 O GLY A 52 1.488 2.889 -14.458 1.00 0.00 O ATOM 0 H GLY A 52 2.673 6.907 -13.249 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.056 5.355 -14.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.803 5.460 -14.950 1.00 0.00 H new ATOM 831 N LYS A 53 2.826 3.520 -12.773 1.00 0.00 N ATOM 832 CA LYS A 53 3.000 2.158 -12.280 1.00 0.00 C ATOM 833 C LYS A 53 2.099 1.891 -11.077 1.00 0.00 C ATOM 834 O LYS A 53 1.700 0.753 -10.832 1.00 0.00 O ATOM 835 CB LYS A 53 4.464 1.898 -11.924 1.00 0.00 C ATOM 836 CG LYS A 53 5.096 0.796 -12.764 1.00 0.00 C ATOM 837 CD LYS A 53 5.036 1.119 -14.251 1.00 0.00 C ATOM 838 CE LYS A 53 5.570 -0.027 -15.098 1.00 0.00 C ATOM 839 NZ LYS A 53 5.516 0.283 -16.552 1.00 0.00 N ATOM 0 H LYS A 53 3.315 4.234 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 53 2.711 1.472 -13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.033 2.818 -12.056 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.533 1.628 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.134 0.659 -12.463 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.582 -0.146 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.006 1.333 -14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.615 2.020 -14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.599 -0.241 -14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.989 -0.927 -14.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.889 -0.523 -17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.531 0.462 -16.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.091 1.127 -16.749 1.00 0.00 H new ATOM 853 N VAL A 54 1.767 2.948 -10.339 1.00 0.00 N ATOM 854 CA VAL A 54 0.861 2.831 -9.196 1.00 0.00 C ATOM 855 C VAL A 54 -0.517 2.361 -9.651 1.00 0.00 C ATOM 856 O VAL A 54 -1.151 1.537 -8.993 1.00 0.00 O ATOM 857 CB VAL A 54 0.724 4.167 -8.429 1.00 0.00 C ATOM 858 CG1 VAL A 54 -0.323 4.058 -7.328 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.064 4.582 -7.841 1.00 0.00 C ATOM 0 H VAL A 54 2.110 3.893 -10.510 1.00 0.00 H new ATOM 0 HA VAL A 54 1.293 2.094 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 54 0.399 4.930 -9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.400 5.010 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.288 3.806 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.031 3.279 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.950 5.524 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.413 3.812 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.790 4.707 -8.644 1.00 0.00 H new ATOM 869 N GLN A 55 -0.964 2.871 -10.794 1.00 0.00 N ATOM 870 CA GLN A 55 -2.260 2.496 -11.346 1.00 0.00 C ATOM 871 C GLN A 55 -2.306 1.013 -11.690 1.00 0.00 C ATOM 872 O GLN A 55 -3.354 0.378 -11.588 1.00 0.00 O ATOM 873 CB GLN A 55 -2.584 3.338 -12.580 1.00 0.00 C ATOM 874 CG GLN A 55 -2.832 4.802 -12.260 1.00 0.00 C ATOM 875 CD GLN A 55 -4.023 5.005 -11.341 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.149 5.172 -11.804 1.00 0.00 O ATOM 877 NE2 GLN A 55 -3.787 4.993 -10.038 1.00 0.00 N ATOM 0 H GLN A 55 -0.446 3.546 -11.357 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.014 2.689 -10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.760 3.263 -13.289 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.466 2.926 -13.071 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.942 5.224 -11.794 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.996 5.350 -13.188 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.838 4.851 -9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.555 5.125 -9.379 1.00 0.00 H new ATOM 886 N ALA A 56 -1.165 0.462 -12.088 1.00 0.00 N ATOM 887 CA ALA A 56 -1.073 -0.958 -12.397 1.00 0.00 C ATOM 888 C ALA A 56 -1.164 -1.789 -11.121 1.00 0.00 C ATOM 889 O ALA A 56 -1.879 -2.789 -11.069 1.00 0.00 O ATOM 890 CB ALA A 56 0.224 -1.256 -13.136 1.00 0.00 C ATOM 0 H ALA A 56 -0.292 0.977 -12.204 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.909 -1.227 -13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.279 -2.321 -13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.252 -0.688 -14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.072 -0.973 -12.512 1.00 0.00 H new ATOM 896 N LEU A 57 -0.450 -1.351 -10.086 1.00 0.00 N ATOM 897 CA LEU A 57 -0.465 -2.029 -8.795 1.00 0.00 C ATOM 898 C LEU A 57 -1.854 -1.971 -8.169 1.00 0.00 C ATOM 899 O LEU A 57 -2.372 -2.978 -7.682 1.00 0.00 O ATOM 900 CB LEU A 57 0.555 -1.390 -7.852 1.00 0.00 C ATOM 901 CG LEU A 57 2.019 -1.533 -8.276 1.00 0.00 C ATOM 902 CD1 LEU A 57 2.923 -0.726 -7.358 1.00 0.00 C ATOM 903 CD2 LEU A 57 2.434 -2.998 -8.274 1.00 0.00 C ATOM 0 H LEU A 57 0.148 -0.526 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.200 -3.074 -8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.323 -0.329 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.436 -1.831 -6.862 1.00 0.00 H new ATOM 0 HG LEU A 57 2.121 -1.145 -9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.959 -0.840 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.643 0.326 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.815 -1.085 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.477 -3.081 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.314 -3.409 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.808 -3.555 -8.971 1.00 0.00 H new ATOM 915 N ALA A 58 -2.456 -0.786 -8.201 1.00 0.00 N ATOM 916 CA ALA A 58 -3.778 -0.576 -7.623 1.00 0.00 C ATOM 917 C ALA A 58 -4.844 -1.371 -8.367 1.00 0.00 C ATOM 918 O ALA A 58 -5.853 -1.762 -7.788 1.00 0.00 O ATOM 919 CB ALA A 58 -4.125 0.905 -7.628 1.00 0.00 C ATOM 0 H ALA A 58 -2.046 0.047 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.754 -0.933 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.114 1.048 -7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.388 1.453 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.121 1.276 -8.653 1.00 0.00 H new ATOM 925 N ASP A 59 -4.613 -1.615 -9.649 1.00 0.00 N ATOM 926 CA ASP A 59 -5.555 -2.377 -10.465 1.00 0.00 C ATOM 927 C ASP A 59 -5.407 -3.866 -10.197 1.00 0.00 C ATOM 928 O ASP A 59 -6.394 -4.601 -10.141 1.00 0.00 O ATOM 929 CB ASP A 59 -5.325 -2.101 -11.951 1.00 0.00 C ATOM 930 CG ASP A 59 -6.290 -2.864 -12.840 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.463 -2.439 -12.962 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.880 -3.881 -13.438 1.00 0.00 O ATOM 0 H ASP A 59 -3.782 -1.298 -10.149 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.564 -2.064 -10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.430 -1.033 -12.139 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.302 -2.372 -12.214 1.00 0.00 H new ATOM 937 N TYR A 60 -4.163 -4.290 -10.013 1.00 0.00 N ATOM 938 CA TYR A 60 -3.833 -5.699 -9.819 1.00 0.00 C ATOM 939 C TYR A 60 -4.467 -6.258 -8.547 1.00 0.00 C ATOM 940 O TYR A 60 -4.875 -7.420 -8.505 1.00 0.00 O ATOM 941 CB TYR A 60 -2.314 -5.859 -9.763 1.00 0.00 C ATOM 942 CG TYR A 60 -1.837 -7.278 -9.939 1.00 0.00 C ATOM 943 CD1 TYR A 60 -2.023 -7.941 -11.143 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.184 -7.949 -8.912 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.576 -9.231 -11.322 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.733 -9.243 -9.084 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.931 -9.877 -10.291 1.00 0.00 C ATOM 948 OH TYR A 60 -0.478 -11.162 -10.468 1.00 0.00 O ATOM 0 H TYR A 60 -3.354 -3.669 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.236 -6.263 -10.660 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.865 -5.238 -10.538 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.955 -5.483 -8.805 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.527 -7.437 -11.954 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.027 -7.452 -7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.730 -9.733 -12.266 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.228 -9.754 -8.278 1.00 0.00 H new ATOM 0 HH TYR A 60 0.146 -11.188 -11.223 1.00 0.00 H new ATOM 958 N PHE A 61 -4.536 -5.436 -7.509 1.00 0.00 N ATOM 959 CA PHE A 61 -5.166 -5.837 -6.258 1.00 0.00 C ATOM 960 C PHE A 61 -6.563 -5.236 -6.146 1.00 0.00 C ATOM 961 O PHE A 61 -7.319 -5.568 -5.232 1.00 0.00 O ATOM 962 CB PHE A 61 -4.320 -5.387 -5.065 1.00 0.00 C ATOM 963 CG PHE A 61 -2.997 -6.089 -4.946 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.909 -7.324 -4.324 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.841 -5.511 -5.448 1.00 0.00 C ATOM 966 CE1 PHE A 61 -1.694 -7.971 -4.206 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.623 -6.153 -5.332 1.00 0.00 C ATOM 968 CZ PHE A 61 -0.550 -7.385 -4.709 1.00 0.00 C ATOM 0 H PHE A 61 -4.163 -4.487 -7.508 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.244 -6.924 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.143 -4.314 -5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.888 -5.550 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.801 -7.786 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.893 -4.548 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.639 -8.934 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.271 -5.693 -5.727 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.401 -7.888 -4.616 1.00 0.00 H new ATOM 978 N ASN A 62 -6.888 -4.359 -7.093 1.00 0.00 N ATOM 979 CA ASN A 62 -8.132 -3.584 -7.079 1.00 0.00 C ATOM 980 C ASN A 62 -8.314 -2.870 -5.743 1.00 0.00 C ATOM 981 O ASN A 62 -9.147 -3.245 -4.914 1.00 0.00 O ATOM 982 CB ASN A 62 -9.348 -4.456 -7.410 1.00 0.00 C ATOM 983 CG ASN A 62 -10.608 -3.630 -7.610 1.00 0.00 C ATOM 984 OD1 ASN A 62 -11.416 -3.469 -6.696 1.00 0.00 O ATOM 985 ND2 ASN A 62 -10.774 -3.087 -8.807 1.00 0.00 N ATOM 0 H ASN A 62 -6.293 -4.163 -7.898 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.055 -2.827 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.145 -5.031 -8.313 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.509 -5.173 -6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.595 -2.512 -8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.081 -3.244 -9.539 1.00 0.00 H new ATOM 992 N ILE A 63 -7.493 -1.857 -5.534 1.00 0.00 N ATOM 993 CA ILE A 63 -7.513 -1.076 -4.308 1.00 0.00 C ATOM 994 C ILE A 63 -7.386 0.406 -4.631 1.00 0.00 C ATOM 995 O ILE A 63 -7.280 0.787 -5.797 1.00 0.00 O ATOM 996 CB ILE A 63 -6.366 -1.474 -3.351 1.00 0.00 C ATOM 997 CG1 ILE A 63 -5.013 -1.389 -4.067 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.594 -2.869 -2.793 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.832 -1.710 -3.175 1.00 0.00 C ATOM 0 H ILE A 63 -6.792 -1.551 -6.209 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.463 -1.279 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.355 -0.772 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.016 -2.076 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.889 -0.385 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.776 -3.131 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.535 -2.892 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.634 -3.587 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.909 -1.630 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.803 -1.007 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.932 -2.725 -2.790 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.387 1.235 -3.603 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.222 2.666 -3.782 1.00 0.00 C ATOM 1013 C ASN A 64 -5.757 3.019 -3.594 1.00 0.00 C ATOM 1014 O ASN A 64 -5.030 2.293 -2.917 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.079 3.441 -2.774 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.528 2.995 -2.774 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.352 3.513 -3.530 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.847 2.034 -1.923 1.00 0.00 N ATOM 0 H ASN A 64 -7.501 0.941 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.546 2.941 -4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.663 3.312 -1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.031 4.505 -3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.807 1.694 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.133 1.633 -1.315 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.315 4.123 -4.183 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.926 4.545 -4.033 1.00 0.00 C ATOM 1027 C LYS A 65 -3.604 4.793 -2.561 1.00 0.00 C ATOM 1028 O LYS A 65 -2.491 4.537 -2.106 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.631 5.802 -4.864 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.395 7.044 -4.421 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.868 8.294 -5.110 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.558 9.551 -4.599 1.00 0.00 C ATOM 1033 NZ LYS A 65 -3.949 10.788 -5.160 1.00 0.00 N ATOM 0 H LYS A 65 -5.889 4.736 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.289 3.742 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.562 6.012 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.869 5.597 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.454 6.921 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.310 7.159 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.794 8.375 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.019 8.208 -6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.615 9.516 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.500 9.580 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.448 11.621 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.946 10.835 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.027 10.774 -6.197 1.00 0.00 H new ATOM 1047 N SER A 66 -4.601 5.255 -1.817 1.00 0.00 N ATOM 1048 CA SER A 66 -4.436 5.558 -0.406 1.00 0.00 C ATOM 1049 C SER A 66 -4.175 4.296 0.414 1.00 0.00 C ATOM 1050 O SER A 66 -3.522 4.360 1.451 1.00 0.00 O ATOM 1051 CB SER A 66 -5.681 6.273 0.114 1.00 0.00 C ATOM 1052 OG SER A 66 -5.973 7.415 -0.675 1.00 0.00 O ATOM 0 H SER A 66 -5.540 5.429 -2.174 1.00 0.00 H new ATOM 0 HA SER A 66 -3.567 6.207 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.530 5.590 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.528 6.572 1.151 1.00 0.00 H new ATOM 0 HG SER A 66 -6.775 7.857 -0.326 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.652 3.148 -0.071 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.499 1.884 0.656 1.00 0.00 C ATOM 1060 C ASP A 67 -3.030 1.518 0.833 1.00 0.00 C ATOM 1061 O ASP A 67 -2.667 0.781 1.750 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.230 0.735 -0.056 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.727 0.734 0.195 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.137 0.495 1.351 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.505 0.956 -0.763 1.00 0.00 O ATOM 0 H ASP A 67 -5.145 3.066 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.946 2.031 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.048 0.806 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.811 -0.215 0.276 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.193 2.015 -0.070 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.756 1.783 -0.002 1.00 0.00 C ATOM 1072 C LEU A 68 -0.043 2.929 0.713 1.00 0.00 C ATOM 1073 O LEU A 68 1.070 2.765 1.213 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.184 1.617 -1.414 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.724 0.421 -2.202 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.158 0.410 -3.615 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.395 -0.883 -1.486 1.00 0.00 C ATOM 0 H LEU A 68 -2.488 2.585 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.589 0.869 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.388 2.526 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.899 1.523 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.808 0.515 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.554 -0.448 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.443 1.328 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.929 0.342 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.787 -1.722 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.686 -0.982 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.849 -0.879 -0.495 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.694 4.082 0.773 1.00 0.00 N ATOM 1090 CA ILE A 69 -0.044 5.301 1.244 1.00 0.00 C ATOM 1091 C ILE A 69 -0.335 5.587 2.719 1.00 0.00 C ATOM 1092 O ILE A 69 0.506 6.154 3.416 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.478 6.521 0.393 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.155 6.280 -1.084 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.194 7.800 0.881 1.00 0.00 C ATOM 1096 CD1 ILE A 69 -0.590 7.412 -1.991 1.00 0.00 C ATOM 0 H ILE A 69 -1.670 4.201 0.502 1.00 0.00 H new ATOM 0 HA ILE A 69 1.028 5.138 1.136 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.555 6.644 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.919 6.130 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.640 5.359 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.130 8.639 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.084 7.984 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.276 7.693 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.329 7.173 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.669 7.548 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.086 8.331 -1.693 1.00 0.00 H new