USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 762 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 50 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -171:sc= -0.265 (180deg=-0.266) USER MOD Set 2.1: A 27 ASN : amide:sc= 0.0163 K(o=0.12,f=-0.76) USER MOD Set 2.2: A 30 CYS SG : rot 180:sc= 0.101 USER MOD Single : A 8 HIS : no HD1:sc= -4.95! C(o=-5!,f=-5.7!) USER MOD Single : A 10 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.48) USER MOD Single : A 12 GLN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.507 K(o=-0.51,f=-2.7) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-4.1!) USER MOD Single : A 28 THR OG1 : rot -120:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.13) USER MOD Single : A 34 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.042) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 0.0793 (180deg=0.0659) USER MOD Single : A 38 ASN : amide:sc= 0.856 K(o=0.86,f=-0.23) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 88:sc= 0.00664 USER MOD Single : A 52 CYS SG : rot 87:sc= -0.563 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= -0.0701 (180deg=-0.276) USER MOD Single : A 67 GLN : amide:sc= -5.25 K(o=-5.3,f=-12!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0.014 (180deg=0.0108) USER MOD Single : A 74 SER OG : rot 100:sc= -0.938 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.492 F(o=-1.5,f=-0.49) USER MOD Single : A 83 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 88 TYR OH : rot 179:sc= -0.231 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.662 10.670 9.592 1.00 0.00 N ATOM 69 CA HIS A 8 -7.227 10.609 8.202 1.00 0.00 C ATOM 70 C HIS A 8 -8.077 9.613 7.410 1.00 0.00 C ATOM 71 O HIS A 8 -7.969 8.403 7.609 1.00 0.00 O ATOM 72 CB HIS A 8 -5.754 10.212 8.125 1.00 0.00 C ATOM 73 CG HIS A 8 -4.815 11.322 8.485 1.00 0.00 C ATOM 74 ND1 HIS A 8 -3.926 11.267 9.535 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.638 12.538 7.907 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.252 12.424 9.564 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.645 13.230 8.596 1.00 0.00 N ATOM 0 HA HIS A 8 -7.353 11.599 7.763 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.578 9.368 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.530 9.871 7.114 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.181 12.909 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.486 12.666 10.286 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.294 14.166 8.394 1.00 0.00 H new ATOM 85 N PRO A 9 -8.938 10.108 6.503 1.00 0.00 N ATOM 86 CA PRO A 9 -9.805 9.248 5.687 1.00 0.00 C ATOM 87 C PRO A 9 -9.025 8.166 4.946 1.00 0.00 C ATOM 88 O PRO A 9 -9.583 7.134 4.571 1.00 0.00 O ATOM 89 CB PRO A 9 -10.442 10.221 4.693 1.00 0.00 C ATOM 90 CG PRO A 9 -10.393 11.545 5.372 1.00 0.00 C ATOM 91 CD PRO A 9 -9.139 11.537 6.200 1.00 0.00 C ATOM 0 HA PRO A 9 -10.528 8.708 6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.894 10.239 3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.467 9.934 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.376 12.357 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.273 11.696 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.294 11.954 5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.254 12.128 7.109 1.00 0.00 H new ATOM 99 N HIS A 10 -7.736 8.407 4.732 1.00 0.00 N ATOM 100 CA HIS A 10 -6.886 7.451 4.031 1.00 0.00 C ATOM 101 C HIS A 10 -6.259 6.456 5.001 1.00 0.00 C ATOM 102 O HIS A 10 -6.188 5.259 4.719 1.00 0.00 O ATOM 103 CB HIS A 10 -5.790 8.185 3.257 1.00 0.00 C ATOM 104 CG HIS A 10 -6.290 8.898 2.039 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.080 10.237 1.793 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.004 8.431 0.984 1.00 0.00 C ATOM 107 CE1 HIS A 10 -6.660 10.535 0.623 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.234 9.474 0.090 1.00 0.00 N ATOM 0 H HIS A 10 -7.257 9.256 5.034 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.511 6.897 3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.311 8.906 3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.025 7.468 2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.340 7.413 0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.658 11.517 0.174 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.741 9.427 -0.794 1.00 0.00 H new ATOM 116 N ILE A 11 -5.802 6.956 6.144 1.00 0.00 N ATOM 117 CA ILE A 11 -5.176 6.109 7.153 1.00 0.00 C ATOM 118 C ILE A 11 -6.215 5.292 7.914 1.00 0.00 C ATOM 119 O ILE A 11 -6.005 4.112 8.196 1.00 0.00 O ATOM 120 CB ILE A 11 -4.360 6.942 8.159 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.454 7.930 7.422 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.539 6.031 9.060 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.638 8.808 8.346 1.00 0.00 C ATOM 0 H ILE A 11 -5.853 7.943 6.395 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.506 5.433 6.622 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.051 7.509 8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.778 7.375 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.067 8.563 6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.968 6.635 9.765 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.205 5.365 9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.855 5.439 8.452 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.020 9.483 7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.307 9.390 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.999 8.184 8.970 1.00 0.00 H new ATOM 135 N GLN A 12 -7.335 5.927 8.245 1.00 0.00 N ATOM 136 CA GLN A 12 -8.407 5.258 8.975 1.00 0.00 C ATOM 137 C GLN A 12 -8.908 4.035 8.214 1.00 0.00 C ATOM 138 O GLN A 12 -9.231 3.009 8.811 1.00 0.00 O ATOM 139 CB GLN A 12 -9.563 6.229 9.227 1.00 0.00 C ATOM 140 CG GLN A 12 -9.555 6.835 10.620 1.00 0.00 C ATOM 141 CD GLN A 12 -10.370 6.027 11.611 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.461 6.432 12.013 1.00 0.00 O ATOM 143 NE2 GLN A 12 -9.841 4.876 12.013 1.00 0.00 N ATOM 0 H GLN A 12 -7.524 6.904 8.020 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.006 4.924 9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.520 7.031 8.490 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.507 5.705 9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.527 6.908 10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.949 7.850 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.934 4.579 11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.342 4.290 12.681 1.00 0.00 H new ATOM 152 N LEU A 13 -8.973 4.152 6.891 1.00 0.00 N ATOM 153 CA LEU A 13 -9.437 3.056 6.049 1.00 0.00 C ATOM 154 C LEU A 13 -8.532 1.836 6.193 1.00 0.00 C ATOM 155 O LEU A 13 -8.984 0.698 6.070 1.00 0.00 O ATOM 156 CB LEU A 13 -9.489 3.499 4.586 1.00 0.00 C ATOM 157 CG LEU A 13 -10.647 4.431 4.233 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.435 5.053 2.861 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.969 3.680 4.281 1.00 0.00 C ATOM 0 H LEU A 13 -8.710 4.995 6.380 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.440 2.780 6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.552 3.999 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.552 2.612 3.956 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.680 5.233 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.270 5.713 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.508 5.626 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.375 4.265 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.783 4.359 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.946 2.857 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.127 3.284 5.284 1.00 0.00 H new ATOM 171 N LEU A 14 -7.253 2.081 6.454 1.00 0.00 N ATOM 172 CA LEU A 14 -6.286 1.002 6.615 1.00 0.00 C ATOM 173 C LEU A 14 -6.369 0.399 8.013 1.00 0.00 C ATOM 174 O LEU A 14 -6.271 -0.816 8.183 1.00 0.00 O ATOM 175 CB LEU A 14 -4.869 1.516 6.353 1.00 0.00 C ATOM 176 CG LEU A 14 -4.587 1.928 4.907 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.147 2.391 4.756 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.881 0.775 3.959 1.00 0.00 C ATOM 0 H LEU A 14 -6.862 3.017 6.559 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.524 0.224 5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.684 2.372 7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.159 0.740 6.639 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.243 2.760 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.964 2.680 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.969 3.246 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.473 1.579 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.675 1.085 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.250 -0.076 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.929 0.489 4.048 1.00 0.00 H new ATOM 190 N LYS A 15 -6.549 1.258 9.012 1.00 0.00 N ATOM 191 CA LYS A 15 -6.645 0.812 10.397 1.00 0.00 C ATOM 192 C LYS A 15 -7.935 0.033 10.631 1.00 0.00 C ATOM 193 O LYS A 15 -7.972 -0.900 11.433 1.00 0.00 O ATOM 194 CB LYS A 15 -6.581 2.009 11.346 1.00 0.00 C ATOM 195 CG LYS A 15 -5.174 2.542 11.559 1.00 0.00 C ATOM 196 CD LYS A 15 -5.101 3.453 12.773 1.00 0.00 C ATOM 197 CE LYS A 15 -3.800 4.237 12.805 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.983 5.595 13.389 1.00 0.00 N ATOM 0 H LYS A 15 -6.631 2.267 8.888 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.801 0.152 10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.208 2.809 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.001 1.721 12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.483 1.708 11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.853 3.089 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.943 4.145 12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.190 2.858 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.060 3.688 13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.406 4.327 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.072 6.097 13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.670 6.128 12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.335 5.509 14.364 1.00 0.00 H new ATOM 212 N SER A 16 -8.992 0.422 9.924 1.00 0.00 N ATOM 213 CA SER A 16 -10.285 -0.241 10.056 1.00 0.00 C ATOM 214 C SER A 16 -10.331 -1.515 9.219 1.00 0.00 C ATOM 215 O SER A 16 -10.781 -2.561 9.687 1.00 0.00 O ATOM 216 CB SER A 16 -11.411 0.703 9.630 1.00 0.00 C ATOM 217 OG SER A 16 -12.681 0.138 9.904 1.00 0.00 O ATOM 0 H SER A 16 -8.979 1.192 9.255 1.00 0.00 H new ATOM 0 HA SER A 16 -10.422 -0.510 11.103 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.311 1.653 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.327 0.917 8.565 1.00 0.00 H new ATOM 0 HG SER A 16 -13.384 0.761 9.624 1.00 0.00 H new ATOM 223 N ASN A 17 -9.859 -1.421 7.980 1.00 0.00 N ATOM 224 CA ASN A 17 -9.847 -2.567 7.078 1.00 0.00 C ATOM 225 C ASN A 17 -8.441 -3.149 6.960 1.00 0.00 C ATOM 226 O ASN A 17 -7.972 -3.449 5.861 1.00 0.00 O ATOM 227 CB ASN A 17 -10.363 -2.160 5.697 1.00 0.00 C ATOM 228 CG ASN A 17 -11.697 -1.442 5.767 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.744 -2.025 5.489 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.663 -0.167 6.139 1.00 0.00 N ATOM 0 H ASN A 17 -9.480 -0.564 7.578 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.504 -3.332 7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.630 -1.513 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.464 -3.048 5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.529 0.369 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.771 0.276 6.360 1.00 0.00 H new ATOM 237 N ARG A 18 -7.774 -3.305 8.098 1.00 0.00 N ATOM 238 CA ARG A 18 -6.421 -3.850 8.123 1.00 0.00 C ATOM 239 C ARG A 18 -6.442 -5.370 7.996 1.00 0.00 C ATOM 240 O ARG A 18 -5.743 -5.942 7.160 1.00 0.00 O ATOM 241 CB ARG A 18 -5.709 -3.445 9.416 1.00 0.00 C ATOM 242 CG ARG A 18 -4.193 -3.430 9.297 1.00 0.00 C ATOM 243 CD ARG A 18 -3.527 -3.912 10.577 1.00 0.00 C ATOM 244 NE ARG A 18 -2.438 -3.031 10.992 1.00 0.00 N ATOM 245 CZ ARG A 18 -2.620 -1.874 11.625 1.00 0.00 C ATOM 246 NH1 ARG A 18 -3.846 -1.455 11.917 1.00 0.00 N ATOM 247 NH2 ARG A 18 -1.575 -1.133 11.968 1.00 0.00 N ATOM 0 H ARG A 18 -8.148 -3.062 9.015 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.877 -3.440 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.052 -2.454 9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.996 -4.134 10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.886 -4.064 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.855 -2.419 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.270 -3.970 11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.141 -4.920 10.427 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.482 -3.319 10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.654 -2.020 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.980 -0.568 12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.631 -1.449 11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.715 -0.247 12.453 1.00 0.00 H new ATOM 261 N GLU A 19 -7.248 -6.018 8.831 1.00 0.00 N ATOM 262 CA GLU A 19 -7.357 -7.473 8.812 1.00 0.00 C ATOM 263 C GLU A 19 -8.164 -7.945 7.605 1.00 0.00 C ATOM 264 O GLU A 19 -7.938 -9.038 7.085 1.00 0.00 O ATOM 265 CB GLU A 19 -8.009 -7.973 10.104 1.00 0.00 C ATOM 266 CG GLU A 19 -7.008 -8.397 11.166 1.00 0.00 C ATOM 267 CD GLU A 19 -6.741 -9.889 11.151 1.00 0.00 C ATOM 268 OE1 GLU A 19 -7.713 -10.667 11.043 1.00 0.00 O ATOM 269 OE2 GLU A 19 -5.559 -10.281 11.247 1.00 0.00 O ATOM 0 H GLU A 19 -7.835 -5.560 9.528 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.351 -7.886 8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.644 -7.185 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.658 -8.817 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.071 -7.862 11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.381 -8.108 12.148 1.00 0.00 H new ATOM 276 N LEU A 20 -9.105 -7.116 7.166 1.00 0.00 N ATOM 277 CA LEU A 20 -9.945 -7.451 6.021 1.00 0.00 C ATOM 278 C LEU A 20 -9.154 -7.371 4.720 1.00 0.00 C ATOM 279 O LEU A 20 -9.389 -8.145 3.791 1.00 0.00 O ATOM 280 CB LEU A 20 -11.152 -6.513 5.955 1.00 0.00 C ATOM 281 CG LEU A 20 -12.147 -6.818 4.832 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.494 -7.232 5.405 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.305 -5.613 3.915 1.00 0.00 C ATOM 0 H LEU A 20 -9.305 -6.208 7.585 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.295 -8.475 6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.679 -6.555 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.793 -5.491 5.834 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.755 -7.648 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.186 -7.444 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.370 -8.125 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.892 -6.424 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.016 -5.849 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.672 -4.763 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.340 -5.363 3.474 1.00 0.00 H new ATOM 295 N LEU A 21 -8.216 -6.432 4.659 1.00 0.00 N ATOM 296 CA LEU A 21 -7.392 -6.250 3.470 1.00 0.00 C ATOM 297 C LEU A 21 -6.373 -7.377 3.332 1.00 0.00 C ATOM 298 O LEU A 21 -5.989 -7.748 2.224 1.00 0.00 O ATOM 299 CB LEU A 21 -6.671 -4.902 3.525 1.00 0.00 C ATOM 300 CG LEU A 21 -7.487 -3.710 3.020 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.805 -2.401 3.391 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.689 -3.801 1.516 1.00 0.00 C ATOM 0 H LEU A 21 -8.007 -5.785 5.419 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.048 -6.270 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.373 -4.708 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.756 -4.972 2.936 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.466 -3.735 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.399 -1.564 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.713 -2.333 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.813 -2.367 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.271 -2.945 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.719 -3.802 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.221 -4.721 1.275 1.00 0.00 H new ATOM 314 N VAL A 22 -5.938 -7.919 4.466 1.00 0.00 N ATOM 315 CA VAL A 22 -4.963 -9.002 4.471 1.00 0.00 C ATOM 316 C VAL A 22 -5.559 -10.285 3.900 1.00 0.00 C ATOM 317 O VAL A 22 -4.849 -11.106 3.320 1.00 0.00 O ATOM 318 CB VAL A 22 -4.440 -9.280 5.893 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.312 -10.300 5.859 1.00 0.00 C ATOM 320 CG2 VAL A 22 -3.982 -7.988 6.557 1.00 0.00 C ATOM 0 H VAL A 22 -6.246 -7.625 5.393 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.133 -8.681 3.842 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.256 -9.696 6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.956 -10.483 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.678 -11.233 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.493 -9.917 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.616 -8.205 7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.182 -7.540 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.820 -7.294 6.618 1.00 0.00 H new ATOM 330 N THR A 23 -6.866 -10.454 4.071 1.00 0.00 N ATOM 331 CA THR A 23 -7.555 -11.640 3.573 1.00 0.00 C ATOM 332 C THR A 23 -7.980 -11.458 2.119 1.00 0.00 C ATOM 333 O THR A 23 -8.112 -12.431 1.376 1.00 0.00 O ATOM 334 CB THR A 23 -8.777 -11.945 4.439 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.533 -11.600 5.791 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.187 -13.402 4.405 1.00 0.00 C ATOM 0 H THR A 23 -7.469 -9.786 4.550 1.00 0.00 H new ATOM 0 HA THR A 23 -6.861 -12.479 3.625 1.00 0.00 H new ATOM 0 HB THR A 23 -9.585 -11.347 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.327 -11.801 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.060 -13.549 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.431 -13.688 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.366 -14.020 4.768 1.00 0.00 H new ATOM 344 N HIS A 24 -8.196 -10.209 1.719 1.00 0.00 N ATOM 345 CA HIS A 24 -8.609 -9.906 0.353 1.00 0.00 C ATOM 346 C HIS A 24 -7.403 -9.801 -0.575 1.00 0.00 C ATOM 347 O HIS A 24 -7.380 -10.400 -1.649 1.00 0.00 O ATOM 348 CB HIS A 24 -9.408 -8.601 0.318 1.00 0.00 C ATOM 349 CG HIS A 24 -10.696 -8.666 1.078 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.234 -9.831 1.578 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.558 -7.676 1.423 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.381 -9.520 2.197 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.623 -8.226 2.132 1.00 0.00 N ATOM 0 H HIS A 24 -8.092 -9.391 2.320 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.240 -10.723 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.795 -7.798 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.621 -8.343 -0.719 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.831 -10.764 1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.437 -6.629 1.186 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.024 -10.237 2.686 1.00 0.00 H new ATOM 361 N ILE A 25 -6.403 -9.034 -0.153 1.00 0.00 N ATOM 362 CA ILE A 25 -5.194 -8.850 -0.948 1.00 0.00 C ATOM 363 C ILE A 25 -4.362 -10.127 -0.989 1.00 0.00 C ATOM 364 O ILE A 25 -4.098 -10.741 0.045 1.00 0.00 O ATOM 365 CB ILE A 25 -4.328 -7.700 -0.398 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.169 -6.433 -0.228 1.00 0.00 C ATOM 367 CG2 ILE A 25 -3.146 -7.436 -1.320 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.497 -5.370 0.613 1.00 0.00 C ATOM 0 H ILE A 25 -6.406 -8.530 0.734 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.516 -8.599 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.944 -7.993 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.392 -6.020 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.122 -6.698 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.545 -6.621 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.535 -8.335 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.511 -7.162 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.150 -4.501 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.299 -5.766 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.557 -5.077 0.146 1.00 0.00 H new ATOM 380 N ARG A 26 -3.950 -10.520 -2.190 1.00 0.00 N ATOM 381 CA ARG A 26 -3.145 -11.723 -2.368 1.00 0.00 C ATOM 382 C ARG A 26 -1.693 -11.365 -2.668 1.00 0.00 C ATOM 383 O ARG A 26 -0.777 -11.823 -1.987 1.00 0.00 O ATOM 384 CB ARG A 26 -3.716 -12.581 -3.499 1.00 0.00 C ATOM 385 CG ARG A 26 -2.943 -13.869 -3.736 1.00 0.00 C ATOM 386 CD ARG A 26 -2.879 -14.218 -5.214 1.00 0.00 C ATOM 387 NE ARG A 26 -1.557 -14.701 -5.608 1.00 0.00 N ATOM 388 CZ ARG A 26 -1.126 -15.941 -5.391 1.00 0.00 C ATOM 389 NH1 ARG A 26 -1.907 -16.826 -4.785 1.00 0.00 N ATOM 390 NH2 ARG A 26 0.090 -16.297 -5.781 1.00 0.00 N ATOM 0 H ARG A 26 -4.161 -10.022 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.176 -12.292 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.753 -12.826 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.723 -11.997 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.932 -13.765 -3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.416 -14.684 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.625 -14.980 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.134 -13.338 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.928 -14.049 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.843 -16.557 -4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.571 -17.775 -4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.695 -15.620 -6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.421 -17.247 -5.615 1.00 0.00 H new ATOM 404 N ASN A 27 -1.493 -10.542 -3.692 1.00 0.00 N ATOM 405 CA ASN A 27 -0.152 -10.121 -4.083 1.00 0.00 C ATOM 406 C ASN A 27 0.296 -8.911 -3.267 1.00 0.00 C ATOM 407 O ASN A 27 -0.423 -7.918 -3.165 1.00 0.00 O ATOM 408 CB ASN A 27 -0.114 -9.787 -5.576 1.00 0.00 C ATOM 409 CG ASN A 27 0.513 -10.895 -6.400 1.00 0.00 C ATOM 410 OD1 ASN A 27 0.488 -12.063 -6.013 1.00 0.00 O ATOM 411 ND2 ASN A 27 1.083 -10.531 -7.543 1.00 0.00 N ATOM 0 H ASN A 27 -2.241 -10.153 -4.266 1.00 0.00 H new ATOM 0 HA ASN A 27 0.534 -10.945 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.128 -9.604 -5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.447 -8.865 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.523 -11.232 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.080 -9.551 -7.825 1.00 0.00 H new ATOM 418 N THR A 28 1.488 -9.004 -2.687 1.00 0.00 N ATOM 419 CA THR A 28 2.032 -7.919 -1.879 1.00 0.00 C ATOM 420 C THR A 28 3.243 -7.287 -2.558 1.00 0.00 C ATOM 421 O THR A 28 3.469 -6.081 -2.451 1.00 0.00 O ATOM 422 CB THR A 28 2.423 -8.434 -0.493 1.00 0.00 C ATOM 423 OG1 THR A 28 3.296 -9.544 -0.601 1.00 0.00 O ATOM 424 CG2 THR A 28 1.236 -8.863 0.341 1.00 0.00 C ATOM 0 H THR A 28 2.096 -9.820 -2.762 1.00 0.00 H new ATOM 0 HA THR A 28 1.259 -7.158 -1.773 1.00 0.00 H new ATOM 0 HB THR A 28 2.910 -7.594 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.888 -10.324 -0.170 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.582 -9.218 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.565 -8.015 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.704 -9.666 -0.170 1.00 0.00 H new ATOM 432 N GLN A 29 4.020 -8.108 -3.256 1.00 0.00 N ATOM 433 CA GLN A 29 5.210 -7.630 -3.952 1.00 0.00 C ATOM 434 C GLN A 29 4.847 -6.568 -4.985 1.00 0.00 C ATOM 435 O GLN A 29 5.607 -5.628 -5.217 1.00 0.00 O ATOM 436 CB GLN A 29 5.933 -8.794 -4.630 1.00 0.00 C ATOM 437 CG GLN A 29 7.448 -8.694 -4.560 1.00 0.00 C ATOM 438 CD GLN A 29 7.991 -7.508 -5.333 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.547 -6.576 -4.753 1.00 0.00 O ATOM 440 NE2 GLN A 29 7.832 -7.538 -6.651 1.00 0.00 N ATOM 0 H GLN A 29 3.847 -9.108 -3.355 1.00 0.00 H new ATOM 0 HA GLN A 29 5.875 -7.180 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.617 -9.728 -4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.628 -8.840 -5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.755 -8.615 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.887 -9.611 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.365 -8.331 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.177 -6.768 -7.224 1.00 0.00 H new ATOM 449 N CYS A 30 3.682 -6.726 -5.604 1.00 0.00 N ATOM 450 CA CYS A 30 3.219 -5.780 -6.614 1.00 0.00 C ATOM 451 C CYS A 30 3.062 -4.384 -6.021 1.00 0.00 C ATOM 452 O CYS A 30 3.477 -3.393 -6.622 1.00 0.00 O ATOM 453 CB CYS A 30 1.889 -6.248 -7.207 1.00 0.00 C ATOM 454 SG CYS A 30 2.061 -7.266 -8.691 1.00 0.00 S ATOM 0 H CYS A 30 3.041 -7.499 -5.425 1.00 0.00 H new ATOM 0 HA CYS A 30 3.967 -5.736 -7.406 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.346 -6.815 -6.451 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.283 -5.374 -7.447 1.00 0.00 H new ATOM 0 HG CYS A 30 0.883 -7.615 -9.117 1.00 0.00 H new ATOM 460 N LEU A 31 2.459 -4.313 -4.838 1.00 0.00 N ATOM 461 CA LEU A 31 2.246 -3.037 -4.164 1.00 0.00 C ATOM 462 C LEU A 31 3.576 -2.384 -3.803 1.00 0.00 C ATOM 463 O LEU A 31 3.758 -1.180 -3.985 1.00 0.00 O ATOM 464 CB LEU A 31 1.404 -3.237 -2.903 1.00 0.00 C ATOM 465 CG LEU A 31 -0.099 -3.380 -3.143 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.762 -4.091 -1.974 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.734 -2.015 -3.369 1.00 0.00 C ATOM 0 H LEU A 31 2.110 -5.124 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 31 1.712 -2.378 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.760 -4.127 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.571 -2.392 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.249 -3.982 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.831 -4.183 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.327 -5.084 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.603 -3.516 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.804 -2.135 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.573 -1.389 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.280 -1.542 -4.240 1.00 0.00 H new ATOM 479 N VAL A 32 4.503 -3.187 -3.290 1.00 0.00 N ATOM 480 CA VAL A 32 5.817 -2.687 -2.903 1.00 0.00 C ATOM 481 C VAL A 32 6.612 -2.229 -4.120 1.00 0.00 C ATOM 482 O VAL A 32 7.393 -1.281 -4.043 1.00 0.00 O ATOM 483 CB VAL A 32 6.626 -3.760 -2.150 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.905 -3.164 -1.582 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.785 -4.388 -1.049 1.00 0.00 C ATOM 0 H VAL A 32 4.368 -4.186 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 32 5.649 -1.837 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 32 6.901 -4.544 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.463 -3.937 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.514 -2.768 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.656 -2.359 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.373 -5.144 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.477 -3.617 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.902 -4.854 -1.486 1.00 0.00 H new ATOM 495 N ASP A 33 6.407 -2.908 -5.244 1.00 0.00 N ATOM 496 CA ASP A 33 7.105 -2.571 -6.480 1.00 0.00 C ATOM 497 C ASP A 33 6.744 -1.162 -6.942 1.00 0.00 C ATOM 498 O ASP A 33 7.622 -0.340 -7.203 1.00 0.00 O ATOM 499 CB ASP A 33 6.764 -3.584 -7.575 1.00 0.00 C ATOM 500 CG ASP A 33 7.970 -3.953 -8.416 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.839 -3.081 -8.625 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.045 -5.116 -8.865 1.00 0.00 O ATOM 0 H ASP A 33 5.763 -3.695 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 33 8.177 -2.606 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.354 -4.485 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.988 -3.171 -8.219 1.00 0.00 H new ATOM 507 N ASN A 34 5.447 -0.891 -7.039 1.00 0.00 N ATOM 508 CA ASN A 34 4.971 0.418 -7.470 1.00 0.00 C ATOM 509 C ASN A 34 5.372 1.499 -6.471 1.00 0.00 C ATOM 510 O ASN A 34 5.702 2.621 -6.855 1.00 0.00 O ATOM 511 CB ASN A 34 3.449 0.401 -7.637 1.00 0.00 C ATOM 512 CG ASN A 34 2.984 -0.696 -8.574 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.434 -0.787 -9.715 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.075 -1.537 -8.094 1.00 0.00 N ATOM 0 H ASN A 34 4.707 -1.560 -6.825 1.00 0.00 H new ATOM 0 HA ASN A 34 5.433 0.647 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.981 0.266 -6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.117 1.366 -8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.723 -2.295 -8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.729 -1.425 -7.141 1.00 0.00 H new ATOM 521 N LEU A 35 5.340 1.152 -5.188 1.00 0.00 N ATOM 522 CA LEU A 35 5.701 2.093 -4.133 1.00 0.00 C ATOM 523 C LEU A 35 7.187 2.430 -4.191 1.00 0.00 C ATOM 524 O LEU A 35 7.597 3.537 -3.842 1.00 0.00 O ATOM 525 CB LEU A 35 5.352 1.511 -2.763 1.00 0.00 C ATOM 526 CG LEU A 35 3.862 1.516 -2.418 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.579 0.571 -1.260 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.397 2.925 -2.084 1.00 0.00 C ATOM 0 H LEU A 35 5.068 0.227 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 35 5.132 3.010 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.716 0.485 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.888 2.074 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 35 3.306 1.168 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.514 0.588 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.874 -0.441 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.146 0.888 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.335 2.910 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.959 3.301 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.563 3.576 -2.942 1.00 0.00 H new ATOM 540 N LEU A 36 7.990 1.468 -4.633 1.00 0.00 N ATOM 541 CA LEU A 36 9.432 1.663 -4.737 1.00 0.00 C ATOM 542 C LEU A 36 9.787 2.445 -5.997 1.00 0.00 C ATOM 543 O LEU A 36 10.669 3.304 -5.978 1.00 0.00 O ATOM 544 CB LEU A 36 10.150 0.312 -4.742 1.00 0.00 C ATOM 545 CG LEU A 36 10.170 -0.416 -3.396 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.515 -1.884 -3.589 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.158 0.247 -2.449 1.00 0.00 C ATOM 0 H LEU A 36 7.667 0.546 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 36 9.759 2.238 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.673 -0.333 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.178 0.465 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 36 9.176 -0.354 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.525 -2.386 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.770 -2.351 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.498 -1.969 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.160 -0.283 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.157 0.215 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.866 1.285 -2.287 1.00 0.00 H new ATOM 559 N LYS A 37 9.093 2.144 -7.089 1.00 0.00 N ATOM 560 CA LYS A 37 9.335 2.821 -8.359 1.00 0.00 C ATOM 561 C LYS A 37 9.033 4.312 -8.245 1.00 0.00 C ATOM 562 O LYS A 37 9.695 5.138 -8.875 1.00 0.00 O ATOM 563 CB LYS A 37 8.480 2.198 -9.463 1.00 0.00 C ATOM 564 CG LYS A 37 8.797 2.729 -10.851 1.00 0.00 C ATOM 565 CD LYS A 37 7.980 3.971 -11.174 1.00 0.00 C ATOM 566 CE LYS A 37 8.833 5.049 -11.821 1.00 0.00 C ATOM 567 NZ LYS A 37 8.456 6.412 -11.353 1.00 0.00 N ATOM 0 H LYS A 37 8.359 1.436 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 37 10.388 2.700 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.623 1.117 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.428 2.382 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.859 2.964 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.594 1.956 -11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.161 3.705 -11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.532 4.361 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.883 4.865 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.726 4.995 -12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.964 7.125 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.431 6.547 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.709 6.517 -10.350 1.00 0.00 H new ATOM 581 N ASN A 38 8.031 4.648 -7.439 1.00 0.00 N ATOM 582 CA ASN A 38 7.642 6.040 -7.244 1.00 0.00 C ATOM 583 C ASN A 38 8.530 6.726 -6.204 1.00 0.00 C ATOM 584 O ASN A 38 8.347 7.906 -5.905 1.00 0.00 O ATOM 585 CB ASN A 38 6.177 6.123 -6.811 1.00 0.00 C ATOM 586 CG ASN A 38 5.221 5.980 -7.979 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.657 6.964 -8.459 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.032 4.750 -8.442 1.00 0.00 N ATOM 0 H ASN A 38 7.474 3.976 -6.911 1.00 0.00 H new ATOM 0 HA ASN A 38 7.769 6.558 -8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.972 5.341 -6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.001 7.078 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.399 4.592 -9.226 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.520 3.963 -8.014 1.00 0.00 H new ATOM 595 N ASP A 39 9.489 5.984 -5.653 1.00 0.00 N ATOM 596 CA ASP A 39 10.397 6.529 -4.649 1.00 0.00 C ATOM 597 C ASP A 39 9.647 6.868 -3.365 1.00 0.00 C ATOM 598 O ASP A 39 9.934 7.872 -2.713 1.00 0.00 O ATOM 599 CB ASP A 39 11.104 7.774 -5.188 1.00 0.00 C ATOM 600 CG ASP A 39 12.573 7.813 -4.814 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.876 7.932 -3.608 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.420 7.723 -5.727 1.00 0.00 O ATOM 0 H ASP A 39 9.656 5.005 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 39 11.145 5.769 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.008 7.802 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.610 8.665 -4.801 1.00 0.00 H new ATOM 607 N TYR A 40 8.685 6.023 -3.006 1.00 0.00 N ATOM 608 CA TYR A 40 7.894 6.232 -1.799 1.00 0.00 C ATOM 609 C TYR A 40 8.421 5.378 -0.650 1.00 0.00 C ATOM 610 O TYR A 40 8.537 5.846 0.482 1.00 0.00 O ATOM 611 CB TYR A 40 6.424 5.902 -2.064 1.00 0.00 C ATOM 612 CG TYR A 40 5.639 7.054 -2.647 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.988 7.608 -3.872 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.549 7.589 -1.972 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.273 8.663 -4.408 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.829 8.644 -2.502 1.00 0.00 C ATOM 617 CZ TYR A 40 4.195 9.177 -3.719 1.00 0.00 C ATOM 618 OH TYR A 40 3.481 10.226 -4.249 1.00 0.00 O ATOM 0 H TYR A 40 8.435 5.187 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 40 7.977 7.281 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.368 5.054 -2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.956 5.591 -1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.832 7.208 -4.415 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.259 7.174 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.557 9.082 -5.362 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.984 9.048 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 40 2.753 10.467 -3.639 1.00 0.00 H new ATOM 628 N PHE A 41 8.736 4.123 -0.950 1.00 0.00 N ATOM 629 CA PHE A 41 9.250 3.202 0.057 1.00 0.00 C ATOM 630 C PHE A 41 10.777 3.207 0.070 1.00 0.00 C ATOM 631 O PHE A 41 11.413 3.749 -0.833 1.00 0.00 O ATOM 632 CB PHE A 41 8.734 1.785 -0.204 1.00 0.00 C ATOM 633 CG PHE A 41 7.597 1.385 0.693 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.435 2.138 0.739 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.692 0.257 1.491 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.388 1.772 1.563 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.649 -0.114 2.318 1.00 0.00 C ATOM 638 CZ PHE A 41 5.496 0.645 2.354 1.00 0.00 C ATOM 0 H PHE A 41 8.644 3.720 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 41 8.895 3.535 1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.410 1.710 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.554 1.079 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.347 3.021 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.592 -0.340 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.487 2.366 1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.735 -0.996 2.935 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.680 0.358 3.000 1.00 0.00 H new ATOM 648 N SER A 42 11.356 2.600 1.101 1.00 0.00 N ATOM 649 CA SER A 42 12.807 2.534 1.232 1.00 0.00 C ATOM 650 C SER A 42 13.283 1.086 1.269 1.00 0.00 C ATOM 651 O SER A 42 12.478 0.159 1.365 1.00 0.00 O ATOM 652 CB SER A 42 13.259 3.264 2.498 1.00 0.00 C ATOM 653 OG SER A 42 12.344 4.287 2.852 1.00 0.00 O ATOM 0 H SER A 42 10.843 2.147 1.857 1.00 0.00 H new ATOM 0 HA SER A 42 13.249 3.021 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.349 2.553 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.248 3.695 2.340 1.00 0.00 H new ATOM 0 HG SER A 42 11.641 3.914 3.424 1.00 0.00 H new ATOM 659 N ALA A 43 14.596 0.897 1.192 1.00 0.00 N ATOM 660 CA ALA A 43 15.178 -0.439 1.217 1.00 0.00 C ATOM 661 C ALA A 43 14.958 -1.108 2.569 1.00 0.00 C ATOM 662 O ALA A 43 14.833 -2.330 2.655 1.00 0.00 O ATOM 663 CB ALA A 43 16.664 -0.373 0.894 1.00 0.00 C ATOM 0 H ALA A 43 15.277 1.652 1.112 1.00 0.00 H new ATOM 0 HA ALA A 43 14.678 -1.041 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.086 -1.378 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.802 0.057 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.170 0.249 1.632 1.00 0.00 H new ATOM 669 N GLU A 44 14.910 -0.300 3.623 1.00 0.00 N ATOM 670 CA GLU A 44 14.703 -0.815 4.972 1.00 0.00 C ATOM 671 C GLU A 44 13.278 -1.329 5.145 1.00 0.00 C ATOM 672 O GLU A 44 13.058 -2.403 5.704 1.00 0.00 O ATOM 673 CB GLU A 44 14.995 0.274 6.006 1.00 0.00 C ATOM 674 CG GLU A 44 16.323 0.979 5.790 1.00 0.00 C ATOM 675 CD GLU A 44 16.293 2.429 6.234 1.00 0.00 C ATOM 676 OE1 GLU A 44 15.695 3.258 5.517 1.00 0.00 O ATOM 677 OE2 GLU A 44 16.869 2.735 7.300 1.00 0.00 O ATOM 0 H GLU A 44 15.012 0.714 3.569 1.00 0.00 H new ATOM 0 HA GLU A 44 15.391 -1.646 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.193 1.012 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.987 -0.170 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.104 0.451 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.588 0.932 4.734 1.00 0.00 H new ATOM 684 N ASP A 45 12.312 -0.554 4.662 1.00 0.00 N ATOM 685 CA ASP A 45 10.907 -0.930 4.762 1.00 0.00 C ATOM 686 C ASP A 45 10.634 -2.224 4.003 1.00 0.00 C ATOM 687 O ASP A 45 10.018 -3.149 4.533 1.00 0.00 O ATOM 688 CB ASP A 45 10.018 0.190 4.219 1.00 0.00 C ATOM 689 CG ASP A 45 9.935 1.372 5.165 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.477 1.185 6.311 1.00 0.00 O ATOM 691 OD2 ASP A 45 10.330 2.486 4.760 1.00 0.00 O ATOM 0 H ASP A 45 12.477 0.339 4.197 1.00 0.00 H new ATOM 0 HA ASP A 45 10.675 -1.092 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.407 0.525 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.016 -0.200 4.040 1.00 0.00 H new ATOM 696 N ALA A 46 11.095 -2.283 2.757 1.00 0.00 N ATOM 697 CA ALA A 46 10.899 -3.464 1.925 1.00 0.00 C ATOM 698 C ALA A 46 11.538 -4.695 2.558 1.00 0.00 C ATOM 699 O ALA A 46 11.068 -5.817 2.366 1.00 0.00 O ATOM 700 CB ALA A 46 11.468 -3.227 0.534 1.00 0.00 C ATOM 0 H ALA A 46 11.607 -1.527 2.302 1.00 0.00 H new ATOM 0 HA ALA A 46 9.828 -3.647 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.316 -4.116 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.962 -2.379 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.535 -3.016 0.608 1.00 0.00 H new ATOM 706 N GLU A 47 12.611 -4.478 3.312 1.00 0.00 N ATOM 707 CA GLU A 47 13.314 -5.572 3.972 1.00 0.00 C ATOM 708 C GLU A 47 12.443 -6.205 5.054 1.00 0.00 C ATOM 709 O GLU A 47 12.514 -7.410 5.296 1.00 0.00 O ATOM 710 CB GLU A 47 14.626 -5.069 4.579 1.00 0.00 C ATOM 711 CG GLU A 47 15.855 -5.794 4.059 1.00 0.00 C ATOM 712 CD GLU A 47 17.146 -5.082 4.411 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.356 -4.793 5.608 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.946 -4.812 3.492 1.00 0.00 O ATOM 0 H GLU A 47 13.012 -3.556 3.481 1.00 0.00 H new ATOM 0 HA GLU A 47 13.538 -6.333 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.728 -4.004 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.581 -5.179 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.878 -6.803 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.783 -5.893 2.976 1.00 0.00 H new ATOM 721 N ILE A 48 11.623 -5.385 5.703 1.00 0.00 N ATOM 722 CA ILE A 48 10.740 -5.864 6.759 1.00 0.00 C ATOM 723 C ILE A 48 9.568 -6.649 6.180 1.00 0.00 C ATOM 724 O ILE A 48 9.150 -7.663 6.740 1.00 0.00 O ATOM 725 CB ILE A 48 10.196 -4.701 7.610 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.341 -3.795 8.069 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.425 -5.236 8.808 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.887 -2.416 8.493 1.00 0.00 C ATOM 0 H ILE A 48 11.552 -4.385 5.516 1.00 0.00 H new ATOM 0 HA ILE A 48 11.335 -6.520 7.395 1.00 0.00 H new ATOM 0 HB ILE A 48 9.514 -4.111 6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.858 -4.271 8.902 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.064 -3.698 7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.047 -4.402 9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.589 -5.843 8.461 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.086 -5.847 9.423 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.750 -1.829 8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.396 -1.921 7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.187 -2.503 9.324 1.00 0.00 H new ATOM 740 N VAL A 49 9.041 -6.175 5.055 1.00 0.00 N ATOM 741 CA VAL A 49 7.918 -6.835 4.403 1.00 0.00 C ATOM 742 C VAL A 49 8.273 -8.267 4.013 1.00 0.00 C ATOM 743 O VAL A 49 7.676 -9.221 4.509 1.00 0.00 O ATOM 744 CB VAL A 49 7.468 -6.069 3.144 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.179 -6.657 2.592 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.299 -4.589 3.453 1.00 0.00 C ATOM 0 H VAL A 49 9.374 -5.337 4.578 1.00 0.00 H new ATOM 0 HA VAL A 49 7.099 -6.849 5.122 1.00 0.00 H new ATOM 0 HB VAL A 49 8.241 -6.172 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.877 -6.103 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.339 -7.703 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.395 -6.588 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.981 -4.063 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.546 -4.463 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.248 -4.178 3.797 1.00 0.00 H new ATOM 756 N CYS A 50 9.249 -8.407 3.123 1.00 0.00 N ATOM 757 CA CYS A 50 9.687 -9.721 2.667 1.00 0.00 C ATOM 758 C CYS A 50 10.158 -10.577 3.839 1.00 0.00 C ATOM 759 O CYS A 50 10.071 -11.805 3.797 1.00 0.00 O ATOM 760 CB CYS A 50 10.812 -9.579 1.640 1.00 0.00 C ATOM 761 SG CYS A 50 10.236 -9.371 -0.061 1.00 0.00 S ATOM 0 H CYS A 50 9.752 -7.626 2.703 1.00 0.00 H new ATOM 0 HA CYS A 50 8.836 -10.216 2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.430 -8.723 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.450 -10.462 1.691 1.00 0.00 H new ATOM 0 HG CYS A 50 11.259 -9.257 -0.855 1.00 0.00 H new ATOM 767 N ALA A 51 10.657 -9.922 4.882 1.00 0.00 N ATOM 768 CA ALA A 51 11.142 -10.623 6.066 1.00 0.00 C ATOM 769 C ALA A 51 10.055 -11.502 6.675 1.00 0.00 C ATOM 770 O ALA A 51 10.348 -12.470 7.376 1.00 0.00 O ATOM 771 CB ALA A 51 11.654 -9.625 7.094 1.00 0.00 C ATOM 0 H ALA A 51 10.736 -8.906 4.932 1.00 0.00 H new ATOM 0 HA ALA A 51 11.963 -11.272 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.013 -10.160 7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.470 -9.045 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.846 -8.954 7.383 1.00 0.00 H new ATOM 777 N CYS A 52 8.797 -11.161 6.406 1.00 0.00 N ATOM 778 CA CYS A 52 7.668 -11.922 6.931 1.00 0.00 C ATOM 779 C CYS A 52 7.776 -13.397 6.546 1.00 0.00 C ATOM 780 O CYS A 52 8.314 -13.734 5.492 1.00 0.00 O ATOM 781 CB CYS A 52 6.350 -11.344 6.412 1.00 0.00 C ATOM 782 SG CYS A 52 5.891 -9.765 7.162 1.00 0.00 S ATOM 0 H CYS A 52 8.535 -10.363 5.828 1.00 0.00 H new ATOM 0 HA CYS A 52 7.688 -11.847 8.018 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.423 -11.214 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.553 -12.065 6.593 1.00 0.00 H new ATOM 0 HG CYS A 52 6.440 -8.793 6.497 1.00 0.00 H new ATOM 788 N PRO A 53 7.264 -14.299 7.402 1.00 0.00 N ATOM 789 CA PRO A 53 7.306 -15.740 7.147 1.00 0.00 C ATOM 790 C PRO A 53 6.292 -16.173 6.093 1.00 0.00 C ATOM 791 O PRO A 53 6.562 -17.063 5.286 1.00 0.00 O ATOM 792 CB PRO A 53 6.956 -16.345 8.505 1.00 0.00 C ATOM 793 CG PRO A 53 6.100 -15.319 9.162 1.00 0.00 C ATOM 794 CD PRO A 53 6.604 -13.983 8.683 1.00 0.00 C ATOM 0 HA PRO A 53 8.273 -16.059 6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.426 -17.291 8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.852 -16.549 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.052 -15.458 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.166 -15.394 10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.789 -13.272 8.549 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.301 -13.539 9.394 1.00 0.00 H new ATOM 802 N THR A 54 5.124 -15.537 6.106 1.00 0.00 N ATOM 803 CA THR A 54 4.069 -15.856 5.152 1.00 0.00 C ATOM 804 C THR A 54 3.673 -14.622 4.346 1.00 0.00 C ATOM 805 O THR A 54 4.202 -13.532 4.562 1.00 0.00 O ATOM 806 CB THR A 54 2.847 -16.418 5.881 1.00 0.00 C ATOM 807 OG1 THR A 54 2.373 -15.499 6.849 1.00 0.00 O ATOM 808 CG2 THR A 54 3.121 -17.727 6.586 1.00 0.00 C ATOM 0 H THR A 54 4.885 -14.798 6.767 1.00 0.00 H new ATOM 0 HA THR A 54 4.451 -16.610 4.464 1.00 0.00 H new ATOM 0 HB THR A 54 2.102 -16.591 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.591 -15.876 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.213 -18.070 7.082 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.440 -18.473 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.908 -17.584 7.327 1.00 0.00 H new ATOM 816 N GLN A 55 2.742 -14.802 3.415 1.00 0.00 N ATOM 817 CA GLN A 55 2.276 -13.704 2.575 1.00 0.00 C ATOM 818 C GLN A 55 1.326 -12.789 3.346 1.00 0.00 C ATOM 819 O GLN A 55 1.534 -11.577 3.408 1.00 0.00 O ATOM 820 CB GLN A 55 1.583 -14.249 1.324 1.00 0.00 C ATOM 821 CG GLN A 55 2.146 -13.692 0.026 1.00 0.00 C ATOM 822 CD GLN A 55 3.443 -14.361 -0.381 1.00 0.00 C ATOM 823 OE1 GLN A 55 4.536 -13.607 -0.337 1.00 0.00 O flip ATOM 824 NE2 GLN A 55 3.464 -15.540 -0.730 1.00 0.00 N flip ATOM 0 H GLN A 55 2.295 -15.698 3.223 1.00 0.00 H new ATOM 0 HA GLN A 55 3.144 -13.118 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.673 -15.335 1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.519 -14.018 1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.411 -13.819 -0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.313 -12.621 0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.600 -16.082 -0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.345 -15.976 -1.001 1.00 0.00 H new ATOM 833 N PRO A 56 0.267 -13.359 3.948 1.00 0.00 N ATOM 834 CA PRO A 56 -0.714 -12.586 4.716 1.00 0.00 C ATOM 835 C PRO A 56 -0.054 -11.673 5.745 1.00 0.00 C ATOM 836 O PRO A 56 -0.599 -10.629 6.104 1.00 0.00 O ATOM 837 CB PRO A 56 -1.546 -13.664 5.415 1.00 0.00 C ATOM 838 CG PRO A 56 -1.433 -14.857 4.532 1.00 0.00 C ATOM 839 CD PRO A 56 -0.057 -14.798 3.927 1.00 0.00 C ATOM 0 HA PRO A 56 -1.299 -11.922 4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.165 -13.873 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.584 -13.352 5.529 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.570 -15.777 5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.200 -14.843 3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.661 -15.380 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.047 -15.197 2.913 1.00 0.00 H new ATOM 847 N ASP A 57 1.123 -12.071 6.214 1.00 0.00 N ATOM 848 CA ASP A 57 1.859 -11.289 7.200 1.00 0.00 C ATOM 849 C ASP A 57 2.466 -10.045 6.561 1.00 0.00 C ATOM 850 O ASP A 57 2.577 -8.997 7.199 1.00 0.00 O ATOM 851 CB ASP A 57 2.960 -12.139 7.839 1.00 0.00 C ATOM 852 CG ASP A 57 2.539 -12.720 9.175 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.812 -13.734 9.179 1.00 0.00 O ATOM 854 OD2 ASP A 57 2.939 -12.160 10.217 1.00 0.00 O ATOM 0 H ASP A 57 1.589 -12.932 5.927 1.00 0.00 H new ATOM 0 HA ASP A 57 1.159 -10.974 7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.229 -12.950 7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.853 -11.529 7.976 1.00 0.00 H new ATOM 859 N LYS A 58 2.857 -10.166 5.296 1.00 0.00 N ATOM 860 CA LYS A 58 3.453 -9.051 4.569 1.00 0.00 C ATOM 861 C LYS A 58 2.444 -7.922 4.380 1.00 0.00 C ATOM 862 O LYS A 58 2.806 -6.746 4.389 1.00 0.00 O ATOM 863 CB LYS A 58 3.971 -9.521 3.209 1.00 0.00 C ATOM 864 CG LYS A 58 4.961 -10.671 3.300 1.00 0.00 C ATOM 865 CD LYS A 58 5.147 -11.354 1.953 1.00 0.00 C ATOM 866 CE LYS A 58 6.309 -10.755 1.178 1.00 0.00 C ATOM 867 NZ LYS A 58 7.340 -11.776 0.842 1.00 0.00 N ATOM 0 H LYS A 58 2.772 -11.025 4.753 1.00 0.00 H new ATOM 0 HA LYS A 58 4.289 -8.672 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.125 -9.828 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.447 -8.682 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.921 -10.298 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.610 -11.398 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.321 -12.419 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.232 -11.261 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.937 -10.300 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.765 -9.959 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.181 -11.305 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.604 -12.299 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.956 -12.439 0.138 1.00 0.00 H new ATOM 881 N VAL A 59 1.179 -8.290 4.207 1.00 0.00 N ATOM 882 CA VAL A 59 0.118 -7.308 4.015 1.00 0.00 C ATOM 883 C VAL A 59 -0.034 -6.416 5.241 1.00 0.00 C ATOM 884 O VAL A 59 -0.310 -5.222 5.123 1.00 0.00 O ATOM 885 CB VAL A 59 -1.233 -7.989 3.718 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.293 -6.953 3.366 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.083 -9.012 2.600 1.00 0.00 C ATOM 0 H VAL A 59 0.864 -9.260 4.196 1.00 0.00 H new ATOM 0 HA VAL A 59 0.404 -6.698 3.158 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.558 -8.513 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.238 -7.455 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.422 -6.266 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.978 -6.396 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.047 -9.482 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.732 -8.514 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.362 -9.773 2.898 1.00 0.00 H new ATOM 897 N ARG A 60 0.146 -7.003 6.420 1.00 0.00 N ATOM 898 CA ARG A 60 0.027 -6.260 7.670 1.00 0.00 C ATOM 899 C ARG A 60 1.219 -5.330 7.866 1.00 0.00 C ATOM 900 O ARG A 60 1.096 -4.266 8.474 1.00 0.00 O ATOM 901 CB ARG A 60 -0.080 -7.226 8.852 1.00 0.00 C ATOM 902 CG ARG A 60 -0.619 -6.578 10.118 1.00 0.00 C ATOM 903 CD ARG A 60 0.213 -6.953 11.335 1.00 0.00 C ATOM 904 NE ARG A 60 -0.527 -6.770 12.581 1.00 0.00 N ATOM 905 CZ ARG A 60 0.048 -6.676 13.778 1.00 0.00 C ATOM 906 NH1 ARG A 60 1.368 -6.748 13.895 1.00 0.00 N ATOM 907 NH2 ARG A 60 -0.698 -6.511 14.861 1.00 0.00 N ATOM 0 H ARG A 60 0.375 -7.990 6.536 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.878 -5.655 7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.728 -8.057 8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.905 -7.645 9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.624 -5.494 9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.653 -6.886 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.530 -7.992 11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.117 -6.345 11.358 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.544 -6.711 12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.947 -6.876 13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.803 -6.675 14.815 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.713 -6.456 14.778 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.257 -6.439 15.778 1.00 0.00 H new ATOM 921 N LYS A 61 2.374 -5.737 7.349 1.00 0.00 N ATOM 922 CA LYS A 61 3.589 -4.939 7.470 1.00 0.00 C ATOM 923 C LYS A 61 3.536 -3.721 6.553 1.00 0.00 C ATOM 924 O LYS A 61 3.925 -2.621 6.944 1.00 0.00 O ATOM 925 CB LYS A 61 4.817 -5.788 7.137 1.00 0.00 C ATOM 926 CG LYS A 61 6.134 -5.061 7.350 1.00 0.00 C ATOM 927 CD LYS A 61 6.296 -4.609 8.793 1.00 0.00 C ATOM 928 CE LYS A 61 6.323 -5.792 9.748 1.00 0.00 C ATOM 929 NZ LYS A 61 5.000 -6.014 10.394 1.00 0.00 N ATOM 0 H LYS A 61 2.494 -6.614 6.843 1.00 0.00 H new ATOM 0 HA LYS A 61 3.663 -4.592 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.804 -6.688 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.754 -6.112 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.961 -5.717 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.184 -4.196 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.218 -4.037 8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.476 -3.943 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.617 -6.690 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.078 -5.622 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.141 -6.364 11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.473 -5.118 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.460 -6.715 9.848 1.00 0.00 H new ATOM 943 N ILE A 62 3.053 -3.925 5.332 1.00 0.00 N ATOM 944 CA ILE A 62 2.950 -2.843 4.361 1.00 0.00 C ATOM 945 C ILE A 62 1.927 -1.802 4.803 1.00 0.00 C ATOM 946 O ILE A 62 2.055 -0.619 4.489 1.00 0.00 O ATOM 947 CB ILE A 62 2.559 -3.374 2.966 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.495 -4.509 2.547 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.591 -2.249 1.942 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.831 -5.543 1.663 1.00 0.00 C ATOM 0 H ILE A 62 2.727 -4.830 4.992 1.00 0.00 H new ATOM 0 HA ILE A 62 3.934 -2.377 4.301 1.00 0.00 H new ATOM 0 HB ILE A 62 1.543 -3.765 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.351 -4.088 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.881 -5.000 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.313 -2.640 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.887 -1.470 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.596 -1.830 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.553 -6.318 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.992 -5.992 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.470 -5.065 0.752 1.00 0.00 H new ATOM 962 N LEU A 63 0.910 -2.250 5.534 1.00 0.00 N ATOM 963 CA LEU A 63 -0.134 -1.356 6.020 1.00 0.00 C ATOM 964 C LEU A 63 0.381 -0.486 7.161 1.00 0.00 C ATOM 965 O LEU A 63 0.120 0.716 7.207 1.00 0.00 O ATOM 966 CB LEU A 63 -1.349 -2.160 6.486 1.00 0.00 C ATOM 967 CG LEU A 63 -2.085 -2.920 5.381 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.834 -4.110 5.959 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.042 -1.993 4.645 1.00 0.00 C ATOM 0 H LEU A 63 0.788 -3.226 5.802 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.431 -0.706 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.025 -2.874 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.052 -1.481 6.969 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.348 -3.292 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.351 -4.638 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.127 -4.785 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.561 -3.761 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.558 -2.549 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.773 -1.593 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.482 -1.172 4.198 1.00 0.00 H new ATOM 981 N ASP A 64 1.114 -1.102 8.084 1.00 0.00 N ATOM 982 CA ASP A 64 1.666 -0.385 9.227 1.00 0.00 C ATOM 983 C ASP A 64 2.655 0.684 8.773 1.00 0.00 C ATOM 984 O ASP A 64 2.723 1.768 9.353 1.00 0.00 O ATOM 985 CB ASP A 64 2.354 -1.360 10.184 1.00 0.00 C ATOM 986 CG ASP A 64 2.300 -0.891 11.624 1.00 0.00 C ATOM 987 OD1 ASP A 64 1.260 -1.108 12.281 1.00 0.00 O ATOM 988 OD2 ASP A 64 3.298 -0.307 12.097 1.00 0.00 O ATOM 0 H ASP A 64 1.339 -2.097 8.062 1.00 0.00 H new ATOM 0 HA ASP A 64 0.844 0.105 9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.879 -2.338 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.394 -1.486 9.884 1.00 0.00 H new ATOM 993 N LEU A 65 3.423 0.370 7.735 1.00 0.00 N ATOM 994 CA LEU A 65 4.411 1.303 7.204 1.00 0.00 C ATOM 995 C LEU A 65 3.731 2.478 6.508 1.00 0.00 C ATOM 996 O LEU A 65 3.976 3.636 6.843 1.00 0.00 O ATOM 997 CB LEU A 65 5.345 0.588 6.226 1.00 0.00 C ATOM 998 CG LEU A 65 6.265 -0.457 6.857 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.923 -1.308 5.782 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.318 0.216 7.726 1.00 0.00 C ATOM 0 H LEU A 65 3.380 -0.523 7.245 1.00 0.00 H new ATOM 0 HA LEU A 65 4.996 1.687 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.741 0.103 5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.959 1.334 5.723 1.00 0.00 H new ATOM 0 HG LEU A 65 5.663 -1.109 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.574 -2.046 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.155 -1.818 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.512 -0.670 5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.964 -0.543 8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.916 0.892 7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.828 0.781 8.519 1.00 0.00 H new ATOM 1012 N VAL A 66 2.879 2.171 5.536 1.00 0.00 N ATOM 1013 CA VAL A 66 2.165 3.201 4.792 1.00 0.00 C ATOM 1014 C VAL A 66 1.307 4.055 5.721 1.00 0.00 C ATOM 1015 O VAL A 66 1.099 5.243 5.474 1.00 0.00 O ATOM 1016 CB VAL A 66 1.266 2.587 3.700 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.654 3.678 2.834 1.00 0.00 C ATOM 1018 CG2 VAL A 66 2.055 1.600 2.851 1.00 0.00 C ATOM 0 H VAL A 66 2.666 1.217 5.245 1.00 0.00 H new ATOM 0 HA VAL A 66 2.920 3.829 4.319 1.00 0.00 H new ATOM 0 HB VAL A 66 0.455 2.045 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.023 3.225 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.052 4.341 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.448 4.251 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.404 1.177 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.889 2.115 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.438 0.800 3.485 1.00 0.00 H new ATOM 1028 N GLN A 67 0.811 3.441 6.790 1.00 0.00 N ATOM 1029 CA GLN A 67 -0.024 4.144 7.756 1.00 0.00 C ATOM 1030 C GLN A 67 0.817 5.062 8.637 1.00 0.00 C ATOM 1031 O GLN A 67 0.406 6.177 8.958 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.787 3.143 8.626 1.00 0.00 C ATOM 1033 CG GLN A 67 -2.028 2.578 7.955 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.802 1.637 8.859 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -4.007 1.797 9.055 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -2.111 0.649 9.415 1.00 0.00 N ATOM 0 H GLN A 67 0.973 2.458 7.009 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.738 4.755 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.121 2.322 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.077 3.630 9.557 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.677 3.399 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.737 2.048 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.113 0.554 9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.578 -0.015 10.032 1.00 0.00 H new ATOM 1045 N SER A 68 1.995 4.586 9.024 1.00 0.00 N ATOM 1046 CA SER A 68 2.895 5.366 9.868 1.00 0.00 C ATOM 1047 C SER A 68 3.407 6.595 9.127 1.00 0.00 C ATOM 1048 O SER A 68 3.626 7.648 9.727 1.00 0.00 O ATOM 1049 CB SER A 68 4.073 4.504 10.326 1.00 0.00 C ATOM 1050 OG SER A 68 3.774 3.835 11.540 1.00 0.00 O ATOM 0 H SER A 68 2.350 3.665 8.768 1.00 0.00 H new ATOM 0 HA SER A 68 2.336 5.699 10.742 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.315 3.773 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.955 5.130 10.460 1.00 0.00 H new ATOM 0 HG SER A 68 4.542 3.290 11.811 1.00 0.00 H new ATOM 1056 N LYS A 69 3.598 6.455 7.819 1.00 0.00 N ATOM 1057 CA LYS A 69 4.086 7.554 6.995 1.00 0.00 C ATOM 1058 C LYS A 69 3.124 8.736 7.040 1.00 0.00 C ATOM 1059 O LYS A 69 3.392 9.743 7.695 1.00 0.00 O ATOM 1060 CB LYS A 69 4.277 7.090 5.550 1.00 0.00 C ATOM 1061 CG LYS A 69 5.422 6.106 5.374 1.00 0.00 C ATOM 1062 CD LYS A 69 5.481 5.568 3.954 1.00 0.00 C ATOM 1063 CE LYS A 69 6.338 4.315 3.868 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.744 4.629 3.491 1.00 0.00 N ATOM 0 H LYS A 69 3.422 5.590 7.307 1.00 0.00 H new ATOM 0 HA LYS A 69 5.047 7.876 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.354 6.627 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.456 7.960 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.365 6.596 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.302 5.278 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.472 5.345 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.885 6.333 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.326 3.800 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.909 3.632 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.319 3.764 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.768 5.004 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.129 5.339 4.146 1.00 0.00 H new ATOM 1078 N GLY A 70 2.002 8.608 6.338 1.00 0.00 N ATOM 1079 CA GLY A 70 1.018 9.673 6.312 1.00 0.00 C ATOM 1080 C GLY A 70 0.005 9.502 5.198 1.00 0.00 C ATOM 1081 O GLY A 70 -0.130 8.416 4.632 1.00 0.00 O ATOM 0 H GLY A 70 1.758 7.785 5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.498 9.706 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.526 10.630 6.192 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.711 10.576 4.882 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.718 10.543 3.828 1.00 0.00 C ATOM 1087 C GLU A 71 -1.066 10.525 2.448 1.00 0.00 C ATOM 1088 O GLU A 71 -1.638 10.008 1.488 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.653 11.748 3.948 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.912 11.464 4.751 1.00 0.00 C ATOM 1091 CD GLU A 71 -5.055 12.392 4.390 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.787 13.570 4.074 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -6.219 11.940 4.422 1.00 0.00 O ATOM 0 H GLU A 71 -0.612 11.481 5.342 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.299 9.628 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.113 12.572 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.936 12.078 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.220 10.432 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.691 11.562 5.814 1.00 0.00 H new ATOM 1100 N GLU A 72 0.132 11.094 2.355 1.00 0.00 N ATOM 1101 CA GLU A 72 0.860 11.145 1.092 1.00 0.00 C ATOM 1102 C GLU A 72 1.056 9.744 0.517 1.00 0.00 C ATOM 1103 O GLU A 72 0.927 9.534 -0.689 1.00 0.00 O ATOM 1104 CB GLU A 72 2.217 11.826 1.290 1.00 0.00 C ATOM 1105 CG GLU A 72 2.474 12.964 0.317 1.00 0.00 C ATOM 1106 CD GLU A 72 2.285 14.327 0.952 1.00 0.00 C ATOM 1107 OE1 GLU A 72 1.123 14.771 1.071 1.00 0.00 O ATOM 1108 OE2 GLU A 72 3.298 14.951 1.332 1.00 0.00 O ATOM 0 H GLU A 72 0.619 11.526 3.140 1.00 0.00 H new ATOM 0 HA GLU A 72 0.270 11.726 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.276 12.210 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.007 11.082 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.490 12.885 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.801 12.868 -0.535 1.00 0.00 H new ATOM 1115 N VAL A 73 1.366 8.790 1.389 1.00 0.00 N ATOM 1116 CA VAL A 73 1.578 7.411 0.967 1.00 0.00 C ATOM 1117 C VAL A 73 0.302 6.589 1.115 1.00 0.00 C ATOM 1118 O VAL A 73 0.065 5.649 0.355 1.00 0.00 O ATOM 1119 CB VAL A 73 2.702 6.741 1.779 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.043 5.377 1.198 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.934 7.634 1.821 1.00 0.00 C ATOM 0 H VAL A 73 1.476 8.947 2.391 1.00 0.00 H new ATOM 0 HA VAL A 73 1.868 7.443 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 73 2.350 6.596 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.839 4.920 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.160 4.739 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.375 5.494 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.718 7.145 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.289 7.812 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.678 8.585 2.288 1.00 0.00 H new ATOM 1131 N SER A 74 -0.517 6.949 2.098 1.00 0.00 N ATOM 1132 CA SER A 74 -1.770 6.244 2.346 1.00 0.00 C ATOM 1133 C SER A 74 -2.689 6.327 1.131 1.00 0.00 C ATOM 1134 O SER A 74 -3.372 5.361 0.791 1.00 0.00 O ATOM 1135 CB SER A 74 -2.473 6.826 3.572 1.00 0.00 C ATOM 1136 OG SER A 74 -3.556 6.008 3.978 1.00 0.00 O ATOM 0 H SER A 74 -0.336 7.724 2.736 1.00 0.00 H new ATOM 0 HA SER A 74 -1.538 5.196 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.760 6.923 4.391 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.836 7.828 3.345 1.00 0.00 H new ATOM 0 HG SER A 74 -3.279 5.450 4.734 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.702 7.487 0.483 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.538 7.695 -0.694 1.00 0.00 C ATOM 1144 C GLU A 75 -3.040 6.862 -1.870 1.00 0.00 C ATOM 1145 O GLU A 75 -3.824 6.204 -2.553 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.557 9.177 -1.075 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.521 9.502 -2.205 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.840 10.981 -2.291 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.002 11.796 -1.853 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.930 11.326 -2.796 1.00 0.00 O ATOM 0 H GLU A 75 -2.144 8.297 0.753 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.551 7.376 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.826 9.766 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.552 9.482 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.092 9.171 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.445 8.942 -2.061 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.732 6.894 -2.100 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.128 6.141 -3.194 1.00 0.00 C ATOM 1159 C PHE A 76 -1.378 4.646 -3.027 1.00 0.00 C ATOM 1160 O PHE A 76 -1.755 3.960 -3.977 1.00 0.00 O ATOM 1161 CB PHE A 76 0.375 6.415 -3.261 1.00 0.00 C ATOM 1162 CG PHE A 76 1.012 5.958 -4.542 1.00 0.00 C ATOM 1163 CD1 PHE A 76 1.025 6.782 -5.656 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.596 4.706 -4.632 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.610 6.365 -6.837 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.183 4.283 -5.810 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.190 5.115 -6.914 1.00 0.00 C ATOM 0 H PHE A 76 -1.069 7.433 -1.543 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.591 6.467 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.547 7.485 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.864 5.918 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.573 7.761 -5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.593 4.052 -3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.613 7.017 -7.698 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.635 3.304 -5.868 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.649 4.787 -7.835 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.167 4.147 -1.813 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.369 2.733 -1.522 1.00 0.00 C ATOM 1179 C PHE A 77 -2.814 2.324 -1.786 1.00 0.00 C ATOM 1180 O PHE A 77 -3.081 1.218 -2.256 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.999 2.432 -0.068 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.995 0.966 0.260 1.00 0.00 C ATOM 1183 CD1 PHE A 77 -0.115 0.103 -0.376 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.870 0.451 1.202 1.00 0.00 C ATOM 1185 CE1 PHE A 77 -0.109 -1.245 -0.076 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.868 -0.896 1.506 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.987 -1.746 0.867 1.00 0.00 C ATOM 0 H PHE A 77 -0.856 4.701 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.721 2.156 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.012 2.845 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.703 2.941 0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.573 0.489 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.562 1.111 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.581 -1.907 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.555 -1.285 2.243 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.984 -2.800 1.103 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.744 3.224 -1.481 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.163 2.957 -1.685 1.00 0.00 C ATOM 1199 C LEU A 78 -5.531 3.074 -3.161 1.00 0.00 C ATOM 1200 O LEU A 78 -6.431 2.387 -3.643 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.010 3.926 -0.857 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.331 3.453 0.562 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.319 4.625 1.532 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.679 2.746 0.594 1.00 0.00 C ATOM 0 H LEU A 78 -3.540 4.144 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.367 1.937 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.488 4.881 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.947 4.108 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.562 2.745 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.549 4.269 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.333 5.089 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.066 5.358 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.893 2.416 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.458 3.433 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.653 1.882 -0.070 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.830 3.950 -3.873 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.084 4.158 -5.294 1.00 0.00 C ATOM 1218 C TYR A 79 -4.751 2.903 -6.095 1.00 0.00 C ATOM 1219 O TYR A 79 -5.454 2.555 -7.043 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.263 5.339 -5.812 1.00 0.00 C ATOM 1221 CG TYR A 79 -4.916 6.074 -6.961 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.079 5.463 -8.199 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.371 7.378 -6.809 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.676 6.130 -9.252 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.970 8.051 -7.856 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.120 7.424 -9.075 1.00 0.00 C ATOM 1227 OH TYR A 79 -6.715 8.091 -10.120 1.00 0.00 O ATOM 0 H TYR A 79 -4.082 4.527 -3.489 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.144 4.378 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.093 6.039 -4.994 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.285 4.978 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.733 4.450 -8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.254 7.874 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.794 5.641 -10.208 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.319 9.064 -7.721 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.971 8.991 -9.830 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.674 2.228 -5.708 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.248 1.012 -6.390 1.00 0.00 C ATOM 1239 C LEU A 80 -4.307 -0.079 -6.272 1.00 0.00 C ATOM 1240 O LEU A 80 -4.484 -0.888 -7.182 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.922 0.516 -5.811 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.762 1.509 -5.907 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.424 1.025 -5.089 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.361 1.720 -7.360 1.00 0.00 C ATOM 0 H LEU A 80 -3.080 2.503 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.111 1.247 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.074 0.259 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.638 -0.402 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.091 2.465 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.239 1.744 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.129 0.926 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.755 0.057 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.465 2.429 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.050 0.769 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.211 2.113 -7.919 1.00 0.00 H new ATOM 1256 N LEU A 81 -5.009 -0.095 -5.144 1.00 0.00 N ATOM 1257 CA LEU A 81 -6.052 -1.087 -4.905 1.00 0.00 C ATOM 1258 C LEU A 81 -7.146 -0.992 -5.964 1.00 0.00 C ATOM 1259 O LEU A 81 -7.773 -1.992 -6.314 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.657 -0.896 -3.513 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.660 -0.993 -2.357 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -6.328 -0.609 -1.045 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.079 -2.396 -2.271 1.00 0.00 C ATOM 0 H LEU A 81 -4.875 0.568 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.598 -2.076 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.142 0.080 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.435 -1.645 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.844 -0.295 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.605 -0.683 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.696 0.415 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.162 -1.283 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.372 -2.447 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.883 -3.113 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.565 -2.635 -3.202 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.369 0.217 -6.472 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.388 0.441 -7.491 1.00 0.00 C ATOM 1277 C GLN A 82 -7.875 0.040 -8.871 1.00 0.00 C ATOM 1278 O GLN A 82 -8.603 -0.554 -9.666 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.815 1.909 -7.499 1.00 0.00 C ATOM 1280 CG GLN A 82 -9.607 2.319 -6.269 1.00 0.00 C ATOM 1281 CD GLN A 82 -9.254 3.712 -5.785 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -9.705 4.724 -6.517 1.00 0.00 O flip ATOM 1283 NE2 GLN A 82 -8.586 3.877 -4.765 1.00 0.00 N flip ATOM 0 H GLN A 82 -6.858 1.055 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.251 -0.180 -7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.927 2.537 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.416 2.099 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.672 2.277 -6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.424 1.603 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.260 3.070 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.358 4.821 -4.452 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.617 0.369 -9.148 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.007 0.042 -10.431 1.00 0.00 C ATOM 1294 C GLN A 83 -5.802 -1.462 -10.568 1.00 0.00 C ATOM 1295 O GLN A 83 -6.114 -2.050 -11.603 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.669 0.768 -10.584 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.806 2.276 -10.715 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.617 2.756 -12.141 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -5.557 3.234 -12.778 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.398 2.631 -12.653 1.00 0.00 N ATOM 0 H GLN A 83 -6.001 0.862 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.683 0.371 -11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.042 0.542 -9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.154 0.381 -11.463 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.791 2.580 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.072 2.761 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.647 2.230 -12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.212 2.936 -13.608 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.273 -2.080 -9.517 1.00 0.00 N ATOM 1310 CA LEU A 84 -5.025 -3.517 -9.518 1.00 0.00 C ATOM 1311 C LEU A 84 -6.333 -4.302 -9.436 1.00 0.00 C ATOM 1312 O LEU A 84 -6.379 -5.483 -9.781 1.00 0.00 O ATOM 1313 CB LEU A 84 -4.116 -3.898 -8.347 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.833 -3.073 -8.228 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -2.298 -3.120 -6.805 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.786 -3.572 -9.212 1.00 0.00 C ATOM 0 H LEU A 84 -5.008 -1.607 -8.653 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.530 -3.772 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.681 -3.798 -7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.846 -4.950 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.066 -2.036 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.385 -2.528 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.044 -2.714 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.081 -4.153 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.880 -2.974 -9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.556 -4.616 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.170 -3.484 -10.228 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.394 -3.641 -8.978 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.700 -4.281 -8.852 1.00 0.00 C ATOM 1330 C ALA A 85 -9.118 -4.955 -10.156 1.00 0.00 C ATOM 1331 O ALA A 85 -9.898 -5.909 -10.151 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.745 -3.262 -8.425 1.00 0.00 C ATOM 0 H ALA A 85 -7.374 -2.663 -8.688 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.623 -5.054 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.715 -3.751 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.464 -2.833 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.807 -2.470 -9.171 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.597 -4.455 -11.272 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.918 -5.011 -12.583 1.00 0.00 C ATOM 1340 C ASP A 86 -8.555 -6.491 -12.652 1.00 0.00 C ATOM 1341 O ASP A 86 -9.370 -7.323 -13.050 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.181 -4.242 -13.680 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.926 -2.995 -14.113 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -8.779 -1.952 -13.441 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.657 -3.061 -15.124 1.00 0.00 O ATOM 0 H ASP A 86 -7.951 -3.666 -11.295 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.992 -4.912 -12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.190 -3.964 -13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.037 -4.893 -14.542 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.325 -6.813 -12.261 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.855 -8.192 -12.279 1.00 0.00 C ATOM 1352 C ALA A 87 -7.315 -8.945 -11.035 1.00 0.00 C ATOM 1353 O ALA A 87 -7.629 -10.135 -11.098 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.338 -8.231 -12.390 1.00 0.00 C ATOM 0 H ALA A 87 -6.637 -6.137 -11.928 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.285 -8.685 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.001 -9.267 -12.402 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.028 -7.737 -13.311 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.897 -7.716 -11.536 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.353 -8.245 -9.906 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.776 -8.848 -8.646 1.00 0.00 C ATOM 1362 C TYR A 88 -9.224 -9.317 -8.727 1.00 0.00 C ATOM 1363 O TYR A 88 -9.867 -9.205 -9.770 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.615 -7.847 -7.500 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.208 -7.778 -6.948 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.138 -7.433 -7.764 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.952 -8.057 -5.612 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.851 -7.369 -7.263 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.669 -7.995 -5.103 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.622 -7.652 -5.933 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.343 -7.588 -5.431 1.00 0.00 O ATOM 0 H TYR A 88 -7.096 -7.260 -9.837 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.143 -9.715 -8.455 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.908 -6.857 -7.850 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.299 -8.116 -6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.314 -7.211 -8.806 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.769 -8.327 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.029 -7.099 -7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.487 -8.214 -4.061 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.356 -7.799 -4.474 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.732 -9.844 -7.617 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.105 -10.332 -7.563 1.00 0.00 C ATOM 1383 C VAL A 89 -11.723 -10.082 -6.190 1.00 0.00 C ATOM 1384 O VAL A 89 -12.849 -9.597 -6.084 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.181 -11.837 -7.881 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -10.888 -12.087 -9.352 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -10.220 -12.618 -6.997 1.00 0.00 C ATOM 0 H VAL A 89 -9.214 -9.944 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.666 -9.781 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.193 -12.184 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.946 -13.156 -9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.620 -11.559 -9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.888 -11.726 -9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.287 -13.679 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.202 -12.271 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.482 -12.464 -5.950 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.978 -10.418 -5.142 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.453 -10.231 -3.775 1.00 0.00 C ATOM 1399 C ASP A 90 -11.785 -8.766 -3.508 1.00 0.00 C ATOM 1400 O ASP A 90 -12.661 -8.455 -2.701 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.399 -10.717 -2.778 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.360 -12.228 -2.669 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -11.424 -12.863 -2.830 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -9.266 -12.778 -2.421 1.00 0.00 O ATOM 0 H ASP A 90 -10.044 -10.821 -5.213 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.363 -10.818 -3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.418 -10.352 -3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.607 -10.290 -1.797 1.00 0.00 H new ATOM 1409 N LEU A 91 -11.080 -7.870 -4.192 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.302 -6.438 -4.031 1.00 0.00 C ATOM 1411 C LEU A 91 -12.083 -5.873 -5.213 1.00 0.00 C ATOM 1412 O LEU A 91 -11.687 -6.036 -6.366 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.965 -5.706 -3.891 1.00 0.00 C ATOM 1414 CG LEU A 91 -9.062 -6.219 -2.768 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.625 -5.777 -2.995 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.564 -5.731 -1.417 1.00 0.00 C ATOM 0 H LEU A 91 -10.350 -8.111 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.888 -6.286 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.425 -5.783 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.163 -4.647 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.091 -7.309 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.997 -6.151 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.268 -6.174 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.578 -4.688 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.910 -6.105 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.565 -4.641 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.577 -6.097 -1.252 1.00 0.00 H new ATOM 1428 N ARG A 92 -13.196 -5.210 -4.916 1.00 0.00 N ATOM 1429 CA ARG A 92 -14.035 -4.621 -5.954 1.00 0.00 C ATOM 1430 C ARG A 92 -15.249 -3.921 -5.343 1.00 0.00 C ATOM 1431 O ARG A 92 -15.425 -2.714 -5.508 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.493 -5.697 -6.944 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.028 -5.448 -8.369 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.888 -6.748 -9.144 1.00 0.00 C ATOM 1435 NE ARG A 92 -15.073 -7.593 -9.015 1.00 0.00 N ATOM 1436 CZ ARG A 92 -15.086 -8.897 -9.281 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -13.982 -9.510 -9.691 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -16.207 -9.592 -9.136 1.00 0.00 N ATOM 0 H ARG A 92 -13.538 -5.067 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.441 -3.878 -6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.120 -6.666 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.581 -5.752 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.739 -4.796 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.071 -4.927 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.714 -6.525 -10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.014 -7.292 -8.785 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.941 -7.158 -8.703 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.117 -8.981 -9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.999 -10.510 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.058 -9.127 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.217 -10.591 -9.340 1.00 0.00 H new ATOM 1452 N PRO A 93 -16.105 -4.673 -4.628 1.00 0.00 N ATOM 1453 CA PRO A 93 -17.304 -4.113 -3.996 1.00 0.00 C ATOM 1454 C PRO A 93 -16.968 -3.186 -2.833 1.00 0.00 C ATOM 1455 O PRO A 93 -17.736 -2.280 -2.507 1.00 0.00 O ATOM 1456 CB PRO A 93 -18.057 -5.349 -3.497 1.00 0.00 C ATOM 1457 CG PRO A 93 -17.006 -6.389 -3.321 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.974 -6.121 -4.382 1.00 0.00 C ATOM 0 HA PRO A 93 -17.880 -3.500 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.573 -5.146 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.813 -5.668 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.565 -6.334 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.425 -7.389 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.972 -6.382 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.166 -6.701 -5.285 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.817 -3.417 -2.209 1.00 0.00 N ATOM 1467 CA TRP A 94 -15.381 -2.600 -1.083 1.00 0.00 C ATOM 1468 C TRP A 94 -15.051 -1.182 -1.535 1.00 0.00 C ATOM 1469 O TRP A 94 -15.317 -0.214 -0.823 1.00 0.00 O ATOM 1470 CB TRP A 94 -14.161 -3.231 -0.410 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.683 -2.470 0.789 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -14.382 -2.224 1.935 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -12.402 -1.853 0.958 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -13.614 -1.493 2.808 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -12.394 -1.251 2.231 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -11.260 -1.751 0.158 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -11.289 -0.559 2.721 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -10.164 -1.063 0.645 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -10.185 -0.476 1.917 1.00 0.00 C ATOM 0 H TRP A 94 -15.170 -4.163 -2.464 1.00 0.00 H new ATOM 0 HA TRP A 94 -16.199 -2.551 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.407 -4.250 -0.110 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.350 -3.299 -1.135 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -15.392 -2.556 2.127 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.904 -1.181 3.735 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -11.234 -2.202 -0.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -11.303 -0.104 3.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -9.277 -0.977 0.035 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.312 0.053 2.270 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.469 -1.066 -2.724 1.00 0.00 N ATOM 1491 CA LEU A 95 -14.101 0.234 -3.273 1.00 0.00 C ATOM 1492 C LEU A 95 -15.341 1.040 -3.644 1.00 0.00 C ATOM 1493 O LEU A 95 -15.443 2.225 -3.325 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.207 0.058 -4.502 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.862 -0.620 -4.232 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.333 -1.277 -5.499 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.858 0.387 -3.693 1.00 0.00 C ATOM 0 H LEU A 95 -14.242 -1.857 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.551 0.780 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.749 -0.526 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.021 1.038 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.010 -1.395 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.376 -1.754 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.045 -2.027 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.199 -0.521 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.907 -0.112 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.713 1.183 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.233 0.813 -2.762 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.283 0.389 -4.320 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.517 1.046 -4.735 1.00 0.00 C ATOM 1511 C LEU A 96 -18.288 1.573 -3.529 1.00 0.00 C ATOM 1512 O LEU A 96 -18.990 2.580 -3.619 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.393 0.075 -5.530 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.706 -0.583 -6.726 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.486 -1.806 -7.184 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -17.554 0.412 -7.867 1.00 0.00 C ATOM 0 H LEU A 96 -16.215 -0.592 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.252 1.891 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.746 -0.707 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.273 0.611 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.712 -0.906 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.982 -2.261 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.543 -2.527 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.493 -1.507 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.063 -0.074 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.538 0.766 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.952 1.258 -7.535 1.00 0.00 H new ATOM 1528 N GLU A 97 -18.152 0.884 -2.399 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.835 1.283 -1.174 1.00 0.00 C ATOM 1530 C GLU A 97 -18.186 2.524 -0.569 1.00 0.00 C ATOM 1531 O GLU A 97 -18.846 3.541 -0.357 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.819 0.139 -0.161 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.962 -0.847 -0.338 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.551 -1.300 0.985 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -20.511 -0.513 1.953 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -21.053 -2.442 1.050 1.00 0.00 O ATOM 0 H GLU A 97 -17.575 0.048 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.869 1.522 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.873 -0.396 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.862 0.555 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.744 -0.386 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.605 -1.717 -0.889 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.889 2.432 -0.294 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.151 3.547 0.288 1.00 0.00 C ATOM 1545 C ILE A 98 -16.165 4.758 -0.638 1.00 0.00 C ATOM 1546 O ILE A 98 -16.170 5.902 -0.180 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.690 3.159 0.585 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.986 2.711 -0.697 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.636 2.062 1.638 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.538 2.324 -0.489 1.00 0.00 C ATOM 0 H ILE A 98 -16.328 1.598 -0.465 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.649 3.802 1.223 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.170 4.034 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.523 1.862 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.037 3.516 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.597 1.799 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.103 2.417 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.170 1.183 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.103 2.017 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.986 3.178 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.480 1.498 0.219 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.171 4.501 -1.941 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.184 5.581 -2.911 1.00 0.00 C ATOM 1564 C GLY A 99 -14.839 6.268 -3.029 1.00 0.00 C ATOM 1565 O GLY A 99 -14.664 7.392 -2.556 1.00 0.00 O ATOM 0 H GLY A 99 -16.167 3.564 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.474 5.187 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.939 6.313 -2.625 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.884 5.594 -3.663 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.547 6.147 -3.842 1.00 0.00 C ATOM 1571 C PHE A 100 -12.358 6.666 -5.264 1.00 0.00 C ATOM 1572 O PHE A 100 -12.506 5.919 -6.232 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.489 5.089 -3.527 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.265 5.645 -2.859 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.420 6.509 -3.536 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.959 5.302 -1.551 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.293 7.021 -2.923 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.832 5.812 -0.932 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.998 6.672 -1.619 1.00 0.00 C ATOM 0 H PHE A 100 -14.012 4.664 -4.061 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.431 6.983 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.929 4.327 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.195 4.594 -4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.645 6.786 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.608 4.629 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.643 7.694 -3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.605 5.538 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.117 7.071 -1.138 1.00 0.00 H new