USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 761 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 3 LYS NZ :NH3+ 136:sc= 0.516 (180deg=0) USER MOD Set 1.2: A 5 ASN :FLIP amide:sc= -2.4! F(o=-3.4,f=-1.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= -0.241 (180deg=-1.62) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.175 X(o=0.18,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= 0.546 F(o=0,f=0.55) USER MOD Single : A 33 THR OG1 : rot -92:sc= 0.0394 USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= -0.519 (180deg=-1.78!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.361 F(o=-1,f=-0.36) USER MOD Single : A 47 HIS : no HD1:sc= -0.403 K(o=-0.4,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -150:sc= -0.686 USER MOD Single : A 60 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.3!) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.245) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.011) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -11.399 -2.466 8.028 1.00 0.00 N ATOM 21 CA LEU A 2 -12.220 -3.001 6.949 1.00 0.00 C ATOM 22 C LEU A 2 -11.557 -4.218 6.314 1.00 0.00 C ATOM 23 O LEU A 2 -10.374 -4.479 6.533 1.00 0.00 O ATOM 24 CB LEU A 2 -12.465 -1.927 5.885 1.00 0.00 C ATOM 25 CG LEU A 2 -12.821 -0.543 6.431 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.201 0.546 5.571 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.331 -0.373 6.503 1.00 0.00 C ATOM 0 HA LEU A 2 -13.176 -3.309 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.571 -1.838 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.271 -2.261 5.232 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.416 -0.455 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.465 1.523 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.117 0.435 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.576 0.462 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.568 0.617 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.757 -0.481 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.752 -1.133 7.162 1.00 0.00 H new ATOM 39 N LYS A 3 -12.326 -4.961 5.525 1.00 0.00 N ATOM 40 CA LYS A 3 -11.814 -6.151 4.856 1.00 0.00 C ATOM 41 C LYS A 3 -10.637 -5.801 3.950 1.00 0.00 C ATOM 42 O LYS A 3 -10.557 -4.691 3.426 1.00 0.00 O ATOM 43 CB LYS A 3 -12.921 -6.817 4.038 1.00 0.00 C ATOM 44 CG LYS A 3 -12.711 -8.308 3.827 1.00 0.00 C ATOM 45 CD LYS A 3 -12.052 -8.595 2.486 1.00 0.00 C ATOM 46 CE LYS A 3 -12.905 -8.103 1.328 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.551 -8.781 0.051 1.00 0.00 N ATOM 0 H LYS A 3 -13.307 -4.760 5.333 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.467 -6.847 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.876 -6.661 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.988 -6.327 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.091 -8.706 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.671 -8.822 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.075 -8.113 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.883 -9.667 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.957 -8.278 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.778 -7.026 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.421 -9.050 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.994 -8.134 -0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.991 -9.633 0.254 1.00 0.00 H new ATOM 61 N LEU A 4 -9.727 -6.752 3.772 1.00 0.00 N ATOM 62 CA LEU A 4 -8.556 -6.541 2.930 1.00 0.00 C ATOM 63 C LEU A 4 -8.571 -7.475 1.726 1.00 0.00 C ATOM 64 O LEU A 4 -9.016 -8.619 1.819 1.00 0.00 O ATOM 65 CB LEU A 4 -7.276 -6.756 3.739 1.00 0.00 C ATOM 66 CG LEU A 4 -5.975 -6.565 2.956 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.896 -5.971 3.849 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.512 -7.890 2.366 1.00 0.00 C ATOM 0 H LEU A 4 -9.778 -7.677 4.200 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.583 -5.513 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.278 -6.067 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.290 -7.765 4.151 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.163 -5.869 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.978 -5.843 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.227 -5.003 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.708 -6.641 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.586 -7.738 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.341 -8.606 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.278 -8.276 1.693 1.00 0.00 H new ATOM 80 N ASN A 5 -8.078 -6.980 0.595 1.00 0.00 N ATOM 81 CA ASN A 5 -8.031 -7.770 -0.631 1.00 0.00 C ATOM 82 C ASN A 5 -6.667 -7.648 -1.302 1.00 0.00 C ATOM 83 O ASN A 5 -5.740 -7.059 -0.746 1.00 0.00 O ATOM 84 CB ASN A 5 -9.132 -7.321 -1.593 1.00 0.00 C ATOM 85 CG ASN A 5 -9.876 -8.490 -2.207 1.00 0.00 C ATOM 86 OD1 ASN A 5 -11.188 -8.347 -2.352 1.00 0.00 O flip ATOM 87 ND2 ASN A 5 -9.278 -9.511 -2.547 1.00 0.00 N flip ATOM 0 H ASN A 5 -7.705 -6.035 0.502 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.194 -8.816 -0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.838 -6.684 -1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.693 -6.716 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.269 -9.578 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.792 -10.290 -2.959 1.00 0.00 H new ATOM 94 N LEU A 6 -6.552 -8.209 -2.502 1.00 0.00 N ATOM 95 CA LEU A 6 -5.300 -8.162 -3.249 1.00 0.00 C ATOM 96 C LEU A 6 -5.562 -8.018 -4.744 1.00 0.00 C ATOM 97 O LEU A 6 -6.490 -8.623 -5.284 1.00 0.00 O ATOM 98 CB LEU A 6 -4.476 -9.425 -2.983 1.00 0.00 C ATOM 99 CG LEU A 6 -3.821 -9.491 -1.603 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.675 -10.310 -0.646 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.421 -10.079 -1.704 1.00 0.00 C ATOM 0 H LEU A 6 -7.309 -8.700 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.738 -7.291 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.122 -10.294 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.697 -9.499 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.741 -8.477 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.193 -10.346 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.658 -9.848 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.786 -11.323 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.970 -10.118 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.478 -11.086 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.810 -9.454 -2.356 1.00 0.00 H new ATOM 113 N LYS A 7 -4.739 -7.213 -5.409 1.00 0.00 N ATOM 114 CA LYS A 7 -4.882 -6.989 -6.843 1.00 0.00 C ATOM 115 C LYS A 7 -3.712 -7.602 -7.607 1.00 0.00 C ATOM 116 O LYS A 7 -2.689 -7.952 -7.018 1.00 0.00 O ATOM 117 CB LYS A 7 -4.971 -5.490 -7.140 1.00 0.00 C ATOM 118 CG LYS A 7 -6.384 -4.938 -7.067 1.00 0.00 C ATOM 119 CD LYS A 7 -7.018 -4.841 -8.445 1.00 0.00 C ATOM 120 CE LYS A 7 -6.395 -3.724 -9.266 1.00 0.00 C ATOM 121 NZ LYS A 7 -7.245 -2.500 -9.277 1.00 0.00 N ATOM 0 H LYS A 7 -3.967 -6.705 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.802 -7.472 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.342 -4.950 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.567 -5.301 -8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.993 -5.579 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.367 -3.952 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.899 -5.789 -8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.089 -4.665 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.413 -3.480 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.241 -4.068 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.784 -1.763 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.174 -2.726 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.371 -2.156 -8.304 1.00 0.00 H new ATOM 135 N LYS A 8 -3.869 -7.727 -8.920 1.00 0.00 N ATOM 136 CA LYS A 8 -2.825 -8.296 -9.765 1.00 0.00 C ATOM 137 C LYS A 8 -1.551 -7.463 -9.686 1.00 0.00 C ATOM 138 O LYS A 8 -0.444 -7.989 -9.807 1.00 0.00 O ATOM 139 CB LYS A 8 -3.303 -8.382 -11.214 1.00 0.00 C ATOM 140 CG LYS A 8 -3.946 -9.716 -11.565 1.00 0.00 C ATOM 141 CD LYS A 8 -3.067 -10.532 -12.500 1.00 0.00 C ATOM 142 CE LYS A 8 -3.343 -10.196 -13.957 1.00 0.00 C ATOM 143 NZ LYS A 8 -4.259 -11.183 -14.591 1.00 0.00 N ATOM 0 H LYS A 8 -4.709 -7.442 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.605 -9.300 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.020 -7.582 -11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.456 -8.210 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.132 -10.282 -10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.914 -9.542 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.018 -10.342 -12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.242 -11.595 -12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.781 -9.200 -14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.403 -10.168 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.422 -10.918 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.830 -12.130 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.166 -11.192 -14.082 1.00 0.00 H new ATOM 157 N SER A 9 -1.713 -6.160 -9.480 1.00 0.00 N ATOM 158 CA SER A 9 -0.574 -5.254 -9.383 1.00 0.00 C ATOM 159 C SER A 9 0.137 -5.414 -8.044 1.00 0.00 C ATOM 160 O SER A 9 1.361 -5.530 -7.989 1.00 0.00 O ATOM 161 CB SER A 9 -1.033 -3.805 -9.561 1.00 0.00 C ATOM 162 OG SER A 9 0.062 -2.956 -9.856 1.00 0.00 O ATOM 0 H SER A 9 -2.622 -5.708 -9.377 1.00 0.00 H new ATOM 0 HA SER A 9 0.128 -5.506 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.767 -3.749 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.528 -3.463 -8.652 1.00 0.00 H new ATOM 0 HG SER A 9 -0.258 -2.036 -9.967 1.00 0.00 H new ATOM 168 N PHE A 10 -0.640 -5.421 -6.965 1.00 0.00 N ATOM 169 CA PHE A 10 -0.087 -5.567 -5.625 1.00 0.00 C ATOM 170 C PHE A 10 0.675 -6.882 -5.490 1.00 0.00 C ATOM 171 O PHE A 10 1.714 -6.945 -4.833 1.00 0.00 O ATOM 172 CB PHE A 10 -1.202 -5.501 -4.579 1.00 0.00 C ATOM 173 CG PHE A 10 -0.698 -5.394 -3.168 1.00 0.00 C ATOM 174 CD1 PHE A 10 0.110 -4.336 -2.785 1.00 0.00 C ATOM 175 CD2 PHE A 10 -1.032 -6.352 -2.225 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.576 -4.236 -1.488 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.570 -6.258 -0.926 1.00 0.00 C ATOM 178 CZ PHE A 10 0.235 -5.198 -0.557 1.00 0.00 C ATOM 0 H PHE A 10 -1.655 -5.327 -6.994 1.00 0.00 H new ATOM 0 HA PHE A 10 0.609 -4.745 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.840 -4.644 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.824 -6.392 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.379 -3.581 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.661 -7.183 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.206 -3.407 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.838 -7.012 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.597 -5.121 0.458 1.00 0.00 H new ATOM 188 N GLN A 11 0.148 -7.932 -6.114 1.00 0.00 N ATOM 189 CA GLN A 11 0.778 -9.246 -6.063 1.00 0.00 C ATOM 190 C GLN A 11 2.179 -9.202 -6.663 1.00 0.00 C ATOM 191 O GLN A 11 3.084 -9.896 -6.201 1.00 0.00 O ATOM 192 CB GLN A 11 -0.077 -10.273 -6.809 1.00 0.00 C ATOM 193 CG GLN A 11 -1.373 -10.619 -6.094 1.00 0.00 C ATOM 194 CD GLN A 11 -2.286 -11.492 -6.933 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.960 -12.639 -7.236 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.437 -10.950 -7.313 1.00 0.00 N ATOM 0 H GLN A 11 -0.713 -7.898 -6.660 1.00 0.00 H new ATOM 0 HA GLN A 11 0.860 -9.542 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.311 -9.887 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.505 -11.184 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.143 -11.132 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.896 -9.699 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.666 -9.995 -7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.092 -11.489 -7.879 1.00 0.00 H new ATOM 205 N LYS A 12 2.351 -8.383 -7.693 1.00 0.00 N ATOM 206 CA LYS A 12 3.644 -8.250 -8.355 1.00 0.00 C ATOM 207 C LYS A 12 4.522 -7.217 -7.648 1.00 0.00 C ATOM 208 O LYS A 12 5.742 -7.209 -7.806 1.00 0.00 O ATOM 209 CB LYS A 12 3.452 -7.856 -9.821 1.00 0.00 C ATOM 210 CG LYS A 12 2.741 -8.916 -10.647 1.00 0.00 C ATOM 211 CD LYS A 12 3.161 -8.861 -12.106 1.00 0.00 C ATOM 212 CE LYS A 12 2.485 -7.712 -12.838 1.00 0.00 C ATOM 213 NZ LYS A 12 3.124 -6.403 -12.530 1.00 0.00 N ATOM 0 H LYS A 12 1.612 -7.801 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 12 4.146 -9.216 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.882 -6.928 -9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.427 -7.654 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.961 -9.903 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.663 -8.774 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.243 -8.748 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.909 -9.803 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.526 -7.892 -13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.431 -7.675 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.116 -5.804 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.597 -5.930 -11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.106 -6.559 -12.226 1.00 0.00 H new ATOM 227 N ASP A 13 3.893 -6.345 -6.871 1.00 0.00 N ATOM 228 CA ASP A 13 4.613 -5.309 -6.138 1.00 0.00 C ATOM 229 C ASP A 13 5.017 -5.793 -4.748 1.00 0.00 C ATOM 230 O ASP A 13 5.801 -5.142 -4.057 1.00 0.00 O ATOM 231 CB ASP A 13 3.752 -4.050 -6.020 1.00 0.00 C ATOM 232 CG ASP A 13 3.478 -3.408 -7.367 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.634 -4.097 -8.396 1.00 0.00 O ATOM 234 OD2 ASP A 13 3.105 -2.216 -7.391 1.00 0.00 O ATOM 0 H ASP A 13 2.883 -6.334 -6.731 1.00 0.00 H new ATOM 0 HA ASP A 13 5.520 -5.075 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.806 -4.304 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.253 -3.330 -5.373 1.00 0.00 H new ATOM 239 N PHE A 14 4.471 -6.932 -4.337 1.00 0.00 N ATOM 240 CA PHE A 14 4.770 -7.494 -3.027 1.00 0.00 C ATOM 241 C PHE A 14 5.964 -8.442 -3.092 1.00 0.00 C ATOM 242 O PHE A 14 7.011 -8.170 -2.518 1.00 0.00 O ATOM 243 CB PHE A 14 3.546 -8.227 -2.474 1.00 0.00 C ATOM 244 CG PHE A 14 3.796 -8.926 -1.167 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.191 -8.211 -0.048 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.638 -10.298 -1.059 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.423 -8.852 1.155 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.869 -10.946 0.140 1.00 0.00 C ATOM 249 CZ PHE A 14 4.262 -10.221 1.249 1.00 0.00 C ATOM 0 H PHE A 14 3.818 -7.484 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 14 5.026 -6.672 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.734 -7.511 -2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.210 -8.959 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.319 -7.141 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.330 -10.869 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.730 -8.283 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.743 -12.016 0.210 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.443 -10.724 2.188 1.00 0.00 H new ATOM 259 N ASP A 15 5.787 -9.564 -3.779 1.00 0.00 N ATOM 260 CA ASP A 15 6.841 -10.563 -3.902 1.00 0.00 C ATOM 261 C ASP A 15 7.715 -10.331 -5.132 1.00 0.00 C ATOM 262 O ASP A 15 8.906 -10.645 -5.120 1.00 0.00 O ATOM 263 CB ASP A 15 6.235 -11.966 -3.956 1.00 0.00 C ATOM 264 CG ASP A 15 5.913 -12.509 -2.577 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.860 -12.751 -1.798 1.00 0.00 O ATOM 266 OD2 ASP A 15 4.715 -12.694 -2.275 1.00 0.00 O ATOM 0 H ASP A 15 4.921 -9.805 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 15 7.477 -10.470 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.325 -11.943 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.930 -12.640 -4.456 1.00 0.00 H new ATOM 271 N LYS A 16 7.125 -9.798 -6.200 1.00 0.00 N ATOM 272 CA LYS A 16 7.878 -9.558 -7.429 1.00 0.00 C ATOM 273 C LYS A 16 8.750 -8.313 -7.309 1.00 0.00 C ATOM 274 O LYS A 16 9.789 -8.210 -7.962 1.00 0.00 O ATOM 275 CB LYS A 16 6.933 -9.432 -8.624 1.00 0.00 C ATOM 276 CG LYS A 16 7.030 -10.591 -9.602 1.00 0.00 C ATOM 277 CD LYS A 16 8.390 -10.635 -10.284 1.00 0.00 C ATOM 278 CE LYS A 16 9.094 -11.961 -10.044 1.00 0.00 C ATOM 279 NZ LYS A 16 8.606 -13.024 -10.963 1.00 0.00 N ATOM 0 H LYS A 16 6.142 -9.527 -6.240 1.00 0.00 H new ATOM 0 HA LYS A 16 8.533 -10.414 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.908 -9.360 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.150 -8.503 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.856 -11.529 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.247 -10.499 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.266 -10.477 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.011 -9.820 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.168 -11.831 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.937 -12.274 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.111 -13.912 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.586 -13.167 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.779 -12.738 -11.948 1.00 0.00 H new ATOM 293 N LEU A 17 8.334 -7.373 -6.469 1.00 0.00 N ATOM 294 CA LEU A 17 9.097 -6.149 -6.269 1.00 0.00 C ATOM 295 C LEU A 17 10.343 -6.442 -5.450 1.00 0.00 C ATOM 296 O LEU A 17 11.390 -5.824 -5.647 1.00 0.00 O ATOM 297 CB LEU A 17 8.248 -5.090 -5.563 1.00 0.00 C ATOM 298 CG LEU A 17 8.479 -3.653 -6.032 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.434 -2.724 -5.432 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.879 -3.189 -5.663 1.00 0.00 C ATOM 0 H LEU A 17 7.477 -7.435 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 17 9.390 -5.763 -7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.196 -5.337 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.446 -5.142 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 17 8.384 -3.625 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.613 -1.705 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.440 -3.044 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.500 -2.757 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.025 -2.164 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.003 -3.232 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.614 -3.838 -6.138 1.00 0.00 H new ATOM 312 N LEU A 18 10.222 -7.396 -4.530 1.00 0.00 N ATOM 313 CA LEU A 18 11.341 -7.778 -3.673 1.00 0.00 C ATOM 314 C LEU A 18 12.563 -8.162 -4.503 1.00 0.00 C ATOM 315 O LEU A 18 13.688 -7.788 -4.180 1.00 0.00 O ATOM 316 CB LEU A 18 10.947 -8.949 -2.765 1.00 0.00 C ATOM 317 CG LEU A 18 10.116 -8.592 -1.524 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.369 -7.277 -1.712 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.146 -9.719 -1.195 1.00 0.00 C ATOM 0 H LEU A 18 9.362 -7.918 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 18 11.596 -6.916 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.384 -9.669 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.858 -9.449 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 18 10.802 -8.464 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.791 -7.055 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.085 -6.474 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.696 -7.360 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.564 -9.452 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.474 -9.879 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.705 -10.634 -0.998 1.00 0.00 H new ATOM 331 N LEU A 19 12.332 -8.916 -5.574 1.00 0.00 N ATOM 332 CA LEU A 19 13.413 -9.356 -6.449 1.00 0.00 C ATOM 333 C LEU A 19 13.785 -8.277 -7.469 1.00 0.00 C ATOM 334 O LEU A 19 14.721 -8.451 -8.249 1.00 0.00 O ATOM 335 CB LEU A 19 13.015 -10.641 -7.177 1.00 0.00 C ATOM 336 CG LEU A 19 12.792 -11.853 -6.272 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.172 -12.998 -7.058 1.00 0.00 C ATOM 338 CD2 LEU A 19 14.103 -12.289 -5.635 1.00 0.00 C ATOM 0 H LEU A 19 11.405 -9.235 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 19 14.286 -9.548 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 12.101 -10.454 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.791 -10.886 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 19 12.102 -11.569 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.020 -13.852 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.213 -12.681 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.838 -13.283 -7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.927 -13.153 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.816 -12.556 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.507 -11.471 -5.039 1.00 0.00 H new ATOM 350 N ASN A 20 13.054 -7.166 -7.458 1.00 0.00 N ATOM 351 CA ASN A 20 13.319 -6.072 -8.386 1.00 0.00 C ATOM 352 C ASN A 20 14.179 -4.995 -7.730 1.00 0.00 C ATOM 353 O ASN A 20 13.985 -3.802 -7.965 1.00 0.00 O ATOM 354 CB ASN A 20 12.005 -5.461 -8.877 1.00 0.00 C ATOM 355 CG ASN A 20 12.070 -5.042 -10.332 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.210 -5.405 -11.135 1.00 0.00 O ATOM 357 ND2 ASN A 20 13.094 -4.271 -10.679 1.00 0.00 N ATOM 0 H ASN A 20 12.276 -7.000 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 20 13.864 -6.478 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.200 -6.184 -8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.759 -4.595 -8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.191 -3.956 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.784 -3.994 -9.980 1.00 0.00 H new ATOM 364 N GLY A 21 15.129 -5.424 -6.905 1.00 0.00 N ATOM 365 CA GLY A 21 16.003 -4.484 -6.228 1.00 0.00 C ATOM 366 C GLY A 21 15.374 -3.912 -4.972 1.00 0.00 C ATOM 367 O GLY A 21 15.718 -2.811 -4.543 1.00 0.00 O ATOM 0 H GLY A 21 15.309 -6.405 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.937 -4.982 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.254 -3.670 -6.908 1.00 0.00 H new ATOM 371 N PHE A 22 14.448 -4.662 -4.384 1.00 0.00 N ATOM 372 CA PHE A 22 13.766 -4.229 -3.171 1.00 0.00 C ATOM 373 C PHE A 22 14.081 -5.165 -2.010 1.00 0.00 C ATOM 374 O PHE A 22 14.004 -6.386 -2.147 1.00 0.00 O ATOM 375 CB PHE A 22 12.255 -4.176 -3.410 1.00 0.00 C ATOM 376 CG PHE A 22 11.464 -3.721 -2.219 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.332 -4.535 -1.105 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.853 -2.477 -2.211 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.605 -4.117 -0.007 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.125 -2.053 -1.117 1.00 0.00 C ATOM 381 CZ PHE A 22 10.000 -2.875 -0.012 1.00 0.00 C ATOM 0 H PHE A 22 14.152 -5.575 -4.729 1.00 0.00 H new ATOM 0 HA PHE A 22 14.122 -3.231 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.053 -3.505 -4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.909 -5.167 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.803 -5.507 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.947 -1.831 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.510 -4.761 0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.654 -1.081 -1.124 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.431 -2.547 0.845 1.00 0.00 H new ATOM 391 N ASP A 23 14.436 -4.588 -0.867 1.00 0.00 N ATOM 392 CA ASP A 23 14.763 -5.372 0.318 1.00 0.00 C ATOM 393 C ASP A 23 13.509 -5.680 1.130 1.00 0.00 C ATOM 394 O ASP A 23 12.777 -4.773 1.527 1.00 0.00 O ATOM 395 CB ASP A 23 15.778 -4.627 1.186 1.00 0.00 C ATOM 396 CG ASP A 23 16.582 -5.564 2.067 1.00 0.00 C ATOM 397 OD1 ASP A 23 16.075 -6.660 2.387 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.718 -5.201 2.437 1.00 0.00 O ATOM 0 H ASP A 23 14.505 -3.579 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 23 15.201 -6.314 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.456 -4.064 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.256 -3.903 1.811 1.00 0.00 H new ATOM 403 N ASP A 24 13.267 -6.966 1.374 1.00 0.00 N ATOM 404 CA ASP A 24 12.101 -7.393 2.139 1.00 0.00 C ATOM 405 C ASP A 24 12.068 -6.722 3.509 1.00 0.00 C ATOM 406 O ASP A 24 10.999 -6.527 4.089 1.00 0.00 O ATOM 407 CB ASP A 24 12.107 -8.915 2.306 1.00 0.00 C ATOM 408 CG ASP A 24 13.386 -9.422 2.944 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.472 -9.157 2.388 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.299 -10.086 3.999 1.00 0.00 O ATOM 0 H ASP A 24 13.863 -7.729 1.053 1.00 0.00 H new ATOM 0 HA ASP A 24 11.209 -7.095 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.256 -9.214 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.979 -9.385 1.331 1.00 0.00 H new ATOM 415 N SER A 25 13.241 -6.367 4.021 1.00 0.00 N ATOM 416 CA SER A 25 13.342 -5.716 5.321 1.00 0.00 C ATOM 417 C SER A 25 12.517 -4.430 5.360 1.00 0.00 C ATOM 418 O SER A 25 12.131 -3.963 6.430 1.00 0.00 O ATOM 419 CB SER A 25 14.805 -5.404 5.645 1.00 0.00 C ATOM 420 OG SER A 25 15.554 -6.594 5.823 1.00 0.00 O ATOM 0 H SER A 25 14.136 -6.519 3.555 1.00 0.00 H new ATOM 0 HA SER A 25 12.945 -6.401 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.241 -4.813 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.859 -4.798 6.549 1.00 0.00 H new ATOM 0 HG SER A 25 16.485 -6.367 6.027 1.00 0.00 H new ATOM 426 N VAL A 26 12.253 -3.863 4.186 1.00 0.00 N ATOM 427 CA VAL A 26 11.476 -2.634 4.088 1.00 0.00 C ATOM 428 C VAL A 26 9.978 -2.922 4.108 1.00 0.00 C ATOM 429 O VAL A 26 9.217 -2.257 4.811 1.00 0.00 O ATOM 430 CB VAL A 26 11.819 -1.851 2.805 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.119 -0.501 2.798 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.325 -1.680 2.669 1.00 0.00 C ATOM 0 H VAL A 26 12.566 -4.236 3.290 1.00 0.00 H new ATOM 0 HA VAL A 26 11.737 -2.029 4.956 1.00 0.00 H new ATOM 0 HB VAL A 26 11.463 -2.422 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.374 0.036 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.040 -0.650 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.441 0.080 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.547 -1.125 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.708 -1.132 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.800 -2.660 2.622 1.00 0.00 H new ATOM 442 N LEU A 27 9.559 -3.916 3.330 1.00 0.00 N ATOM 443 CA LEU A 27 8.149 -4.285 3.259 1.00 0.00 C ATOM 444 C LEU A 27 7.620 -4.683 4.635 1.00 0.00 C ATOM 445 O LEU A 27 6.470 -4.407 4.974 1.00 0.00 O ATOM 446 CB LEU A 27 7.947 -5.429 2.255 1.00 0.00 C ATOM 447 CG LEU A 27 8.168 -6.840 2.806 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.855 -7.434 3.291 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.801 -7.733 1.746 1.00 0.00 C ATOM 0 H LEU A 27 10.174 -4.479 2.742 1.00 0.00 H new ATOM 0 HA LEU A 27 7.586 -3.417 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.933 -5.367 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.625 -5.276 1.416 1.00 0.00 H new ATOM 0 HG LEU A 27 8.850 -6.777 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.031 -8.437 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.441 -6.807 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.150 -7.485 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.951 -8.732 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.143 -7.791 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.762 -7.316 1.445 1.00 0.00 H new ATOM 461 N ASN A 28 8.470 -5.331 5.427 1.00 0.00 N ATOM 462 CA ASN A 28 8.086 -5.762 6.767 1.00 0.00 C ATOM 463 C ASN A 28 7.623 -4.575 7.608 1.00 0.00 C ATOM 464 O ASN A 28 6.826 -4.732 8.534 1.00 0.00 O ATOM 465 CB ASN A 28 9.260 -6.461 7.455 1.00 0.00 C ATOM 466 CG ASN A 28 8.804 -7.501 8.460 1.00 0.00 C ATOM 467 OD1 ASN A 28 9.477 -8.646 8.475 1.00 0.00 O flip ATOM 468 ND2 ASN A 28 7.856 -7.278 9.215 1.00 0.00 N flip ATOM 0 H ASN A 28 9.427 -5.568 5.165 1.00 0.00 H new ATOM 0 HA ASN A 28 7.257 -6.464 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.888 -6.938 6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.877 -5.718 7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.367 -6.384 9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.560 -7.987 9.886 1.00 0.00 H new ATOM 475 N GLU A 29 8.125 -3.389 7.278 1.00 0.00 N ATOM 476 CA GLU A 29 7.763 -2.177 8.002 1.00 0.00 C ATOM 477 C GLU A 29 6.347 -1.734 7.647 1.00 0.00 C ATOM 478 O GLU A 29 5.557 -1.386 8.524 1.00 0.00 O ATOM 479 CB GLU A 29 8.755 -1.056 7.688 1.00 0.00 C ATOM 480 CG GLU A 29 10.161 -1.327 8.197 1.00 0.00 C ATOM 481 CD GLU A 29 10.924 -0.053 8.506 1.00 0.00 C ATOM 482 OE1 GLU A 29 10.855 0.893 7.692 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.591 -0.001 9.560 1.00 0.00 O ATOM 0 H GLU A 29 8.784 -3.242 6.513 1.00 0.00 H new ATOM 0 HA GLU A 29 7.799 -2.396 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.791 -0.906 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.391 -0.127 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.106 -1.941 9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.709 -1.903 7.451 1.00 0.00 H new ATOM 490 N VAL A 30 6.034 -1.745 6.355 1.00 0.00 N ATOM 491 CA VAL A 30 4.713 -1.344 5.886 1.00 0.00 C ATOM 492 C VAL A 30 3.692 -2.459 6.088 1.00 0.00 C ATOM 493 O VAL A 30 2.604 -2.225 6.611 1.00 0.00 O ATOM 494 CB VAL A 30 4.737 -0.934 4.399 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.195 -2.091 3.523 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.369 -0.430 3.956 1.00 0.00 C ATOM 0 H VAL A 30 6.677 -2.027 5.615 1.00 0.00 H new ATOM 0 HA VAL A 30 4.419 -0.480 6.481 1.00 0.00 H new ATOM 0 HB VAL A 30 5.453 -0.121 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.203 -1.776 2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.199 -2.395 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.511 -2.931 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.409 -0.146 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.629 -1.219 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.089 0.436 4.555 1.00 0.00 H new ATOM 506 N ILE A 31 4.050 -3.675 5.679 1.00 0.00 N ATOM 507 CA ILE A 31 3.156 -4.821 5.828 1.00 0.00 C ATOM 508 C ILE A 31 2.628 -4.902 7.258 1.00 0.00 C ATOM 509 O ILE A 31 1.476 -5.269 7.487 1.00 0.00 O ATOM 510 CB ILE A 31 3.869 -6.144 5.453 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.687 -6.440 3.961 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.348 -7.310 6.290 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.086 -5.292 3.059 1.00 0.00 C ATOM 0 H ILE A 31 4.947 -3.891 5.245 1.00 0.00 H new ATOM 0 HA ILE A 31 2.319 -4.679 5.145 1.00 0.00 H new ATOM 0 HB ILE A 31 4.932 -6.025 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.278 -7.318 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.643 -6.691 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.868 -8.224 6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.525 -7.108 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.278 -7.432 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.929 -5.576 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.478 -4.418 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.138 -5.055 3.216 1.00 0.00 H new ATOM 525 N LEU A 32 3.480 -4.545 8.212 1.00 0.00 N ATOM 526 CA LEU A 32 3.107 -4.562 9.620 1.00 0.00 C ATOM 527 C LEU A 32 1.824 -3.773 9.839 1.00 0.00 C ATOM 528 O LEU A 32 0.807 -4.325 10.256 1.00 0.00 O ATOM 529 CB LEU A 32 4.246 -3.980 10.469 1.00 0.00 C ATOM 530 CG LEU A 32 3.859 -3.523 11.877 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.999 -3.772 12.851 1.00 0.00 C ATOM 532 CD2 LEU A 32 3.478 -2.051 11.864 1.00 0.00 C ATOM 0 H LEU A 32 4.437 -4.239 8.034 1.00 0.00 H new ATOM 0 HA LEU A 32 2.931 -5.593 9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.031 -4.731 10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.674 -3.131 9.936 1.00 0.00 H new ATOM 0 HG LEU A 32 2.997 -4.102 12.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.705 -3.441 13.847 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.230 -4.837 12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.880 -3.217 12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.204 -1.737 12.871 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.325 -1.459 11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.631 -1.900 11.195 1.00 0.00 H new ATOM 544 N THR A 33 1.880 -2.480 9.547 1.00 0.00 N ATOM 545 CA THR A 33 0.727 -1.607 9.708 1.00 0.00 C ATOM 546 C THR A 33 -0.511 -2.179 9.018 1.00 0.00 C ATOM 547 O THR A 33 -1.639 -1.877 9.404 1.00 0.00 O ATOM 548 CB THR A 33 1.043 -0.212 9.162 1.00 0.00 C ATOM 549 OG1 THR A 33 2.093 0.388 9.902 1.00 0.00 O ATOM 550 CG2 THR A 33 -0.139 0.733 9.194 1.00 0.00 C ATOM 0 H THR A 33 2.716 -2.012 9.196 1.00 0.00 H new ATOM 0 HA THR A 33 0.508 -1.534 10.773 1.00 0.00 H new ATOM 0 HB THR A 33 1.328 -0.370 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.715 0.917 10.636 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.159 1.702 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.949 0.323 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.479 0.856 10.222 1.00 0.00 H new ATOM 558 N LEU A 34 -0.296 -3.003 7.996 1.00 0.00 N ATOM 559 CA LEU A 34 -1.404 -3.607 7.264 1.00 0.00 C ATOM 560 C LEU A 34 -2.069 -4.706 8.090 1.00 0.00 C ATOM 561 O LEU A 34 -3.222 -4.577 8.497 1.00 0.00 O ATOM 562 CB LEU A 34 -0.917 -4.179 5.930 1.00 0.00 C ATOM 563 CG LEU A 34 -0.064 -3.230 5.085 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.165 -3.812 3.698 1.00 0.00 C ATOM 565 CD2 LEU A 34 -0.719 -1.858 4.985 1.00 0.00 C ATOM 0 H LEU A 34 0.630 -3.266 7.658 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.141 -2.828 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.339 -5.081 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.785 -4.480 5.344 1.00 0.00 H new ATOM 0 HG LEU A 34 0.902 -3.112 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.773 -3.124 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.681 -4.768 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.795 -3.961 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.095 -1.200 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.700 -1.956 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.831 -1.435 5.983 1.00 0.00 H new ATOM 577 N ARG A 35 -1.330 -5.786 8.331 1.00 0.00 N ATOM 578 CA ARG A 35 -1.848 -6.907 9.110 1.00 0.00 C ATOM 579 C ARG A 35 -2.229 -6.458 10.517 1.00 0.00 C ATOM 580 O ARG A 35 -3.342 -6.703 10.981 1.00 0.00 O ATOM 581 CB ARG A 35 -0.807 -8.026 9.184 1.00 0.00 C ATOM 582 CG ARG A 35 -0.113 -8.300 7.860 1.00 0.00 C ATOM 583 CD ARG A 35 0.225 -9.774 7.703 1.00 0.00 C ATOM 584 NE ARG A 35 0.121 -10.214 6.313 1.00 0.00 N ATOM 585 CZ ARG A 35 0.195 -11.487 5.931 1.00 0.00 C ATOM 586 NH1 ARG A 35 0.373 -12.447 6.830 1.00 0.00 N ATOM 587 NH2 ARG A 35 0.091 -11.800 4.646 1.00 0.00 N ATOM 0 H ARG A 35 -0.373 -5.908 7.999 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.742 -7.284 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.057 -7.764 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.292 -8.940 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.756 -7.984 7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.800 -7.708 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.237 -9.955 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.447 -10.368 8.323 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.016 -9.504 5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.454 -12.211 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.429 -13.421 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.046 -11.065 3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.148 -12.775 4.352 1.00 0.00 H new ATOM 601 N LYS A 36 -1.292 -5.796 11.188 1.00 0.00 N ATOM 602 CA LYS A 36 -1.517 -5.303 12.543 1.00 0.00 C ATOM 603 C LYS A 36 -2.546 -4.176 12.562 1.00 0.00 C ATOM 604 O LYS A 36 -3.045 -3.800 13.621 1.00 0.00 O ATOM 605 CB LYS A 36 -0.203 -4.810 13.135 1.00 0.00 C ATOM 606 CG LYS A 36 0.202 -3.424 12.660 1.00 0.00 C ATOM 607 CD LYS A 36 0.015 -2.382 13.750 1.00 0.00 C ATOM 608 CE LYS A 36 1.334 -1.713 14.107 1.00 0.00 C ATOM 609 NZ LYS A 36 1.370 -1.276 15.529 1.00 0.00 N ATOM 0 H LYS A 36 -0.366 -5.588 10.814 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.906 -6.126 13.142 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.285 -4.802 14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.587 -5.516 12.881 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.245 -3.438 12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.392 -3.150 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.699 -1.629 13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.408 -2.853 14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.154 -2.406 13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.491 -0.851 13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.773 -0.319 15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.404 -1.270 15.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.958 -1.934 16.079 1.00 0.00 H new ATOM 623 N LYS A 37 -2.831 -3.639 11.382 1.00 0.00 N ATOM 624 CA LYS A 37 -3.787 -2.544 11.219 1.00 0.00 C ATOM 625 C LYS A 37 -3.474 -1.381 12.157 1.00 0.00 C ATOM 626 O LYS A 37 -4.221 -1.104 13.094 1.00 0.00 O ATOM 627 CB LYS A 37 -5.225 -3.032 11.435 1.00 0.00 C ATOM 628 CG LYS A 37 -5.467 -3.674 12.791 1.00 0.00 C ATOM 629 CD LYS A 37 -6.949 -3.896 13.048 1.00 0.00 C ATOM 630 CE LYS A 37 -7.573 -2.715 13.773 1.00 0.00 C ATOM 631 NZ LYS A 37 -8.498 -3.152 14.853 1.00 0.00 N ATOM 0 H LYS A 37 -2.406 -3.949 10.508 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.694 -2.184 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.905 -2.188 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.474 -3.752 10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.941 -4.628 12.842 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.052 -3.039 13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.464 -4.055 12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.085 -4.801 13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.785 -2.094 14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.116 -2.096 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.902 -2.317 15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.264 -3.724 14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.975 -3.721 15.549 1.00 0.00 H new ATOM 645 N GLU A 38 -2.369 -0.697 11.888 1.00 0.00 N ATOM 646 CA GLU A 38 -1.959 0.445 12.696 1.00 0.00 C ATOM 647 C GLU A 38 -2.758 1.690 12.312 1.00 0.00 C ATOM 648 O GLU A 38 -2.957 1.964 11.129 1.00 0.00 O ATOM 649 CB GLU A 38 -0.462 0.715 12.516 1.00 0.00 C ATOM 650 CG GLU A 38 0.209 1.285 13.755 1.00 0.00 C ATOM 651 CD GLU A 38 1.668 1.626 13.523 1.00 0.00 C ATOM 652 OE1 GLU A 38 1.974 2.248 12.484 1.00 0.00 O ATOM 653 OE2 GLU A 38 2.504 1.274 14.380 1.00 0.00 O ATOM 0 H GLU A 38 -1.740 -0.914 11.115 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.155 0.210 13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.035 -0.215 12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.324 1.409 11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.324 2.181 14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.133 0.564 14.569 1.00 0.00 H new ATOM 660 N PRO A 39 -3.231 2.465 13.306 1.00 0.00 N ATOM 661 CA PRO A 39 -4.008 3.682 13.052 1.00 0.00 C ATOM 662 C PRO A 39 -3.233 4.693 12.216 1.00 0.00 C ATOM 663 O PRO A 39 -2.326 5.362 12.711 1.00 0.00 O ATOM 664 CB PRO A 39 -4.285 4.243 14.453 1.00 0.00 C ATOM 665 CG PRO A 39 -3.294 3.578 15.346 1.00 0.00 C ATOM 666 CD PRO A 39 -3.044 2.224 14.746 1.00 0.00 C ATOM 0 HA PRO A 39 -4.914 3.472 12.484 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.168 5.326 14.473 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.306 4.027 14.768 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.372 4.156 15.405 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.680 3.490 16.361 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.040 1.862 14.968 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.743 1.478 15.125 1.00 0.00 H new ATOM 674 N LEU A 40 -3.598 4.800 10.941 1.00 0.00 N ATOM 675 CA LEU A 40 -2.937 5.727 10.032 1.00 0.00 C ATOM 676 C LEU A 40 -3.225 7.173 10.421 1.00 0.00 C ATOM 677 O LEU A 40 -4.381 7.564 10.585 1.00 0.00 O ATOM 678 CB LEU A 40 -3.393 5.475 8.592 1.00 0.00 C ATOM 679 CG LEU A 40 -3.128 4.063 8.067 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.824 3.851 6.732 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.633 3.815 7.937 1.00 0.00 C ATOM 0 H LEU A 40 -4.348 4.255 10.516 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.862 5.559 10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.462 5.676 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.892 6.189 7.938 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.534 3.347 8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.624 2.841 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.898 3.986 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.449 4.574 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.463 2.806 7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.203 4.537 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.160 3.924 8.913 1.00 0.00 H new ATOM 693 N ASP A 41 -2.167 7.963 10.567 1.00 0.00 N ATOM 694 CA ASP A 41 -2.302 9.367 10.936 1.00 0.00 C ATOM 695 C ASP A 41 -2.651 10.218 9.717 1.00 0.00 C ATOM 696 O ASP A 41 -2.394 9.821 8.580 1.00 0.00 O ATOM 697 CB ASP A 41 -1.010 9.875 11.575 1.00 0.00 C ATOM 698 CG ASP A 41 -0.839 9.388 13.000 1.00 0.00 C ATOM 699 OD1 ASP A 41 -1.451 9.986 13.910 1.00 0.00 O ATOM 700 OD2 ASP A 41 -0.092 8.408 13.207 1.00 0.00 O ATOM 0 H ASP A 41 -1.204 7.654 10.435 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.113 9.451 11.660 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.159 9.547 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.007 10.965 11.564 1.00 0.00 H new ATOM 705 N PRO A 42 -3.242 11.404 9.938 1.00 0.00 N ATOM 706 CA PRO A 42 -3.623 12.311 8.848 1.00 0.00 C ATOM 707 C PRO A 42 -2.413 12.828 8.078 1.00 0.00 C ATOM 708 O PRO A 42 -2.514 13.166 6.898 1.00 0.00 O ATOM 709 CB PRO A 42 -4.333 13.464 9.568 1.00 0.00 C ATOM 710 CG PRO A 42 -3.833 13.408 10.971 1.00 0.00 C ATOM 711 CD PRO A 42 -3.582 11.956 11.261 1.00 0.00 C ATOM 0 HA PRO A 42 -4.244 11.813 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.100 14.422 9.104 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.416 13.346 9.530 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.920 13.992 11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.565 13.824 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.769 11.822 11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.461 11.472 11.686 1.00 0.00 H new ATOM 719 N GLN A 43 -1.269 12.886 8.752 1.00 0.00 N ATOM 720 CA GLN A 43 -0.038 13.362 8.129 1.00 0.00 C ATOM 721 C GLN A 43 0.370 12.463 6.965 1.00 0.00 C ATOM 722 O GLN A 43 1.086 12.892 6.060 1.00 0.00 O ATOM 723 CB GLN A 43 1.089 13.420 9.162 1.00 0.00 C ATOM 724 CG GLN A 43 0.940 14.557 10.160 1.00 0.00 C ATOM 725 CD GLN A 43 1.718 15.794 9.756 1.00 0.00 C ATOM 726 OE1 GLN A 43 2.948 15.798 9.760 1.00 0.00 O ATOM 727 NE2 GLN A 43 0.999 16.855 9.403 1.00 0.00 N ATOM 0 H GLN A 43 -1.168 12.610 9.729 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.221 14.364 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.124 12.475 9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.042 13.525 8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.115 14.812 10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.280 14.222 11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.020 16.807 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.466 17.717 9.121 1.00 0.00 H new ATOM 736 N PHE A 44 -0.089 11.215 6.993 1.00 0.00 N ATOM 737 CA PHE A 44 0.230 10.258 5.938 1.00 0.00 C ATOM 738 C PHE A 44 -0.322 10.719 4.589 1.00 0.00 C ATOM 739 O PHE A 44 0.113 10.249 3.538 1.00 0.00 O ATOM 740 CB PHE A 44 -0.328 8.878 6.286 1.00 0.00 C ATOM 741 CG PHE A 44 0.512 8.124 7.277 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.732 8.633 8.548 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.080 6.906 6.939 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.504 7.940 9.462 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.853 6.210 7.849 1.00 0.00 C ATOM 746 CZ PHE A 44 2.065 6.728 9.113 1.00 0.00 C ATOM 0 H PHE A 44 -0.683 10.843 7.734 1.00 0.00 H new ATOM 0 HA PHE A 44 1.315 10.195 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.335 8.993 6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.415 8.289 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.296 9.581 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.917 6.496 5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.668 8.347 10.449 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.291 5.262 7.573 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.668 6.186 9.826 1.00 0.00 H new ATOM 756 N GLN A 45 -1.283 11.642 4.625 1.00 0.00 N ATOM 757 CA GLN A 45 -1.891 12.165 3.406 1.00 0.00 C ATOM 758 C GLN A 45 -2.632 11.066 2.650 1.00 0.00 C ATOM 759 O GLN A 45 -2.561 10.986 1.424 1.00 0.00 O ATOM 760 CB GLN A 45 -0.825 12.794 2.506 1.00 0.00 C ATOM 761 CG GLN A 45 -0.089 13.955 3.152 1.00 0.00 C ATOM 762 CD GLN A 45 -1.008 15.110 3.494 1.00 0.00 C ATOM 763 OE1 GLN A 45 -1.760 14.969 4.579 1.00 0.00 O flip ATOM 764 NE2 GLN A 45 -1.041 16.122 2.791 1.00 0.00 N flip ATOM 0 H GLN A 45 -1.656 12.042 5.486 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.612 12.932 3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.102 12.028 2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.297 13.141 1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.405 13.607 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.693 14.305 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.446 16.189 1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.663 16.892 3.035 1.00 0.00 H new ATOM 773 N ASP A 46 -3.349 10.225 3.389 1.00 0.00 N ATOM 774 CA ASP A 46 -4.107 9.136 2.786 1.00 0.00 C ATOM 775 C ASP A 46 -5.397 9.657 2.159 1.00 0.00 C ATOM 776 O ASP A 46 -6.446 9.677 2.800 1.00 0.00 O ATOM 777 CB ASP A 46 -4.431 8.070 3.835 1.00 0.00 C ATOM 778 CG ASP A 46 -5.073 8.658 5.077 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.334 9.190 5.932 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.314 8.585 5.194 1.00 0.00 O ATOM 0 H ASP A 46 -3.420 10.277 4.405 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.495 8.690 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.100 7.328 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.515 7.549 4.114 1.00 0.00 H new ATOM 785 N HIS A 47 -5.307 10.082 0.903 1.00 0.00 N ATOM 786 CA HIS A 47 -6.466 10.608 0.192 1.00 0.00 C ATOM 787 C HIS A 47 -6.552 10.026 -1.217 1.00 0.00 C ATOM 788 O HIS A 47 -5.737 9.191 -1.605 1.00 0.00 O ATOM 789 CB HIS A 47 -6.396 12.134 0.121 1.00 0.00 C ATOM 790 CG HIS A 47 -5.078 12.649 -0.368 1.00 0.00 C ATOM 791 ND1 HIS A 47 -4.518 12.269 -1.571 1.00 0.00 N ATOM 792 CD2 HIS A 47 -4.206 13.521 0.191 1.00 0.00 C ATOM 793 CE1 HIS A 47 -3.359 12.883 -1.729 1.00 0.00 C ATOM 794 NE2 HIS A 47 -3.148 13.649 -0.675 1.00 0.00 N ATOM 0 H HIS A 47 -4.445 10.072 0.358 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.361 10.316 0.741 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.186 12.496 -0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.593 12.545 1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.321 14.022 1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.697 12.776 -2.576 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.330 14.241 -0.527 1.00 0.00 H new ATOM 803 N ALA A 48 -7.548 10.475 -1.975 1.00 0.00 N ATOM 804 CA ALA A 48 -7.743 10.000 -3.339 1.00 0.00 C ATOM 805 C ALA A 48 -6.988 10.869 -4.339 1.00 0.00 C ATOM 806 O ALA A 48 -7.178 12.084 -4.387 1.00 0.00 O ATOM 807 CB ALA A 48 -9.225 9.968 -3.679 1.00 0.00 C ATOM 0 H ALA A 48 -8.232 11.167 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.343 8.988 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.356 9.611 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.742 9.298 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.641 10.972 -3.589 1.00 0.00 H new ATOM 813 N LEU A 49 -6.132 10.237 -5.136 1.00 0.00 N ATOM 814 CA LEU A 49 -5.350 10.952 -6.137 1.00 0.00 C ATOM 815 C LEU A 49 -6.249 11.480 -7.251 1.00 0.00 C ATOM 816 O LEU A 49 -7.469 11.324 -7.203 1.00 0.00 O ATOM 817 CB LEU A 49 -4.273 10.036 -6.723 1.00 0.00 C ATOM 818 CG LEU A 49 -2.962 9.994 -5.936 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.069 8.873 -6.448 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.243 11.332 -6.027 1.00 0.00 C ATOM 0 H LEU A 49 -5.963 9.232 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.868 11.800 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.673 9.024 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.058 10.359 -7.742 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.194 9.798 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.141 8.858 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.582 7.918 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.844 9.039 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.312 11.284 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.022 11.556 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.879 12.115 -5.614 1.00 0.00 H new ATOM 832 N LYS A 50 -5.639 12.105 -8.252 1.00 0.00 N ATOM 833 CA LYS A 50 -6.387 12.653 -9.378 1.00 0.00 C ATOM 834 C LYS A 50 -5.857 12.108 -10.701 1.00 0.00 C ATOM 835 O LYS A 50 -4.708 11.675 -10.789 1.00 0.00 O ATOM 836 CB LYS A 50 -6.307 14.182 -9.376 1.00 0.00 C ATOM 837 CG LYS A 50 -6.707 14.809 -8.049 1.00 0.00 C ATOM 838 CD LYS A 50 -7.953 15.670 -8.190 1.00 0.00 C ATOM 839 CE LYS A 50 -8.858 15.545 -6.974 1.00 0.00 C ATOM 840 NZ LYS A 50 -8.225 16.109 -5.751 1.00 0.00 N ATOM 0 H LYS A 50 -4.630 12.245 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.428 12.350 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.289 14.485 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.953 14.573 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.888 14.024 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.885 15.417 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.663 16.712 -8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.501 15.375 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.799 16.061 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.099 14.495 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.874 16.004 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.340 15.600 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.018 17.117 -5.901 1.00 0.00 H new ATOM 854 N GLY A 51 -6.701 12.134 -11.725 1.00 0.00 N ATOM 855 CA GLY A 51 -6.301 11.642 -13.030 1.00 0.00 C ATOM 856 C GLY A 51 -6.343 10.128 -13.119 1.00 0.00 C ATOM 857 O GLY A 51 -7.407 9.522 -12.992 1.00 0.00 O ATOM 0 H GLY A 51 -7.657 12.487 -11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.957 12.066 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.291 11.988 -13.251 1.00 0.00 H new ATOM 861 N LYS A 52 -5.183 9.518 -13.337 1.00 0.00 N ATOM 862 CA LYS A 52 -5.092 8.066 -13.443 1.00 0.00 C ATOM 863 C LYS A 52 -5.544 7.392 -12.152 1.00 0.00 C ATOM 864 O LYS A 52 -6.062 6.275 -12.173 1.00 0.00 O ATOM 865 CB LYS A 52 -3.657 7.649 -13.775 1.00 0.00 C ATOM 866 CG LYS A 52 -3.553 6.270 -14.406 1.00 0.00 C ATOM 867 CD LYS A 52 -3.637 6.344 -15.921 1.00 0.00 C ATOM 868 CE LYS A 52 -2.271 6.582 -16.545 1.00 0.00 C ATOM 869 NZ LYS A 52 -2.197 6.062 -17.937 1.00 0.00 N ATOM 0 H LYS A 52 -4.293 10.006 -13.444 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.754 7.744 -14.247 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.222 8.383 -14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.062 7.667 -12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.611 5.806 -14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.353 5.634 -14.027 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.058 5.416 -16.309 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.315 7.147 -16.210 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.053 7.650 -16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.505 6.100 -15.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.250 6.244 -18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.379 5.038 -17.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.910 6.540 -18.524 1.00 0.00 H new ATOM 883 N TRP A 53 -5.342 8.076 -11.029 1.00 0.00 N ATOM 884 CA TRP A 53 -5.728 7.541 -9.729 1.00 0.00 C ATOM 885 C TRP A 53 -6.843 8.377 -9.104 1.00 0.00 C ATOM 886 O TRP A 53 -6.772 8.751 -7.934 1.00 0.00 O ATOM 887 CB TRP A 53 -4.518 7.498 -8.793 1.00 0.00 C ATOM 888 CG TRP A 53 -3.457 6.543 -9.240 1.00 0.00 C ATOM 889 CD1 TRP A 53 -3.568 5.186 -9.348 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.119 6.869 -9.636 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.382 4.649 -9.790 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.477 5.662 -9.973 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.402 8.065 -9.740 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.155 5.619 -10.406 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.090 8.021 -10.169 1.00 0.00 C ATOM 896 CH2 TRP A 53 0.522 6.804 -10.498 1.00 0.00 C ATOM 0 H TRP A 53 -4.914 9.001 -10.994 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.100 6.527 -9.877 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.089 8.497 -8.719 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.851 7.219 -7.793 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.458 4.618 -9.120 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.205 3.658 -9.955 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.866 9.007 -9.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.320 4.683 -10.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.473 8.939 -10.252 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.549 6.802 -10.831 1.00 0.00 H new ATOM 907 N LYS A 54 -7.871 8.665 -9.894 1.00 0.00 N ATOM 908 CA LYS A 54 -9.001 9.456 -9.422 1.00 0.00 C ATOM 909 C LYS A 54 -9.966 8.606 -8.597 1.00 0.00 C ATOM 910 O LYS A 54 -10.337 8.981 -7.485 1.00 0.00 O ATOM 911 CB LYS A 54 -9.738 10.092 -10.602 1.00 0.00 C ATOM 912 CG LYS A 54 -10.137 11.539 -10.363 1.00 0.00 C ATOM 913 CD LYS A 54 -10.845 12.129 -11.572 1.00 0.00 C ATOM 914 CE LYS A 54 -11.285 13.562 -11.320 1.00 0.00 C ATOM 915 NZ LYS A 54 -10.819 14.483 -12.394 1.00 0.00 N ATOM 0 H LYS A 54 -7.945 8.362 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.610 10.246 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.103 10.041 -11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.633 9.508 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.791 11.598 -9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.249 12.129 -10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.179 12.099 -12.435 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.714 11.519 -11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.372 13.602 -11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.895 13.898 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.139 15.450 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.780 14.465 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.212 14.178 -13.307 1.00 0.00 H new ATOM 929 N PRO A 55 -10.390 7.448 -9.132 1.00 0.00 N ATOM 930 CA PRO A 55 -11.316 6.552 -8.437 1.00 0.00 C ATOM 931 C PRO A 55 -10.617 5.643 -7.428 1.00 0.00 C ATOM 932 O PRO A 55 -11.217 4.697 -6.916 1.00 0.00 O ATOM 933 CB PRO A 55 -11.905 5.730 -9.578 1.00 0.00 C ATOM 934 CG PRO A 55 -10.807 5.643 -10.582 1.00 0.00 C ATOM 935 CD PRO A 55 -10.006 6.917 -10.455 1.00 0.00 C ATOM 0 HA PRO A 55 -12.053 7.099 -7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.211 4.741 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.789 6.210 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.180 4.771 -10.396 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.210 5.537 -11.589 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.935 6.723 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.245 7.620 -11.253 1.00 0.00 H new ATOM 943 N PHE A 56 -9.348 5.927 -7.143 1.00 0.00 N ATOM 944 CA PHE A 56 -8.582 5.127 -6.193 1.00 0.00 C ATOM 945 C PHE A 56 -8.131 5.972 -5.007 1.00 0.00 C ATOM 946 O PHE A 56 -8.335 7.186 -4.985 1.00 0.00 O ATOM 947 CB PHE A 56 -7.365 4.505 -6.884 1.00 0.00 C ATOM 948 CG PHE A 56 -7.724 3.577 -8.009 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.134 2.280 -7.752 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.652 4.004 -9.326 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.466 1.423 -8.785 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.981 3.154 -10.364 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.389 1.861 -10.094 1.00 0.00 C ATOM 0 H PHE A 56 -8.831 6.703 -7.556 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.228 4.331 -5.822 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.729 5.302 -7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.778 3.958 -6.146 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.195 1.933 -6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.335 5.013 -9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.785 0.414 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.920 3.499 -11.385 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.647 1.195 -10.904 1.00 0.00 H new ATOM 963 N ARG A 57 -7.519 5.323 -4.024 1.00 0.00 N ATOM 964 CA ARG A 57 -7.038 6.015 -2.832 1.00 0.00 C ATOM 965 C ARG A 57 -5.557 5.739 -2.602 1.00 0.00 C ATOM 966 O ARG A 57 -5.131 4.585 -2.556 1.00 0.00 O ATOM 967 CB ARG A 57 -7.847 5.587 -1.606 1.00 0.00 C ATOM 968 CG ARG A 57 -7.522 6.385 -0.354 1.00 0.00 C ATOM 969 CD ARG A 57 -8.471 7.560 -0.183 1.00 0.00 C ATOM 970 NE ARG A 57 -9.728 7.161 0.447 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.661 8.021 0.849 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.484 9.326 0.686 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.774 7.574 1.412 1.00 0.00 N ATOM 0 H ARG A 57 -7.343 4.318 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.168 7.086 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.909 5.691 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.664 4.530 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.584 5.736 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.496 6.749 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.990 8.329 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.678 8.003 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.900 6.165 0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.630 9.674 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.202 9.981 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.915 6.572 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.490 8.232 1.720 1.00 0.00 H new ATOM 987 N GLU A 58 -4.778 6.805 -2.455 1.00 0.00 N ATOM 988 CA GLU A 58 -3.343 6.678 -2.226 1.00 0.00 C ATOM 989 C GLU A 58 -3.025 6.751 -0.735 1.00 0.00 C ATOM 990 O GLU A 58 -3.793 7.309 0.048 1.00 0.00 O ATOM 991 CB GLU A 58 -2.585 7.774 -2.976 1.00 0.00 C ATOM 992 CG GLU A 58 -1.274 7.301 -3.583 1.00 0.00 C ATOM 993 CD GLU A 58 -0.382 8.450 -4.012 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.528 9.556 -3.453 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.463 8.242 -4.909 1.00 0.00 O ATOM 0 H GLU A 58 -5.116 7.767 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.024 5.706 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.222 8.167 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.383 8.598 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.743 6.685 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.484 6.668 -4.445 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.887 6.183 -0.351 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.467 6.184 1.045 1.00 0.00 C ATOM 1004 C CYS A 59 0.032 5.933 1.159 1.00 0.00 C ATOM 1005 O CYS A 59 0.568 5.013 0.540 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.235 5.121 1.831 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.069 5.267 3.626 1.00 0.00 S ATOM 0 H CYS A 59 -1.240 5.717 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.687 7.165 1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.291 5.182 1.568 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.887 4.135 1.524 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.168 4.090 4.168 1.00 0.00 H new ATOM 1013 N HIS A 60 0.706 6.759 1.951 1.00 0.00 N ATOM 1014 CA HIS A 60 2.146 6.628 2.145 1.00 0.00 C ATOM 1015 C HIS A 60 2.466 6.167 3.564 1.00 0.00 C ATOM 1016 O HIS A 60 2.640 6.984 4.467 1.00 0.00 O ATOM 1017 CB HIS A 60 2.846 7.961 1.864 1.00 0.00 C ATOM 1018 CG HIS A 60 2.307 8.685 0.670 1.00 0.00 C ATOM 1019 ND1 HIS A 60 2.367 10.056 0.530 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.697 8.221 -0.448 1.00 0.00 C ATOM 1021 CE1 HIS A 60 1.816 10.403 -0.619 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.402 9.310 -1.230 1.00 0.00 N ATOM 0 H HIS A 60 0.279 7.527 2.469 1.00 0.00 H new ATOM 0 HA HIS A 60 2.512 5.877 1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.751 8.603 2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.910 7.778 1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.483 7.188 -0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.721 11.411 -0.995 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.937 9.279 -2.138 1.00 0.00 H new ATOM 1031 N ILE A 61 2.551 4.852 3.751 1.00 0.00 N ATOM 1032 CA ILE A 61 2.859 4.288 5.062 1.00 0.00 C ATOM 1033 C ILE A 61 4.166 4.866 5.606 1.00 0.00 C ATOM 1034 O ILE A 61 4.385 4.903 6.817 1.00 0.00 O ATOM 1035 CB ILE A 61 2.962 2.746 5.000 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.586 2.137 4.721 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.534 2.185 6.297 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.226 2.093 3.253 1.00 0.00 C ATOM 0 H ILE A 61 2.412 4.160 3.015 1.00 0.00 H new ATOM 0 HA ILE A 61 2.042 4.556 5.732 1.00 0.00 H new ATOM 0 HB ILE A 61 3.639 2.481 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.559 1.124 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.829 2.712 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.596 1.099 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.530 2.596 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.885 2.459 7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.238 1.649 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.220 3.105 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.961 1.493 2.716 1.00 0.00 H new ATOM 1050 N LYS A 62 5.024 5.321 4.700 1.00 0.00 N ATOM 1051 CA LYS A 62 6.306 5.904 5.077 1.00 0.00 C ATOM 1052 C LYS A 62 6.795 6.861 3.992 1.00 0.00 C ATOM 1053 O LYS A 62 6.224 6.915 2.903 1.00 0.00 O ATOM 1054 CB LYS A 62 7.338 4.799 5.317 1.00 0.00 C ATOM 1055 CG LYS A 62 7.428 3.793 4.184 1.00 0.00 C ATOM 1056 CD LYS A 62 8.473 2.726 4.468 1.00 0.00 C ATOM 1057 CE LYS A 62 9.836 3.122 3.925 1.00 0.00 C ATOM 1058 NZ LYS A 62 10.944 2.627 4.788 1.00 0.00 N ATOM 0 H LYS A 62 4.854 5.297 3.695 1.00 0.00 H new ATOM 0 HA LYS A 62 6.175 6.467 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.317 5.254 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.087 4.274 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.456 3.322 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.676 4.309 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.543 2.561 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.162 1.782 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.955 2.723 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.894 4.208 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.847 2.721 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.978 3.187 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.781 1.627 5.022 1.00 0.00 H new ATOM 1072 N PRO A 63 7.855 7.640 4.273 1.00 0.00 N ATOM 1073 CA PRO A 63 8.406 8.605 3.314 1.00 0.00 C ATOM 1074 C PRO A 63 9.071 7.945 2.105 1.00 0.00 C ATOM 1075 O PRO A 63 9.637 8.631 1.252 1.00 0.00 O ATOM 1076 CB PRO A 63 9.447 9.387 4.132 1.00 0.00 C ATOM 1077 CG PRO A 63 9.176 9.041 5.558 1.00 0.00 C ATOM 1078 CD PRO A 63 8.588 7.660 5.545 1.00 0.00 C ATOM 0 HA PRO A 63 7.617 9.227 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.461 9.107 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.353 10.460 3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.093 9.069 6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.486 9.755 6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.359 6.890 5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.929 7.491 6.396 1.00 0.00 H new ATOM 1086 N ASP A 64 9.003 6.621 2.029 1.00 0.00 N ATOM 1087 CA ASP A 64 9.602 5.890 0.919 1.00 0.00 C ATOM 1088 C ASP A 64 8.686 4.765 0.439 1.00 0.00 C ATOM 1089 O ASP A 64 9.155 3.738 -0.047 1.00 0.00 O ATOM 1090 CB ASP A 64 10.958 5.315 1.334 1.00 0.00 C ATOM 1091 CG ASP A 64 11.780 4.861 0.143 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.767 5.561 -0.890 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.437 3.803 0.245 1.00 0.00 O ATOM 0 H ASP A 64 8.540 6.033 2.722 1.00 0.00 H new ATOM 0 HA ASP A 64 9.744 6.590 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.515 6.069 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.802 4.472 2.007 1.00 0.00 H new ATOM 1098 N VAL A 65 7.379 4.968 0.578 1.00 0.00 N ATOM 1099 CA VAL A 65 6.403 3.968 0.156 1.00 0.00 C ATOM 1100 C VAL A 65 5.054 4.609 -0.155 1.00 0.00 C ATOM 1101 O VAL A 65 4.713 5.660 0.388 1.00 0.00 O ATOM 1102 CB VAL A 65 6.207 2.879 1.233 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.171 1.856 0.786 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.528 2.196 1.552 1.00 0.00 C ATOM 0 H VAL A 65 6.972 5.813 0.978 1.00 0.00 H new ATOM 0 HA VAL A 65 6.799 3.506 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 65 5.841 3.361 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.050 1.099 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.217 2.355 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.503 1.381 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.368 1.432 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.925 1.731 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.239 2.934 1.923 1.00 0.00 H new ATOM 1114 N LEU A 66 4.288 3.961 -1.027 1.00 0.00 N ATOM 1115 CA LEU A 66 2.971 4.454 -1.412 1.00 0.00 C ATOM 1116 C LEU A 66 2.053 3.293 -1.779 1.00 0.00 C ATOM 1117 O LEU A 66 1.957 2.909 -2.946 1.00 0.00 O ATOM 1118 CB LEU A 66 3.072 5.430 -2.591 1.00 0.00 C ATOM 1119 CG LEU A 66 4.434 6.098 -2.781 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.611 6.544 -4.224 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.591 7.278 -1.836 1.00 0.00 C ATOM 0 H LEU A 66 4.559 3.089 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 66 2.550 4.985 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.820 4.894 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.321 6.209 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 66 5.209 5.368 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.586 7.017 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.546 5.678 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.828 7.257 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.567 7.739 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.809 8.011 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.510 6.932 -0.806 1.00 0.00 H new ATOM 1133 N LEU A 67 1.389 2.731 -0.776 1.00 0.00 N ATOM 1134 CA LEU A 67 0.484 1.608 -0.992 1.00 0.00 C ATOM 1135 C LEU A 67 -0.906 2.096 -1.387 1.00 0.00 C ATOM 1136 O LEU A 67 -1.639 2.648 -0.564 1.00 0.00 O ATOM 1137 CB LEU A 67 0.405 0.746 0.273 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.761 -0.248 0.326 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.921 -0.970 -1.005 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.557 -1.247 1.454 1.00 0.00 C ATOM 0 H LEU A 67 1.460 3.034 0.195 1.00 0.00 H new ATOM 0 HA LEU A 67 0.876 1.004 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.337 0.190 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.335 1.407 1.137 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.676 0.312 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.755 -1.669 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.117 -0.242 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.006 -1.516 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.394 -1.945 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.370 -1.797 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.501 -0.716 2.404 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.265 1.884 -2.648 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.569 2.295 -3.151 1.00 0.00 C ATOM 1154 C VAL A 68 -3.622 1.232 -2.850 1.00 0.00 C ATOM 1155 O VAL A 68 -3.386 0.040 -3.043 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.529 2.552 -4.670 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.893 2.993 -5.181 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.466 3.590 -5.006 1.00 0.00 C ATOM 0 H VAL A 68 -0.670 1.429 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.833 3.223 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.269 1.618 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.840 3.168 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.627 2.214 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.190 3.913 -4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.451 3.760 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.696 4.525 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.490 3.229 -4.682 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.783 1.672 -2.376 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.869 0.756 -2.051 1.00 0.00 C ATOM 1170 C TYR A 69 -7.221 1.366 -2.403 1.00 0.00 C ATOM 1171 O TYR A 69 -7.367 2.588 -2.456 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.829 0.389 -0.565 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.093 1.558 0.358 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.388 2.006 0.589 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -5.050 2.212 0.998 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.635 3.073 1.431 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.287 3.280 1.843 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.582 3.706 2.056 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.823 4.768 2.896 1.00 0.00 O ATOM 0 H TYR A 69 -4.995 2.656 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.736 -0.149 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.568 -0.389 -0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.852 -0.034 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.215 1.512 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.035 1.881 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.648 3.409 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.464 3.778 2.333 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.974 5.100 3.256 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.207 0.509 -2.646 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.547 0.964 -2.996 1.00 0.00 C ATOM 1191 C LEU A 70 -10.510 0.770 -1.828 1.00 0.00 C ATOM 1192 O LEU A 70 -10.374 -0.173 -1.048 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.058 0.213 -4.228 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.639 1.099 -5.331 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -11.058 0.257 -6.527 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.818 1.903 -4.803 1.00 0.00 C ATOM 0 H LEU A 70 -8.103 -0.505 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.495 2.028 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.237 -0.370 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.823 -0.496 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.866 1.796 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.469 0.904 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.191 -0.274 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.815 -0.464 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.219 2.528 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.593 1.223 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.487 2.535 -3.979 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.483 1.669 -1.713 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.466 1.598 -0.640 1.00 0.00 C ATOM 1210 C VAL A 71 -13.786 1.019 -1.140 1.00 0.00 C ATOM 1211 O VAL A 71 -14.448 1.607 -1.996 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.728 2.984 -0.021 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.631 2.868 1.196 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.416 3.664 0.345 1.00 0.00 C ATOM 0 H VAL A 71 -11.611 2.455 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.050 0.942 0.124 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.236 3.599 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.803 3.858 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.584 2.429 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.155 2.234 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.622 4.642 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.878 3.051 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.808 3.787 -0.551 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.164 -0.132 -0.598 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.407 -0.792 -0.985 1.00 0.00 C ATOM 1226 C LYS A 72 -16.550 -0.376 -0.065 1.00 0.00 C ATOM 1227 O LYS A 72 -16.320 0.152 1.024 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.233 -2.312 -0.956 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.731 -3.006 -2.215 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.977 -3.834 -1.943 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.643 -5.310 -1.789 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.867 -6.153 -1.710 1.00 0.00 N ATOM 0 H LYS A 72 -13.627 -0.630 0.112 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.654 -0.485 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.178 -2.546 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.766 -2.714 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.949 -2.261 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.945 -3.649 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.464 -3.474 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.687 -3.704 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.034 -5.634 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.045 -5.454 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.595 -7.151 -1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.437 -5.862 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.426 -6.036 -2.579 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.781 -0.615 -0.510 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.968 -0.263 0.267 1.00 0.00 C ATOM 1248 C ASP A 73 -18.813 -0.650 1.737 1.00 0.00 C ATOM 1249 O ASP A 73 -19.069 0.157 2.630 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.205 -0.947 -0.320 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.461 -0.115 -0.147 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.581 0.570 0.890 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.325 -0.150 -1.049 1.00 0.00 O ATOM 0 H ASP A 73 -17.984 -1.053 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.089 0.819 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.042 -1.138 -1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.344 -1.915 0.161 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.392 -1.885 1.979 1.00 0.00 N ATOM 1259 CA ASP A 74 -18.204 -2.373 3.340 1.00 0.00 C ATOM 1260 C ASP A 74 -16.936 -3.215 3.448 1.00 0.00 C ATOM 1261 O ASP A 74 -16.853 -4.129 4.268 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.417 -3.195 3.783 1.00 0.00 C ATOM 1263 CG ASP A 74 -20.400 -2.379 4.598 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.965 -1.409 4.049 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.605 -2.708 5.786 1.00 0.00 O ATOM 0 H ASP A 74 -18.174 -2.566 1.252 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.100 -1.509 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.922 -3.595 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -19.079 -4.047 4.373 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.950 -2.902 2.612 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.686 -3.630 2.612 1.00 0.00 C ATOM 1272 C GLU A 75 -13.589 -2.807 1.943 1.00 0.00 C ATOM 1273 O GLU A 75 -13.857 -1.763 1.353 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.845 -4.969 1.890 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.508 -6.043 2.737 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.969 -6.244 2.384 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.574 -5.316 1.809 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.506 -7.332 2.680 1.00 0.00 O ATOM 0 H GLU A 75 -16.003 -2.149 1.926 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.400 -3.815 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.434 -4.817 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.863 -5.321 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.974 -6.984 2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.426 -5.772 3.790 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.353 -3.287 2.038 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.219 -2.595 1.438 1.00 0.00 C ATOM 1287 C LEU A 76 -10.370 -3.559 0.616 1.00 0.00 C ATOM 1288 O LEU A 76 -10.276 -4.745 0.933 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.362 -1.937 2.520 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.472 -0.794 2.032 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -10.273 0.494 1.914 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -8.289 -0.603 2.969 1.00 0.00 C ATOM 0 H LEU A 76 -12.112 -4.151 2.524 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.607 -1.822 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.019 -1.557 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.731 -2.700 2.976 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.091 -1.053 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.623 1.296 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.087 0.352 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.684 0.758 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.666 0.215 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.652 -0.367 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.700 -1.520 3.004 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.755 -3.043 -0.442 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.916 -3.858 -1.310 1.00 0.00 C ATOM 1306 C ILE A 77 -7.609 -3.145 -1.648 1.00 0.00 C ATOM 1307 O ILE A 77 -7.600 -1.945 -1.924 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.649 -4.222 -2.619 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.848 -2.978 -3.490 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.990 -4.876 -2.310 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -8.764 -2.791 -4.530 1.00 0.00 C ATOM 0 H ILE A 77 -9.822 -2.064 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.691 -4.773 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.035 -4.932 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.814 -3.045 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.882 -2.097 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.496 -5.127 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.827 -5.784 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.608 -4.185 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.968 -1.891 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.798 -2.692 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.744 -3.655 -5.194 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.510 -3.889 -1.626 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.201 -3.326 -1.932 1.00 0.00 C ATOM 1325 C LEU A 78 -4.989 -3.246 -3.441 1.00 0.00 C ATOM 1326 O LEU A 78 -5.262 -4.201 -4.169 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.097 -4.167 -1.292 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.182 -4.300 0.230 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.153 -5.297 0.737 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.989 -2.946 0.895 1.00 0.00 C ATOM 0 H LEU A 78 -6.499 -4.883 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.159 -2.317 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.121 -5.165 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.133 -3.729 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.174 -4.671 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.229 -5.378 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.338 -6.272 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.153 -4.957 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.053 -3.060 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.010 -2.546 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.765 -2.260 0.556 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.504 -2.099 -3.905 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.260 -1.890 -5.327 1.00 0.00 C ATOM 1344 C LEU A 79 -2.850 -2.335 -5.711 1.00 0.00 C ATOM 1345 O LEU A 79 -2.674 -3.341 -6.398 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.464 -0.417 -5.691 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.496 -0.159 -6.789 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -6.904 -0.178 -6.213 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.219 1.167 -7.480 1.00 0.00 C ATOM 0 H LEU A 79 -4.272 -1.299 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.974 -2.495 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.766 0.124 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.508 -0.001 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.417 -0.955 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.625 0.007 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.101 -1.152 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.996 0.597 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.963 1.334 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.270 1.975 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.225 1.144 -7.927 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.852 -1.581 -5.263 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.461 -1.905 -5.567 1.00 0.00 C ATOM 1363 C ARG A 80 0.489 -1.269 -4.554 1.00 0.00 C ATOM 1364 O ARG A 80 0.059 -0.575 -3.634 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.107 -1.440 -6.982 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.058 0.074 -7.134 1.00 0.00 C ATOM 1367 CD ARG A 80 1.327 0.549 -7.547 1.00 0.00 C ATOM 1368 NE ARG A 80 1.502 0.531 -8.998 1.00 0.00 N ATOM 1369 CZ ARG A 80 0.901 1.380 -9.828 1.00 0.00 C ATOM 1370 NH1 ARG A 80 0.084 2.314 -9.356 1.00 0.00 N ATOM 1371 NH2 ARG A 80 1.115 1.294 -11.133 1.00 0.00 N ATOM 0 H ARG A 80 -1.978 -0.746 -4.691 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.347 -2.987 -5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.861 -1.856 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.840 -1.843 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.789 0.390 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.339 0.544 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.489 1.561 -7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.081 -0.086 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 80 2.121 -0.174 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.086 2.383 -8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.374 2.962 -9.997 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.740 0.577 -11.501 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.654 1.945 -11.769 1.00 0.00 H new ATOM 1385 N LEU A 81 1.783 -1.514 -4.736 1.00 0.00 N ATOM 1386 CA LEU A 81 2.801 -0.971 -3.844 1.00 0.00 C ATOM 1387 C LEU A 81 3.946 -0.356 -4.642 1.00 0.00 C ATOM 1388 O LEU A 81 4.509 -0.995 -5.530 1.00 0.00 O ATOM 1389 CB LEU A 81 3.337 -2.071 -2.923 1.00 0.00 C ATOM 1390 CG LEU A 81 4.215 -1.586 -1.765 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.571 -1.125 -2.277 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.523 -0.467 -1.001 1.00 0.00 C ATOM 0 H LEU A 81 2.152 -2.087 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 81 2.343 -0.190 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.491 -2.620 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.913 -2.776 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 81 4.373 -2.421 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.180 -0.784 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.072 -1.954 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.434 -0.306 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.162 -0.136 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.332 0.369 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.578 -0.832 -0.599 1.00 0.00 H new ATOM 1404 N GLY A 82 4.287 0.888 -4.320 1.00 0.00 N ATOM 1405 CA GLY A 82 5.365 1.563 -5.019 1.00 0.00 C ATOM 1406 C GLY A 82 5.814 2.829 -4.314 1.00 0.00 C ATOM 1407 O GLY A 82 5.154 3.302 -3.390 1.00 0.00 O ATOM 0 H GLY A 82 3.837 1.439 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.213 0.884 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.039 1.810 -6.029 1.00 0.00 H new ATOM 1411 N SER A 83 6.942 3.377 -4.755 1.00 0.00 N ATOM 1412 CA SER A 83 7.485 4.597 -4.168 1.00 0.00 C ATOM 1413 C SER A 83 7.357 5.766 -5.139 1.00 0.00 C ATOM 1414 O SER A 83 6.893 5.602 -6.267 1.00 0.00 O ATOM 1415 CB SER A 83 8.952 4.393 -3.786 1.00 0.00 C ATOM 1416 OG SER A 83 9.754 4.184 -4.936 1.00 0.00 O ATOM 0 H SER A 83 7.499 2.994 -5.519 1.00 0.00 H new ATOM 0 HA SER A 83 6.913 4.828 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.314 5.264 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.041 3.538 -3.116 1.00 0.00 H new ATOM 0 HG SER A 83 10.687 4.058 -4.665 1.00 0.00 H new ATOM 1422 N HIS A 84 7.773 6.947 -4.693 1.00 0.00 N ATOM 1423 CA HIS A 84 7.705 8.143 -5.524 1.00 0.00 C ATOM 1424 C HIS A 84 8.543 7.979 -6.788 1.00 0.00 C ATOM 1425 O HIS A 84 8.269 8.603 -7.812 1.00 0.00 O ATOM 1426 CB HIS A 84 8.181 9.365 -4.737 1.00 0.00 C ATOM 1427 CG HIS A 84 7.704 10.666 -5.306 1.00 0.00 C ATOM 1428 ND1 HIS A 84 8.532 11.547 -5.970 1.00 0.00 N ATOM 1429 CD2 HIS A 84 6.474 11.234 -5.307 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.832 12.599 -6.355 1.00 0.00 C ATOM 1431 NE2 HIS A 84 6.582 12.434 -5.965 1.00 0.00 N ATOM 0 H HIS A 84 8.160 7.101 -3.762 1.00 0.00 H new ATOM 0 HA HIS A 84 6.666 8.291 -5.817 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.836 9.280 -3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.271 9.367 -4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.576 10.820 -4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.217 13.450 -6.897 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.819 13.092 -6.126 1.00 0.00 H new ATOM 1440 N SER A 85 9.570 7.137 -6.709 1.00 0.00 N ATOM 1441 CA SER A 85 10.449 6.895 -7.848 1.00 0.00 C ATOM 1442 C SER A 85 9.791 5.961 -8.859 1.00 0.00 C ATOM 1443 O SER A 85 10.074 6.031 -10.056 1.00 0.00 O ATOM 1444 CB SER A 85 11.777 6.298 -7.375 1.00 0.00 C ATOM 1445 OG SER A 85 12.854 6.750 -8.176 1.00 0.00 O ATOM 0 H SER A 85 9.813 6.612 -5.869 1.00 0.00 H new ATOM 0 HA SER A 85 10.639 7.851 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.953 6.573 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.724 5.210 -7.412 1.00 0.00 H new ATOM 0 HG SER A 85 13.691 6.356 -7.852 1.00 0.00 H new ATOM 1451 N GLU A 86 8.915 5.087 -8.374 1.00 0.00 N ATOM 1452 CA GLU A 86 8.222 4.140 -9.239 1.00 0.00 C ATOM 1453 C GLU A 86 6.917 4.730 -9.761 1.00 0.00 C ATOM 1454 O GLU A 86 6.804 5.065 -10.940 1.00 0.00 O ATOM 1455 CB GLU A 86 7.941 2.839 -8.486 1.00 0.00 C ATOM 1456 CG GLU A 86 9.109 1.867 -8.495 1.00 0.00 C ATOM 1457 CD GLU A 86 9.517 1.460 -9.897 1.00 0.00 C ATOM 1458 OE1 GLU A 86 8.620 1.279 -10.747 1.00 0.00 O ATOM 1459 OE2 GLU A 86 10.733 1.323 -10.146 1.00 0.00 O ATOM 0 H GLU A 86 8.668 5.015 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 86 8.869 3.927 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.683 3.075 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.071 2.353 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.961 2.323 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.841 0.977 -7.926 1.00 0.00 H new ATOM 1466 N LEU A 87 5.932 4.853 -8.877 1.00 0.00 N ATOM 1467 CA LEU A 87 4.633 5.401 -9.251 1.00 0.00 C ATOM 1468 C LEU A 87 4.775 6.813 -9.812 1.00 0.00 C ATOM 1469 O LEU A 87 4.145 7.160 -10.810 1.00 0.00 O ATOM 1470 CB LEU A 87 3.695 5.413 -8.042 1.00 0.00 C ATOM 1471 CG LEU A 87 3.622 4.097 -7.263 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.591 4.193 -6.148 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.290 2.944 -8.200 1.00 0.00 C ATOM 0 H LEU A 87 6.009 4.581 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 87 4.209 4.764 -10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.014 6.203 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.692 5.672 -8.382 1.00 0.00 H new ATOM 0 HG LEU A 87 4.596 3.907 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.553 3.248 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.869 4.994 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.611 4.405 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.242 2.015 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.327 3.128 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.063 2.862 -8.964 1.00 0.00 H new ATOM 1485 N PHE A 88 5.608 7.621 -9.163 1.00 0.00 N ATOM 1486 CA PHE A 88 5.831 8.994 -9.600 1.00 0.00 C ATOM 1487 C PHE A 88 7.192 9.134 -10.277 1.00 0.00 C ATOM 1488 O PHE A 88 7.965 8.154 -10.255 1.00 0.00 O ATOM 1489 CB PHE A 88 5.739 9.951 -8.411 1.00 0.00 C ATOM 1490 CG PHE A 88 4.328 10.277 -8.011 1.00 0.00 C ATOM 1491 CD1 PHE A 88 3.540 11.095 -8.805 1.00 0.00 C ATOM 1492 CD2 PHE A 88 3.790 9.765 -6.842 1.00 0.00 C ATOM 1493 CE1 PHE A 88 2.242 11.397 -8.439 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.493 10.063 -6.471 1.00 0.00 C ATOM 1495 CZ PHE A 88 1.717 10.879 -7.271 1.00 0.00 C ATOM 1496 OXT PHE A 88 7.472 10.222 -10.822 1.00 0.00 O ATOM 0 H PHE A 88 6.138 7.349 -8.335 1.00 0.00 H new ATOM 0 HA PHE A 88 5.057 9.250 -10.323 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.257 9.510 -7.559 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.261 10.876 -8.658 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.945 11.501 -9.720 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.391 9.125 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.639 12.037 -9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.086 9.658 -5.556 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.702 11.111 -6.984 1.00 0.00 H new