USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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 92 ASN : amide:sc= -5.45! C(o=-6.8!,f=-18!) USER MOD Set 1.2: A 94 SER OG : rot 150:sc= -1.37 USER MOD Set 2.1: A 39 TYR OH : rot 83:sc= 0.952 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot 124:sc= -3.14! USER MOD Set 3.2: A 23 CYS SG : rot -117:sc= -2.43 USER MOD Single : A 3 ASN : amide:sc= -0.591 K(o=-0.59,f=-5.8!) USER MOD Single : A 5 HIS : no HE2:sc= -4.86! C(o=-4.9!,f=-5.3!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.00401 USER MOD Single : A 9 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 17 HIS : no HE2:sc= -6.49! C(o=-6.5!,f=-11!) USER MOD Single : A 20 HIS : no HE2:sc= -5.43 K(o=-5.4,f=-7.7!) USER MOD Single : A 25 ASN : amide:sc= -1.85 K(o=-1.8,f=-3.2!) USER MOD Single : A 33 SER OG : rot 127:sc= 0.166 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.32! C(o=-5.3!,f=-6.4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -160:sc= -0.0833 USER MOD Single : A 54 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.8) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.96! C(o=-2!,f=-2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.348 K(o=0.35,f=-0.88) USER MOD Single : A 82 MET CE :methyl -158:sc= 0 (180deg=-0.144) USER MOD Single : A 90 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.39) USER MOD Single : A 99 ASN : amide:sc= -2.37 K(o=-2.4,f=-5.2!) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.804 -8.701 -4.128 1.00 0.00 N ATOM 21 CA GLY A 2 -5.292 -7.354 -3.897 1.00 0.00 C ATOM 22 C GLY A 2 -5.849 -6.723 -5.149 1.00 0.00 C ATOM 23 O GLY A 2 -5.343 -5.711 -5.635 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.066 -7.377 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.480 -6.737 -3.512 1.00 0.00 H new ATOM 27 N ASN A 3 -6.913 -7.323 -5.652 1.00 0.00 N ATOM 28 CA ASN A 3 -7.594 -6.842 -6.842 1.00 0.00 C ATOM 29 C ASN A 3 -8.183 -5.454 -6.609 1.00 0.00 C ATOM 30 O ASN A 3 -8.585 -4.778 -7.555 1.00 0.00 O ATOM 31 CB ASN A 3 -8.691 -7.817 -7.264 1.00 0.00 C ATOM 32 CG ASN A 3 -9.663 -8.120 -6.142 1.00 0.00 C ATOM 33 OD1 ASN A 3 -9.538 -7.595 -5.036 1.00 0.00 O ATOM 34 ND2 ASN A 3 -10.638 -8.973 -6.426 1.00 0.00 N ATOM 0 H ASN A 3 -7.331 -8.160 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.860 -6.773 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.237 -7.400 -8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.235 -8.746 -7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.325 -9.219 -5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.701 -9.383 -7.358 1.00 0.00 H new ATOM 41 N PHE A 4 -8.268 -5.045 -5.341 1.00 0.00 N ATOM 42 CA PHE A 4 -8.849 -3.753 -4.992 1.00 0.00 C ATOM 43 C PHE A 4 -8.328 -2.642 -5.904 1.00 0.00 C ATOM 44 O PHE A 4 -9.048 -1.695 -6.214 1.00 0.00 O ATOM 45 CB PHE A 4 -8.543 -3.412 -3.527 1.00 0.00 C ATOM 46 CG PHE A 4 -7.297 -2.588 -3.339 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.049 -3.122 -3.614 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.378 -1.277 -2.895 1.00 0.00 C ATOM 49 CE1 PHE A 4 -4.904 -2.366 -3.450 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.236 -0.515 -2.728 1.00 0.00 C ATOM 51 CZ PHE A 4 -4.998 -1.061 -3.006 1.00 0.00 C ATOM 0 H PHE A 4 -7.942 -5.590 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.928 -3.826 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.391 -2.872 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.442 -4.339 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.970 -4.142 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.344 -0.846 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.937 -2.795 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.312 0.505 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.104 -0.468 -2.876 1.00 0.00 H new ATOM 61 N HIS A 5 -7.080 -2.769 -6.334 1.00 0.00 N ATOM 62 CA HIS A 5 -6.477 -1.778 -7.212 1.00 0.00 C ATOM 63 C HIS A 5 -7.188 -1.751 -8.563 1.00 0.00 C ATOM 64 O HIS A 5 -7.383 -0.689 -9.154 1.00 0.00 O ATOM 65 CB HIS A 5 -4.985 -2.079 -7.395 1.00 0.00 C ATOM 66 CG HIS A 5 -4.679 -2.993 -8.544 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.388 -2.533 -9.811 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.623 -4.344 -8.614 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.168 -3.561 -10.611 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.303 -4.671 -9.909 1.00 0.00 N ATOM 0 H HIS A 5 -6.467 -3.547 -6.089 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.583 -0.795 -6.754 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.451 -1.140 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.601 -2.525 -6.478 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.349 -1.552 -10.087 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.797 -5.035 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.920 -3.503 -11.661 1.00 0.00 H new ATOM 79 N GLU A 6 -7.567 -2.930 -9.044 1.00 0.00 N ATOM 80 CA GLU A 6 -8.252 -3.051 -10.325 1.00 0.00 C ATOM 81 C GLU A 6 -9.718 -2.638 -10.207 1.00 0.00 C ATOM 82 O GLU A 6 -10.338 -2.227 -11.188 1.00 0.00 O ATOM 83 CB GLU A 6 -8.139 -4.487 -10.851 1.00 0.00 C ATOM 84 CG GLU A 6 -9.049 -5.488 -10.146 1.00 0.00 C ATOM 85 CD GLU A 6 -9.912 -6.274 -11.114 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.346 -7.002 -11.956 1.00 0.00 O ATOM 87 OE2 GLU A 6 -11.153 -6.161 -11.030 1.00 0.00 O ATOM 0 H GLU A 6 -7.411 -3.817 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.771 -2.377 -11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.371 -4.491 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.106 -4.819 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.440 -6.180 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.690 -4.957 -9.442 1.00 0.00 H new ATOM 94 N SER A 7 -10.268 -2.751 -9.001 1.00 0.00 N ATOM 95 CA SER A 7 -11.660 -2.390 -8.760 1.00 0.00 C ATOM 96 C SER A 7 -11.767 -1.069 -8.002 1.00 0.00 C ATOM 97 O SER A 7 -12.817 -0.749 -7.445 1.00 0.00 O ATOM 98 CB SER A 7 -12.366 -3.497 -7.975 1.00 0.00 C ATOM 99 OG SER A 7 -11.462 -4.169 -7.115 1.00 0.00 O ATOM 0 H SER A 7 -9.771 -3.089 -8.177 1.00 0.00 H new ATOM 0 HA SER A 7 -12.145 -2.268 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.180 -3.069 -7.390 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.812 -4.210 -8.668 1.00 0.00 H new ATOM 0 HG SER A 7 -11.938 -4.871 -6.624 1.00 0.00 H new ATOM 105 N SER A 8 -10.680 -0.302 -7.983 1.00 0.00 N ATOM 106 CA SER A 8 -10.667 0.982 -7.293 1.00 0.00 C ATOM 107 C SER A 8 -10.038 2.063 -8.164 1.00 0.00 C ATOM 108 O SER A 8 -9.228 1.772 -9.044 1.00 0.00 O ATOM 109 CB SER A 8 -9.907 0.871 -5.971 1.00 0.00 C ATOM 110 OG SER A 8 -9.937 2.097 -5.260 1.00 0.00 O ATOM 0 H SER A 8 -9.800 -0.547 -8.436 1.00 0.00 H new ATOM 0 HA SER A 8 -11.700 1.262 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.347 0.082 -5.360 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.873 0.585 -6.165 1.00 0.00 H new ATOM 0 HG SER A 8 -10.311 1.948 -4.367 1.00 0.00 H new ATOM 116 N ASN A 9 -10.414 3.311 -7.910 1.00 0.00 N ATOM 117 CA ASN A 9 -9.884 4.437 -8.669 1.00 0.00 C ATOM 118 C ASN A 9 -9.222 5.448 -7.739 1.00 0.00 C ATOM 119 O ASN A 9 -9.513 5.489 -6.544 1.00 0.00 O ATOM 120 CB ASN A 9 -10.996 5.112 -9.474 1.00 0.00 C ATOM 121 CG ASN A 9 -12.086 5.685 -8.590 1.00 0.00 C ATOM 122 OD1 ASN A 9 -13.040 4.994 -8.233 1.00 0.00 O ATOM 123 ND2 ASN A 9 -11.951 6.957 -8.234 1.00 0.00 N ATOM 0 H ASN A 9 -11.083 3.568 -7.185 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.132 4.057 -9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.568 5.910 -10.081 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.433 4.388 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.654 7.398 -7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.144 7.493 -8.553 1.00 0.00 H new ATOM 130 N ASN A 10 -8.327 6.258 -8.293 1.00 0.00 N ATOM 131 CA ASN A 10 -7.622 7.264 -7.508 1.00 0.00 C ATOM 132 C ASN A 10 -6.803 6.606 -6.401 1.00 0.00 C ATOM 133 O ASN A 10 -6.975 6.911 -5.221 1.00 0.00 O ATOM 134 CB ASN A 10 -8.614 8.262 -6.906 1.00 0.00 C ATOM 135 CG ASN A 10 -9.120 9.262 -7.927 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.117 8.996 -9.129 1.00 0.00 O ATOM 137 ND2 ASN A 10 -9.558 10.422 -7.452 1.00 0.00 N ATOM 0 H ASN A 10 -8.073 6.238 -9.281 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.942 7.800 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.459 7.719 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.135 8.796 -6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.910 11.135 -8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.542 10.600 -6.448 1.00 0.00 H new ATOM 144 N ILE A 11 -5.912 5.701 -6.793 1.00 0.00 N ATOM 145 CA ILE A 11 -5.063 4.998 -5.836 1.00 0.00 C ATOM 146 C ILE A 11 -3.735 5.728 -5.657 1.00 0.00 C ATOM 147 O ILE A 11 -2.955 5.855 -6.601 1.00 0.00 O ATOM 148 CB ILE A 11 -4.783 3.542 -6.276 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.887 3.026 -7.206 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.652 2.636 -5.060 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.280 3.156 -6.628 1.00 0.00 C ATOM 0 H ILE A 11 -5.759 5.437 -7.766 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.603 4.977 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.842 3.531 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.842 3.573 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.695 1.978 -7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.455 1.615 -5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.829 2.982 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.578 2.661 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.008 2.771 -7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.344 2.586 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.493 4.205 -6.424 1.00 0.00 H new ATOM 163 N TRP A 12 -3.485 6.208 -4.443 1.00 0.00 N ATOM 164 CA TRP A 12 -2.251 6.928 -4.147 1.00 0.00 C ATOM 165 C TRP A 12 -1.933 6.875 -2.656 1.00 0.00 C ATOM 166 O TRP A 12 -2.606 6.185 -1.891 1.00 0.00 O ATOM 167 CB TRP A 12 -2.363 8.383 -4.606 1.00 0.00 C ATOM 168 CG TRP A 12 -3.446 9.146 -3.906 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.791 8.928 -3.998 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.278 10.249 -3.009 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.469 9.828 -3.212 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.563 10.650 -2.595 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.166 10.937 -2.514 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.764 11.707 -1.711 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.368 11.986 -1.637 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.658 12.362 -1.243 1.00 0.00 C ATOM 0 H TRP A 12 -4.119 6.112 -3.650 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.439 6.444 -4.690 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.409 8.884 -4.438 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.550 8.404 -5.680 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.254 8.160 -4.600 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.482 9.876 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.167 10.654 -2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.758 11.999 -1.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.516 12.525 -1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.782 13.186 -0.556 1.00 0.00 H new ATOM 187 N LEU A 13 -0.900 7.607 -2.249 1.00 0.00 N ATOM 188 CA LEU A 13 -0.491 7.641 -0.850 1.00 0.00 C ATOM 189 C LEU A 13 -0.269 9.075 -0.378 1.00 0.00 C ATOM 190 O LEU A 13 0.165 9.932 -1.148 1.00 0.00 O ATOM 191 CB LEU A 13 0.787 6.821 -0.655 1.00 0.00 C ATOM 192 CG LEU A 13 0.952 6.188 0.728 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.143 5.163 0.984 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.324 5.543 0.855 1.00 0.00 C ATOM 0 H LEU A 13 -0.331 8.184 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.291 7.205 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.809 6.029 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.645 7.465 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 13 0.867 6.974 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.007 4.725 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.117 5.650 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.091 4.378 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.426 5.097 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.434 4.769 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.096 6.300 0.717 1.00 0.00 H new ATOM 206 N GLU A 14 -0.572 9.327 0.891 1.00 0.00 N ATOM 207 CA GLU A 14 -0.408 10.657 1.469 1.00 0.00 C ATOM 208 C GLU A 14 0.629 10.636 2.588 1.00 0.00 C ATOM 209 O GLU A 14 0.500 9.886 3.555 1.00 0.00 O ATOM 210 CB GLU A 14 -1.748 11.173 2.003 1.00 0.00 C ATOM 211 CG GLU A 14 -1.638 12.476 2.778 1.00 0.00 C ATOM 212 CD GLU A 14 -2.970 12.935 3.340 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.599 12.156 4.087 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.383 14.073 3.033 1.00 0.00 O ATOM 0 H GLU A 14 -0.933 8.627 1.540 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.057 11.329 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.432 11.315 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.188 10.413 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.927 12.350 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.237 13.251 2.124 1.00 0.00 H new ATOM 221 N ASP A 15 1.659 11.464 2.445 1.00 0.00 N ATOM 222 CA ASP A 15 2.724 11.542 3.440 1.00 0.00 C ATOM 223 C ASP A 15 3.422 10.193 3.610 1.00 0.00 C ATOM 224 O ASP A 15 4.118 9.966 4.600 1.00 0.00 O ATOM 225 CB ASP A 15 2.162 12.018 4.782 1.00 0.00 C ATOM 226 CG ASP A 15 2.752 13.345 5.218 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.456 14.369 4.567 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.509 13.360 6.212 1.00 0.00 O ATOM 0 H ASP A 15 1.779 12.091 1.649 1.00 0.00 H new ATOM 0 HA ASP A 15 3.462 12.263 3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.079 12.113 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.364 11.266 5.545 1.00 0.00 H new ATOM 233 N GLY A 16 3.238 9.303 2.638 1.00 0.00 N ATOM 234 CA GLY A 16 3.862 7.996 2.700 1.00 0.00 C ATOM 235 C GLY A 16 3.423 7.184 3.902 1.00 0.00 C ATOM 236 O GLY A 16 4.256 6.712 4.676 1.00 0.00 O ATOM 0 H GLY A 16 2.667 9.466 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.626 7.444 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.945 8.118 2.727 1.00 0.00 H new ATOM 240 N HIS A 17 2.114 7.008 4.056 1.00 0.00 N ATOM 241 CA HIS A 17 1.578 6.232 5.171 1.00 0.00 C ATOM 242 C HIS A 17 0.060 6.080 5.067 1.00 0.00 C ATOM 243 O HIS A 17 -0.494 5.054 5.463 1.00 0.00 O ATOM 244 CB HIS A 17 1.967 6.871 6.510 1.00 0.00 C ATOM 245 CG HIS A 17 1.222 8.129 6.835 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.109 9.189 5.961 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.557 8.496 7.956 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.408 10.154 6.531 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.062 9.758 7.741 1.00 0.00 N ATOM 0 H HIS A 17 1.408 7.390 3.427 1.00 0.00 H new ATOM 0 HA HIS A 17 2.015 5.235 5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.798 6.147 7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.035 7.088 6.498 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.504 9.223 5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.438 7.906 8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.161 11.105 6.082 1.00 0.00 H new ATOM 258 N ILE A 18 -0.609 7.096 4.530 1.00 0.00 N ATOM 259 CA ILE A 18 -2.059 7.054 4.376 1.00 0.00 C ATOM 260 C ILE A 18 -2.447 6.710 2.940 1.00 0.00 C ATOM 261 O ILE A 18 -1.991 7.350 1.992 1.00 0.00 O ATOM 262 CB ILE A 18 -2.710 8.395 4.779 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.467 8.671 6.265 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.204 8.387 4.472 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.280 7.791 7.191 1.00 0.00 C ATOM 0 H ILE A 18 -0.172 7.955 4.196 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.428 6.274 5.042 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.251 9.192 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.408 8.531 6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.700 9.715 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.641 9.342 4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.355 8.231 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.685 7.582 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.054 8.045 8.226 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.342 7.948 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.030 6.745 7.011 1.00 0.00 H new ATOM 277 N LEU A 19 -3.290 5.694 2.791 1.00 0.00 N ATOM 278 CA LEU A 19 -3.741 5.258 1.475 1.00 0.00 C ATOM 279 C LEU A 19 -5.196 5.644 1.240 1.00 0.00 C ATOM 280 O LEU A 19 -6.018 5.593 2.154 1.00 0.00 O ATOM 281 CB LEU A 19 -3.579 3.743 1.336 1.00 0.00 C ATOM 282 CG LEU A 19 -4.082 3.155 0.016 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.340 1.870 -0.312 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.582 2.905 0.083 1.00 0.00 C ATOM 0 H LEU A 19 -3.675 5.156 3.567 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.126 5.757 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.524 3.494 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.109 3.260 2.157 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.888 3.875 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.711 1.466 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.274 2.078 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.502 1.143 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.924 2.487 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.798 2.204 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.100 3.845 0.272 1.00 0.00 H new ATOM 296 N HIS A 20 -5.508 6.023 0.005 1.00 0.00 N ATOM 297 CA HIS A 20 -6.868 6.410 -0.358 1.00 0.00 C ATOM 298 C HIS A 20 -7.257 5.792 -1.695 1.00 0.00 C ATOM 299 O HIS A 20 -6.481 5.820 -2.651 1.00 0.00 O ATOM 300 CB HIS A 20 -7.008 7.937 -0.428 1.00 0.00 C ATOM 301 CG HIS A 20 -5.855 8.686 0.167 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.591 8.678 -0.381 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.781 9.469 1.269 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.789 9.423 0.357 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.486 9.915 1.364 1.00 0.00 N ATOM 0 H HIS A 20 -4.838 6.071 -0.762 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.539 6.038 0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.120 8.233 -1.471 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.923 8.231 0.087 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.318 8.175 -1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.590 9.700 1.947 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.740 9.600 0.169 1.00 0.00 H new ATOM 314 N ALA A 21 -8.458 5.231 -1.757 1.00 0.00 N ATOM 315 CA ALA A 21 -8.941 4.603 -2.979 1.00 0.00 C ATOM 316 C ALA A 21 -10.441 4.344 -2.910 1.00 0.00 C ATOM 317 O ALA A 21 -10.971 3.975 -1.861 1.00 0.00 O ATOM 318 CB ALA A 21 -8.188 3.307 -3.234 1.00 0.00 C ATOM 0 H ALA A 21 -9.114 5.198 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.759 5.287 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.557 2.846 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.124 3.519 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.342 2.626 -2.397 1.00 0.00 H new ATOM 324 N GLU A 22 -11.121 4.538 -4.035 1.00 0.00 N ATOM 325 CA GLU A 22 -12.562 4.325 -4.105 1.00 0.00 C ATOM 326 C GLU A 22 -12.875 2.925 -4.623 1.00 0.00 C ATOM 327 O GLU A 22 -12.866 2.683 -5.829 1.00 0.00 O ATOM 328 CB GLU A 22 -13.219 5.372 -5.011 1.00 0.00 C ATOM 329 CG GLU A 22 -12.472 6.696 -5.068 1.00 0.00 C ATOM 330 CD GLU A 22 -12.334 7.347 -3.706 1.00 0.00 C ATOM 331 OE1 GLU A 22 -11.507 6.871 -2.900 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.053 8.335 -3.445 1.00 0.00 O ATOM 0 H GLU A 22 -10.697 4.843 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.966 4.426 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.297 4.967 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.235 5.554 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.481 6.532 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.996 7.376 -5.740 1.00 0.00 H new ATOM 339 N CYS A 23 -13.148 2.006 -3.703 1.00 0.00 N ATOM 340 CA CYS A 23 -13.460 0.629 -4.070 1.00 0.00 C ATOM 341 C CYS A 23 -14.966 0.390 -4.066 1.00 0.00 C ATOM 342 O CYS A 23 -15.673 0.834 -3.162 1.00 0.00 O ATOM 343 CB CYS A 23 -12.775 -0.345 -3.110 1.00 0.00 C ATOM 344 SG CYS A 23 -11.041 0.042 -2.776 1.00 0.00 S ATOM 0 H CYS A 23 -13.160 2.189 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.087 0.457 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.322 -0.354 -2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.838 -1.351 -3.524 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.290 -0.929 -3.203 1.00 0.00 H new ATOM 350 N GLY A 24 -15.450 -0.317 -5.082 1.00 0.00 N ATOM 351 CA GLY A 24 -16.869 -0.606 -5.176 1.00 0.00 C ATOM 352 C GLY A 24 -17.287 -1.750 -4.274 1.00 0.00 C ATOM 353 O GLY A 24 -16.445 -2.398 -3.652 1.00 0.00 O ATOM 0 H GLY A 24 -14.885 -0.695 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.437 0.286 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.120 -0.851 -6.208 1.00 0.00 H new ATOM 357 N ASN A 25 -18.591 -1.999 -4.202 1.00 0.00 N ATOM 358 CA ASN A 25 -19.118 -3.076 -3.366 1.00 0.00 C ATOM 359 C ASN A 25 -19.727 -4.183 -4.223 1.00 0.00 C ATOM 360 O ASN A 25 -19.750 -5.347 -3.823 1.00 0.00 O ATOM 361 CB ASN A 25 -20.165 -2.543 -2.376 1.00 0.00 C ATOM 362 CG ASN A 25 -20.590 -1.116 -2.669 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.313 -0.202 -1.893 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.268 -0.920 -3.793 1.00 0.00 N ATOM 0 H ASN A 25 -19.301 -1.472 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.284 -3.491 -2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.042 -3.189 -2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.760 -2.595 -1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.581 0.018 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.476 -1.707 -4.407 1.00 0.00 H new ATOM 433 N VAL A 31 -17.119 3.286 -3.235 1.00 0.00 N ATOM 434 CA VAL A 31 -16.974 3.735 -1.855 1.00 0.00 C ATOM 435 C VAL A 31 -15.554 4.215 -1.577 1.00 0.00 C ATOM 436 O VAL A 31 -14.584 3.521 -1.880 1.00 0.00 O ATOM 437 CB VAL A 31 -17.328 2.615 -0.859 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.392 3.162 0.559 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.642 1.953 -1.243 1.00 0.00 C ATOM 0 HA VAL A 31 -17.668 4.565 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.543 1.859 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.643 2.356 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.424 3.583 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.155 3.939 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.875 1.164 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.439 2.696 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.555 1.523 -2.241 1.00 0.00 H new ATOM 449 N GLU A 32 -15.440 5.405 -0.997 1.00 0.00 N ATOM 450 CA GLU A 32 -14.143 5.980 -0.675 1.00 0.00 C ATOM 451 C GLU A 32 -13.630 5.439 0.659 1.00 0.00 C ATOM 452 O GLU A 32 -14.254 5.637 1.701 1.00 0.00 O ATOM 453 CB GLU A 32 -14.250 7.508 -0.630 1.00 0.00 C ATOM 454 CG GLU A 32 -13.080 8.188 0.059 1.00 0.00 C ATOM 455 CD GLU A 32 -12.933 9.644 -0.338 1.00 0.00 C ATOM 456 OE1 GLU A 32 -12.766 9.916 -1.546 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.985 10.512 0.558 1.00 0.00 O ATOM 0 H GLU A 32 -16.235 5.991 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.431 5.698 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.329 7.887 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.171 7.783 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.211 8.122 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.161 7.655 -0.184 1.00 0.00 H new ATOM 464 N SER A 33 -12.490 4.757 0.617 1.00 0.00 N ATOM 465 CA SER A 33 -11.894 4.189 1.820 1.00 0.00 C ATOM 466 C SER A 33 -10.402 4.496 1.884 1.00 0.00 C ATOM 467 O SER A 33 -9.814 4.973 0.914 1.00 0.00 O ATOM 468 CB SER A 33 -12.117 2.677 1.861 1.00 0.00 C ATOM 469 OG SER A 33 -13.416 2.341 1.404 1.00 0.00 O ATOM 0 H SER A 33 -11.961 4.584 -0.238 1.00 0.00 H new ATOM 0 HA SER A 33 -12.378 4.644 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.370 2.179 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.981 2.314 2.880 1.00 0.00 H new ATOM 0 HG SER A 33 -13.349 1.674 0.689 1.00 0.00 H new ATOM 475 N THR A 34 -9.794 4.223 3.034 1.00 0.00 N ATOM 476 CA THR A 34 -8.370 4.473 3.223 1.00 0.00 C ATOM 477 C THR A 34 -7.736 3.399 4.100 1.00 0.00 C ATOM 478 O THR A 34 -8.414 2.757 4.902 1.00 0.00 O ATOM 479 CB THR A 34 -8.154 5.852 3.849 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.884 5.973 5.057 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.570 6.992 2.945 1.00 0.00 C ATOM 0 H THR A 34 -10.265 3.829 3.848 1.00 0.00 H new ATOM 0 HA THR A 34 -7.890 4.444 2.245 1.00 0.00 H new ATOM 0 HB THR A 34 -7.081 5.924 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.732 6.861 5.444 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.390 7.941 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.989 6.956 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.630 6.901 2.710 1.00 0.00 H new ATOM 489 N LEU A 35 -6.430 3.212 3.942 1.00 0.00 N ATOM 490 CA LEU A 35 -5.699 2.218 4.720 1.00 0.00 C ATOM 491 C LEU A 35 -4.386 2.793 5.238 1.00 0.00 C ATOM 492 O LEU A 35 -3.647 3.444 4.499 1.00 0.00 O ATOM 493 CB LEU A 35 -5.423 0.975 3.871 1.00 0.00 C ATOM 494 CG LEU A 35 -4.990 -0.263 4.662 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.069 -1.334 4.616 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.673 -0.808 4.126 1.00 0.00 C ATOM 0 H LEU A 35 -5.856 3.736 3.282 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.316 1.937 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.323 0.731 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.646 1.214 3.145 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.843 0.030 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.742 -2.205 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.989 -0.943 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.251 -1.623 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.382 -1.687 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.793 -1.083 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.900 -0.044 4.215 1.00 0.00 H new ATOM 508 N ASP A 36 -4.101 2.548 6.512 1.00 0.00 N ATOM 509 CA ASP A 36 -2.877 3.039 7.130 1.00 0.00 C ATOM 510 C ASP A 36 -1.785 1.979 7.084 1.00 0.00 C ATOM 511 O ASP A 36 -1.964 0.867 7.571 1.00 0.00 O ATOM 512 CB ASP A 36 -3.143 3.454 8.578 1.00 0.00 C ATOM 513 CG ASP A 36 -1.918 4.053 9.242 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.132 4.725 8.543 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.746 3.848 10.462 1.00 0.00 O ATOM 0 H ASP A 36 -4.703 2.011 7.137 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.538 3.909 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.957 4.179 8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.473 2.585 9.147 1.00 0.00 H new ATOM 520 N LEU A 37 -0.658 2.330 6.489 1.00 0.00 N ATOM 521 CA LEU A 37 0.471 1.415 6.386 1.00 0.00 C ATOM 522 C LEU A 37 1.367 1.535 7.603 1.00 0.00 C ATOM 523 O LEU A 37 2.016 0.573 8.012 1.00 0.00 O ATOM 524 CB LEU A 37 1.272 1.696 5.130 1.00 0.00 C ATOM 525 CG LEU A 37 0.447 2.183 3.951 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.196 3.274 3.224 1.00 0.00 C ATOM 527 CD2 LEU A 37 0.110 1.022 3.035 1.00 0.00 C ATOM 0 H LEU A 37 -0.498 3.245 6.068 1.00 0.00 H new ATOM 0 HA LEU A 37 0.079 0.399 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.032 2.443 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.797 0.786 4.838 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.494 2.602 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.602 3.622 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.380 4.105 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.148 2.884 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.481 1.382 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.031 0.571 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.462 0.277 3.588 1.00 0.00 H new ATOM 539 N ASP A 38 1.393 2.732 8.183 1.00 0.00 N ATOM 540 CA ASP A 38 2.205 2.990 9.362 1.00 0.00 C ATOM 541 C ASP A 38 1.843 2.028 10.486 1.00 0.00 C ATOM 542 O ASP A 38 2.564 1.917 11.477 1.00 0.00 O ATOM 543 CB ASP A 38 2.019 4.434 9.830 1.00 0.00 C ATOM 544 CG ASP A 38 3.220 4.952 10.598 1.00 0.00 C ATOM 545 OD1 ASP A 38 3.415 4.523 11.754 1.00 0.00 O ATOM 546 OD2 ASP A 38 3.965 5.787 10.043 1.00 0.00 O ATOM 0 H ASP A 38 0.860 3.537 7.853 1.00 0.00 H new ATOM 0 HA ASP A 38 3.251 2.836 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.841 5.073 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.133 4.497 10.461 1.00 0.00 H new ATOM 551 N TYR A 39 0.721 1.328 10.327 1.00 0.00 N ATOM 552 CA TYR A 39 0.280 0.374 11.339 1.00 0.00 C ATOM 553 C TYR A 39 0.005 -1.006 10.733 1.00 0.00 C ATOM 554 O TYR A 39 -0.366 -1.938 11.445 1.00 0.00 O ATOM 555 CB TYR A 39 -0.959 0.912 12.071 1.00 0.00 C ATOM 556 CG TYR A 39 -2.280 0.463 11.486 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.503 0.511 10.120 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.302 -0.005 12.303 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.708 0.104 9.578 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.509 -0.414 11.771 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.708 -0.357 10.408 1.00 0.00 C ATOM 562 OH TYR A 39 -5.909 -0.763 9.873 1.00 0.00 O ATOM 0 H TYR A 39 0.107 1.403 9.516 1.00 0.00 H new ATOM 0 HA TYR A 39 1.087 0.252 12.062 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.913 0.599 13.114 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.925 2.001 12.064 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.722 0.872 9.467 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.150 -0.050 13.371 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.865 0.147 8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.293 -0.777 12.419 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.832 -1.689 9.561 1.00 0.00 H new ATOM 572 N TYR A 40 0.194 -1.135 9.419 1.00 0.00 N ATOM 573 CA TYR A 40 -0.031 -2.407 8.739 1.00 0.00 C ATOM 574 C TYR A 40 1.256 -2.928 8.099 1.00 0.00 C ATOM 575 O TYR A 40 1.394 -4.126 7.853 1.00 0.00 O ATOM 576 CB TYR A 40 -1.124 -2.256 7.677 1.00 0.00 C ATOM 577 CG TYR A 40 -2.475 -2.783 8.112 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.857 -2.760 9.449 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.369 -3.304 7.185 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.089 -3.241 9.848 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.604 -3.786 7.577 1.00 0.00 C ATOM 582 CZ TYR A 40 -4.959 -3.752 8.908 1.00 0.00 C ATOM 583 OH TYR A 40 -6.187 -4.232 9.302 1.00 0.00 O ATOM 0 H TYR A 40 0.501 -0.377 8.809 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.357 -3.133 9.484 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.222 -1.202 7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.814 -2.780 6.773 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.179 -2.359 10.188 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.095 -3.333 6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.369 -3.217 10.891 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.287 -4.187 6.843 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.679 -4.555 8.518 1.00 0.00 H new ATOM 593 N ILE A 41 2.197 -2.024 7.833 1.00 0.00 N ATOM 594 CA ILE A 41 3.469 -2.400 7.225 1.00 0.00 C ATOM 595 C ILE A 41 4.644 -1.934 8.083 1.00 0.00 C ATOM 596 O ILE A 41 4.618 -0.842 8.649 1.00 0.00 O ATOM 597 CB ILE A 41 3.607 -1.812 5.805 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.551 -2.419 4.880 1.00 0.00 C ATOM 599 CG2 ILE A 41 5.004 -2.058 5.250 1.00 0.00 C ATOM 600 CD1 ILE A 41 2.066 -1.465 3.812 1.00 0.00 C ATOM 0 H ILE A 41 2.102 -1.028 8.029 1.00 0.00 H new ATOM 0 HA ILE A 41 3.484 -3.488 7.158 1.00 0.00 H new ATOM 0 HB ILE A 41 3.450 -0.735 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.965 -3.307 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.700 -2.746 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.077 -1.635 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.742 -1.585 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.194 -3.130 5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.319 -1.961 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.622 -0.587 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.907 -1.157 3.190 1.00 0.00 H new ATOM 612 N GLY A 42 5.673 -2.771 8.171 1.00 0.00 N ATOM 613 CA GLY A 42 6.843 -2.428 8.960 1.00 0.00 C ATOM 614 C GLY A 42 8.136 -2.594 8.186 1.00 0.00 C ATOM 615 O GLY A 42 8.128 -3.032 7.035 1.00 0.00 O ATOM 0 H GLY A 42 5.718 -3.680 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.757 -1.396 9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.873 -3.056 9.850 1.00 0.00 H new ATOM 619 N ASN A 43 9.250 -2.245 8.821 1.00 0.00 N ATOM 620 CA ASN A 43 10.559 -2.357 8.189 1.00 0.00 C ATOM 621 C ASN A 43 11.239 -3.667 8.574 1.00 0.00 C ATOM 622 O ASN A 43 11.679 -3.840 9.710 1.00 0.00 O ATOM 623 CB ASN A 43 11.444 -1.173 8.588 1.00 0.00 C ATOM 624 CG ASN A 43 12.843 -1.269 8.009 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.538 -2.268 8.193 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.265 -0.226 7.306 1.00 0.00 N ATOM 0 H ASN A 43 9.272 -1.882 9.774 1.00 0.00 H new ATOM 0 HA ASN A 43 10.415 -2.347 7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.978 -0.247 8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.507 -1.122 9.675 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.198 -0.233 6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.656 0.582 7.178 1.00 0.00 H new ATOM 633 N ASP A 44 11.326 -4.585 7.618 1.00 0.00 N ATOM 634 CA ASP A 44 11.959 -5.877 7.855 1.00 0.00 C ATOM 635 C ASP A 44 13.259 -5.997 7.066 1.00 0.00 C ATOM 636 O ASP A 44 13.248 -6.321 5.878 1.00 0.00 O ATOM 637 CB ASP A 44 11.008 -7.012 7.471 1.00 0.00 C ATOM 638 CG ASP A 44 11.575 -8.378 7.802 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.365 -8.476 8.765 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.231 -9.351 7.099 1.00 0.00 O ATOM 0 H ASP A 44 10.966 -4.459 6.672 1.00 0.00 H new ATOM 0 HA ASP A 44 12.191 -5.952 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.060 -6.879 7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.796 -6.959 6.403 1.00 0.00 H new ATOM 645 N ASP A 45 14.378 -5.735 7.734 1.00 0.00 N ATOM 646 CA ASP A 45 15.687 -5.815 7.096 1.00 0.00 C ATOM 647 C ASP A 45 15.751 -4.914 5.866 1.00 0.00 C ATOM 648 O ASP A 45 16.199 -5.333 4.798 1.00 0.00 O ATOM 649 CB ASP A 45 15.996 -7.261 6.702 1.00 0.00 C ATOM 650 CG ASP A 45 17.419 -7.434 6.207 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.324 -6.772 6.758 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.629 -8.232 5.270 1.00 0.00 O ATOM 0 H ASP A 45 14.404 -5.465 8.717 1.00 0.00 H new ATOM 0 HA ASP A 45 16.434 -5.472 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.831 -7.912 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.302 -7.579 5.924 1.00 0.00 H new ATOM 657 N GLY A 46 15.296 -3.675 6.023 1.00 0.00 N ATOM 658 CA GLY A 46 15.308 -2.736 4.917 1.00 0.00 C ATOM 659 C GLY A 46 14.337 -3.122 3.817 1.00 0.00 C ATOM 660 O GLY A 46 14.455 -2.654 2.684 1.00 0.00 O ATOM 0 H GLY A 46 14.920 -3.305 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.057 -1.742 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.315 -2.678 4.504 1.00 0.00 H new ATOM 664 N SER A 47 13.374 -3.977 4.149 1.00 0.00 N ATOM 665 CA SER A 47 12.380 -4.424 3.181 1.00 0.00 C ATOM 666 C SER A 47 10.969 -4.244 3.730 1.00 0.00 C ATOM 667 O SER A 47 10.778 -4.062 4.932 1.00 0.00 O ATOM 668 CB SER A 47 12.615 -5.891 2.816 1.00 0.00 C ATOM 669 OG SER A 47 13.953 -6.106 2.401 1.00 0.00 O ATOM 0 H SER A 47 13.262 -4.374 5.082 1.00 0.00 H new ATOM 0 HA SER A 47 12.483 -3.814 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.392 -6.523 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.932 -6.184 2.019 1.00 0.00 H new ATOM 0 HG SER A 47 14.078 -7.051 2.175 1.00 0.00 H new ATOM 675 N PHE A 48 9.983 -4.296 2.841 1.00 0.00 N ATOM 676 CA PHE A 48 8.588 -4.138 3.236 1.00 0.00 C ATOM 677 C PHE A 48 8.016 -5.454 3.755 1.00 0.00 C ATOM 678 O PHE A 48 8.290 -6.521 3.206 1.00 0.00 O ATOM 679 CB PHE A 48 7.757 -3.638 2.054 1.00 0.00 C ATOM 680 CG PHE A 48 7.946 -2.175 1.765 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.834 -1.237 2.778 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.235 -1.740 0.482 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.006 0.109 2.516 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.409 -0.395 0.214 1.00 0.00 C ATOM 685 CZ PHE A 48 8.294 0.531 1.233 1.00 0.00 C ATOM 0 H PHE A 48 10.124 -4.446 1.842 1.00 0.00 H new ATOM 0 HA PHE A 48 8.544 -3.403 4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.020 -4.213 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.703 -3.827 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.610 -1.561 3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.325 -2.460 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.915 0.831 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.635 -0.069 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.429 1.582 1.027 1.00 0.00 H new ATOM 695 N SER A 49 7.221 -5.369 4.817 1.00 0.00 N ATOM 696 CA SER A 49 6.611 -6.553 5.411 1.00 0.00 C ATOM 697 C SER A 49 5.114 -6.350 5.622 1.00 0.00 C ATOM 698 O SER A 49 4.690 -5.359 6.217 1.00 0.00 O ATOM 699 CB SER A 49 7.287 -6.885 6.744 1.00 0.00 C ATOM 700 OG SER A 49 8.252 -7.910 6.585 1.00 0.00 O ATOM 0 H SER A 49 6.984 -4.493 5.283 1.00 0.00 H new ATOM 0 HA SER A 49 6.750 -7.386 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.764 -5.991 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.535 -7.198 7.469 1.00 0.00 H new ATOM 0 HG SER A 49 8.437 -8.323 7.454 1.00 0.00 H new ATOM 706 N TRP A 50 4.319 -7.295 5.132 1.00 0.00 N ATOM 707 CA TRP A 50 2.869 -7.222 5.267 1.00 0.00 C ATOM 708 C TRP A 50 2.436 -7.603 6.679 1.00 0.00 C ATOM 709 O TRP A 50 2.645 -8.733 7.119 1.00 0.00 O ATOM 710 CB TRP A 50 2.196 -8.141 4.248 1.00 0.00 C ATOM 711 CG TRP A 50 2.060 -7.524 2.889 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.630 -7.963 1.729 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.307 -6.354 2.550 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.278 -7.137 0.689 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.466 -6.143 1.167 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.513 -5.465 3.280 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.860 -5.080 0.502 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.088 -4.411 2.618 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.089 -4.226 1.241 1.00 0.00 C ATOM 0 H TRP A 50 4.655 -8.121 4.637 1.00 0.00 H new ATOM 0 HA TRP A 50 2.561 -6.194 5.077 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.772 -9.062 4.165 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.207 -8.416 4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.265 -8.832 1.641 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.573 -7.246 -0.281 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.372 -5.599 4.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.994 -4.935 -0.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.704 -3.718 3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.393 -3.392 0.753 1.00 0.00 H new ATOM 730 N GLY A 51 1.833 -6.651 7.383 1.00 0.00 N ATOM 731 CA GLY A 51 1.380 -6.905 8.738 1.00 0.00 C ATOM 732 C GLY A 51 2.246 -6.225 9.783 1.00 0.00 C ATOM 733 O GLY A 51 2.091 -6.471 10.979 1.00 0.00 O ATOM 0 H GLY A 51 1.650 -5.708 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.352 -6.559 8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.375 -7.980 8.920 1.00 0.00 H new ATOM 737 N GLY A 52 3.160 -5.367 9.335 1.00 0.00 N ATOM 738 CA GLY A 52 4.033 -4.667 10.259 1.00 0.00 C ATOM 739 C GLY A 52 3.498 -3.301 10.637 1.00 0.00 C ATOM 740 O GLY A 52 2.288 -3.076 10.626 1.00 0.00 O ATOM 0 H GLY A 52 3.310 -5.145 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.159 -5.267 11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.020 -4.556 9.809 1.00 0.00 H new ATOM 744 N GLU A 53 4.401 -2.386 10.975 1.00 0.00 N ATOM 745 CA GLU A 53 4.011 -1.034 11.359 1.00 0.00 C ATOM 746 C GLU A 53 5.236 -0.173 11.645 1.00 0.00 C ATOM 747 O GLU A 53 6.314 -0.687 11.941 1.00 0.00 O ATOM 748 CB GLU A 53 3.102 -1.073 12.588 1.00 0.00 C ATOM 749 CG GLU A 53 3.667 -1.891 13.737 1.00 0.00 C ATOM 750 CD GLU A 53 2.746 -1.916 14.942 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.622 -2.446 14.818 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.149 -1.406 16.008 1.00 0.00 O ATOM 0 H GLU A 53 5.407 -2.556 10.991 1.00 0.00 H new ATOM 0 HA GLU A 53 3.466 -0.590 10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.925 -0.054 12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.135 -1.485 12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.845 -2.912 13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.633 -1.480 14.031 1.00 0.00 H new ATOM 759 N ASN A 54 5.059 1.141 11.556 1.00 0.00 N ATOM 760 CA ASN A 54 6.148 2.081 11.807 1.00 0.00 C ATOM 761 C ASN A 54 7.242 1.942 10.753 1.00 0.00 C ATOM 762 O ASN A 54 8.409 2.235 11.015 1.00 0.00 O ATOM 763 CB ASN A 54 6.741 1.863 13.204 1.00 0.00 C ATOM 764 CG ASN A 54 5.713 1.391 14.213 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.997 0.536 15.052 1.00 0.00 O ATOM 766 ND2 ASN A 54 4.511 1.945 14.135 1.00 0.00 N ATOM 0 H ASN A 54 4.171 1.580 11.312 1.00 0.00 H new ATOM 0 HA ASN A 54 5.736 3.089 11.751 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.545 1.130 13.142 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.186 2.795 13.554 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.778 1.666 14.787 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.320 2.650 13.423 1.00 0.00 H new ATOM 773 N PHE A 55 6.861 1.494 9.561 1.00 0.00 N ATOM 774 CA PHE A 55 7.813 1.320 8.472 1.00 0.00 C ATOM 775 C PHE A 55 8.470 2.650 8.108 1.00 0.00 C ATOM 776 O PHE A 55 9.678 2.718 7.885 1.00 0.00 O ATOM 777 CB PHE A 55 7.115 0.721 7.246 1.00 0.00 C ATOM 778 CG PHE A 55 6.268 1.706 6.489 1.00 0.00 C ATOM 779 CD1 PHE A 55 5.026 2.088 6.970 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.716 2.250 5.296 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.247 2.994 6.276 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.942 3.156 4.597 1.00 0.00 C ATOM 783 CZ PHE A 55 4.706 3.529 5.087 1.00 0.00 C ATOM 0 H PHE A 55 5.900 1.245 9.326 1.00 0.00 H new ATOM 0 HA PHE A 55 8.591 0.633 8.805 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.869 0.312 6.574 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.489 -0.112 7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.662 1.673 7.898 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.682 1.962 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.281 3.284 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.303 3.572 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.099 4.237 4.542 1.00 0.00 H new ATOM 793 N SER A 56 7.661 3.703 8.051 1.00 0.00 N ATOM 794 CA SER A 56 8.157 5.033 7.716 1.00 0.00 C ATOM 795 C SER A 56 9.150 5.527 8.764 1.00 0.00 C ATOM 796 O SER A 56 10.033 6.330 8.465 1.00 0.00 O ATOM 797 CB SER A 56 6.993 6.018 7.595 1.00 0.00 C ATOM 798 OG SER A 56 7.460 7.352 7.500 1.00 0.00 O ATOM 0 H SER A 56 6.658 3.661 8.233 1.00 0.00 H new ATOM 0 HA SER A 56 8.672 4.969 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.397 5.775 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.338 5.920 8.461 1.00 0.00 H new ATOM 0 HG SER A 56 6.696 7.961 7.422 1.00 0.00 H new ATOM 804 N GLY A 57 8.999 5.042 9.993 1.00 0.00 N ATOM 805 CA GLY A 57 9.891 5.446 11.066 1.00 0.00 C ATOM 806 C GLY A 57 11.354 5.260 10.712 1.00 0.00 C ATOM 807 O GLY A 57 12.222 5.950 11.248 1.00 0.00 O ATOM 0 H GLY A 57 8.275 4.377 10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.710 6.493 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.662 4.868 11.961 1.00 0.00 H new ATOM 811 N SER A 58 11.628 4.327 9.806 1.00 0.00 N ATOM 812 CA SER A 58 12.996 4.053 9.381 1.00 0.00 C ATOM 813 C SER A 58 13.119 4.121 7.862 1.00 0.00 C ATOM 814 O SER A 58 13.964 3.450 7.268 1.00 0.00 O ATOM 815 CB SER A 58 13.440 2.677 9.880 1.00 0.00 C ATOM 816 OG SER A 58 12.678 2.271 11.004 1.00 0.00 O ATOM 0 H SER A 58 10.921 3.748 9.352 1.00 0.00 H new ATOM 0 HA SER A 58 13.644 4.815 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.332 1.945 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.497 2.707 10.145 1.00 0.00 H new ATOM 0 HG SER A 58 12.980 1.388 11.302 1.00 0.00 H new ATOM 822 N ALA A 59 12.273 4.935 7.238 1.00 0.00 N ATOM 823 CA ALA A 59 12.290 5.089 5.789 1.00 0.00 C ATOM 824 C ALA A 59 12.346 6.560 5.394 1.00 0.00 C ATOM 825 O ALA A 59 12.202 7.446 6.237 1.00 0.00 O ATOM 826 CB ALA A 59 11.070 4.421 5.173 1.00 0.00 C ATOM 0 H ALA A 59 11.568 5.498 7.714 1.00 0.00 H new ATOM 0 HA ALA A 59 13.188 4.603 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.096 4.544 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.074 3.359 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.165 4.881 5.569 1.00 0.00 H new ATOM 832 N SER A 60 12.557 6.815 4.106 1.00 0.00 N ATOM 833 CA SER A 60 12.631 8.180 3.600 1.00 0.00 C ATOM 834 C SER A 60 11.937 8.298 2.247 1.00 0.00 C ATOM 835 O SER A 60 11.893 7.339 1.478 1.00 0.00 O ATOM 836 CB SER A 60 14.091 8.622 3.478 1.00 0.00 C ATOM 837 OG SER A 60 14.764 8.508 4.720 1.00 0.00 O ATOM 0 H SER A 60 12.680 6.094 3.395 1.00 0.00 H new ATOM 0 HA SER A 60 12.119 8.832 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.597 8.013 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.134 9.654 3.131 1.00 0.00 H new ATOM 0 HG SER A 60 15.695 8.795 4.615 1.00 0.00 H new ATOM 843 N ASN A 61 11.399 9.485 1.966 1.00 0.00 N ATOM 844 CA ASN A 61 10.700 9.752 0.706 1.00 0.00 C ATOM 845 C ASN A 61 9.843 8.563 0.275 1.00 0.00 C ATOM 846 O ASN A 61 10.086 7.953 -0.767 1.00 0.00 O ATOM 847 CB ASN A 61 11.700 10.109 -0.399 1.00 0.00 C ATOM 848 CG ASN A 61 12.939 9.234 -0.373 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.009 9.666 0.056 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.800 7.998 -0.834 1.00 0.00 N ATOM 0 H ASN A 61 11.434 10.284 2.599 1.00 0.00 H new ATOM 0 HA ASN A 61 10.037 10.601 0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.213 10.013 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.995 11.153 -0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.599 7.364 -0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.894 7.682 -1.180 1.00 0.00 H new ATOM 857 N ILE A 62 8.840 8.240 1.084 1.00 0.00 N ATOM 858 CA ILE A 62 7.947 7.126 0.786 1.00 0.00 C ATOM 859 C ILE A 62 6.784 7.579 -0.091 1.00 0.00 C ATOM 860 O ILE A 62 5.993 8.434 0.305 1.00 0.00 O ATOM 861 CB ILE A 62 7.386 6.490 2.075 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.474 6.393 3.147 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.806 5.116 1.777 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.974 5.847 4.466 1.00 0.00 C ATOM 0 H ILE A 62 8.625 8.733 1.951 1.00 0.00 H new ATOM 0 HA ILE A 62 8.537 6.381 0.252 1.00 0.00 H new ATOM 0 HB ILE A 62 6.589 7.128 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.278 5.755 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.901 7.382 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.414 4.679 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.001 5.211 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.587 4.471 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.798 5.806 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.190 6.497 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.573 4.844 4.316 1.00 0.00 H new ATOM 876 N THR A 63 6.687 7.002 -1.285 1.00 0.00 N ATOM 877 CA THR A 63 5.619 7.352 -2.217 1.00 0.00 C ATOM 878 C THR A 63 5.136 6.125 -2.984 1.00 0.00 C ATOM 879 O THR A 63 5.846 5.125 -3.089 1.00 0.00 O ATOM 880 CB THR A 63 6.102 8.422 -3.197 1.00 0.00 C ATOM 881 OG1 THR A 63 7.506 8.348 -3.369 1.00 0.00 O ATOM 882 CG2 THR A 63 5.767 9.831 -2.757 1.00 0.00 C ATOM 0 H THR A 63 7.333 6.292 -1.630 1.00 0.00 H new ATOM 0 HA THR A 63 4.783 7.746 -1.639 1.00 0.00 H new ATOM 0 HB THR A 63 5.579 8.216 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.795 9.039 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.138 10.541 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.686 9.936 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.236 10.033 -1.794 1.00 0.00 H new ATOM 890 N LEU A 64 3.922 6.211 -3.520 1.00 0.00 N ATOM 891 CA LEU A 64 3.340 5.109 -4.279 1.00 0.00 C ATOM 892 C LEU A 64 3.360 5.406 -5.775 1.00 0.00 C ATOM 893 O LEU A 64 2.959 6.486 -6.209 1.00 0.00 O ATOM 894 CB LEU A 64 1.905 4.848 -3.819 1.00 0.00 C ATOM 895 CG LEU A 64 1.256 3.593 -4.404 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.747 2.352 -3.676 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.260 3.692 -4.330 1.00 0.00 C ATOM 0 H LEU A 64 3.322 7.032 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 64 3.941 4.219 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.897 4.770 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.293 5.711 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 64 1.543 3.513 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.275 1.468 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.829 2.273 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.489 2.424 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.704 2.790 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.567 3.797 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.596 4.560 -4.897 1.00 0.00 H new ATOM 909 N ASP A 65 3.829 4.441 -6.558 1.00 0.00 N ATOM 910 CA ASP A 65 3.902 4.598 -8.007 1.00 0.00 C ATOM 911 C ASP A 65 3.242 3.421 -8.719 1.00 0.00 C ATOM 912 O ASP A 65 3.170 2.317 -8.178 1.00 0.00 O ATOM 913 CB ASP A 65 5.359 4.727 -8.453 1.00 0.00 C ATOM 914 CG ASP A 65 6.050 5.925 -7.831 1.00 0.00 C ATOM 915 OD1 ASP A 65 6.171 5.961 -6.589 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.470 6.826 -8.587 1.00 0.00 O ATOM 0 H ASP A 65 4.165 3.541 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 65 3.364 5.507 -8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.900 3.819 -8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.398 4.812 -9.539 1.00 0.00 H new ATOM 921 N ILE A 66 2.765 3.663 -9.936 1.00 0.00 N ATOM 922 CA ILE A 66 2.114 2.625 -10.723 1.00 0.00 C ATOM 923 C ILE A 66 3.147 1.798 -11.486 1.00 0.00 C ATOM 924 O ILE A 66 4.134 2.332 -11.993 1.00 0.00 O ATOM 925 CB ILE A 66 1.095 3.238 -11.715 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.231 3.517 -11.003 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.873 2.327 -12.916 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.998 2.263 -10.635 1.00 0.00 C ATOM 0 H ILE A 66 2.818 4.571 -10.398 1.00 0.00 H new ATOM 0 HA ILE A 66 1.579 1.973 -10.033 1.00 0.00 H new ATOM 0 HB ILE A 66 1.505 4.178 -12.083 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.034 4.091 -10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.855 4.139 -11.645 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.153 2.786 -13.593 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.818 2.177 -13.439 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.490 1.365 -12.577 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.926 2.538 -10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.227 1.698 -11.539 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.393 1.649 -9.967 1.00 0.00 H new ATOM 940 N GLU A 67 2.910 0.493 -11.562 1.00 0.00 N ATOM 941 CA GLU A 67 3.816 -0.410 -12.262 1.00 0.00 C ATOM 942 C GLU A 67 3.051 -1.579 -12.872 1.00 0.00 C ATOM 943 O GLU A 67 2.219 -2.201 -12.212 1.00 0.00 O ATOM 944 CB GLU A 67 4.892 -0.931 -11.308 1.00 0.00 C ATOM 945 CG GLU A 67 6.212 -1.245 -11.993 1.00 0.00 C ATOM 946 CD GLU A 67 6.869 -2.496 -11.446 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.146 -3.480 -11.183 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.107 -2.493 -11.281 1.00 0.00 O ATOM 0 H GLU A 67 2.098 0.037 -11.147 1.00 0.00 H new ATOM 0 HA GLU A 67 4.296 0.148 -13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.064 -0.189 -10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.524 -1.831 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.042 -1.366 -13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.890 -0.400 -11.872 1.00 0.00 H new ATOM 955 N GLY A 68 3.337 -1.872 -14.136 1.00 0.00 N ATOM 956 CA GLY A 68 2.667 -2.964 -14.814 1.00 0.00 C ATOM 957 C GLY A 68 1.544 -2.487 -15.713 1.00 0.00 C ATOM 958 O GLY A 68 0.939 -1.444 -15.463 1.00 0.00 O ATOM 0 H GLY A 68 4.022 -1.372 -14.703 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.393 -3.519 -15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.266 -3.656 -14.073 1.00 0.00 H new ATOM 962 N ASP A 69 1.267 -3.251 -16.763 1.00 0.00 N ATOM 963 CA ASP A 69 0.220 -2.913 -17.705 1.00 0.00 C ATOM 964 C ASP A 69 -1.149 -2.880 -17.029 1.00 0.00 C ATOM 965 O ASP A 69 -2.079 -2.242 -17.522 1.00 0.00 O ATOM 966 CB ASP A 69 0.219 -3.932 -18.838 1.00 0.00 C ATOM 967 CG ASP A 69 0.100 -5.357 -18.335 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.890 -5.660 -17.637 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.997 -6.171 -18.640 1.00 0.00 O ATOM 0 H ASP A 69 1.762 -4.116 -16.980 1.00 0.00 H new ATOM 0 HA ASP A 69 0.417 -1.917 -18.101 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.609 -3.718 -19.514 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.137 -3.829 -19.416 1.00 0.00 H new ATOM 974 N ASP A 70 -1.268 -3.572 -15.900 1.00 0.00 N ATOM 975 CA ASP A 70 -2.526 -3.621 -15.163 1.00 0.00 C ATOM 976 C ASP A 70 -2.653 -2.444 -14.194 1.00 0.00 C ATOM 977 O ASP A 70 -3.678 -2.289 -13.530 1.00 0.00 O ATOM 978 CB ASP A 70 -2.639 -4.942 -14.399 1.00 0.00 C ATOM 979 CG ASP A 70 -3.906 -5.702 -14.741 1.00 0.00 C ATOM 980 OD1 ASP A 70 -4.973 -5.060 -14.844 1.00 0.00 O ATOM 981 OD2 ASP A 70 -3.832 -6.937 -14.906 1.00 0.00 O ATOM 0 H ASP A 70 -0.509 -4.106 -15.476 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.339 -3.551 -15.886 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.773 -5.564 -14.625 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.617 -4.742 -13.328 1.00 0.00 H new ATOM 986 N ASN A 71 -1.610 -1.620 -14.113 1.00 0.00 N ATOM 987 CA ASN A 71 -1.616 -0.466 -13.221 1.00 0.00 C ATOM 988 C ASN A 71 -1.663 -0.911 -11.768 1.00 0.00 C ATOM 989 O ASN A 71 -2.702 -0.832 -11.113 1.00 0.00 O ATOM 990 CB ASN A 71 -2.803 0.449 -13.529 1.00 0.00 C ATOM 991 CG ASN A 71 -2.838 0.883 -14.980 1.00 0.00 C ATOM 992 OD1 ASN A 71 -2.272 1.913 -15.346 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.506 0.098 -15.817 1.00 0.00 N ATOM 0 H ASN A 71 -0.752 -1.731 -14.654 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.694 0.092 -13.385 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.730 -0.069 -13.285 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.754 1.331 -12.890 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.565 0.340 -16.806 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.961 -0.747 -15.471 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.527 -1.383 -11.274 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.430 -1.848 -9.899 1.00 0.00 C ATOM 1002 C ILE A 72 0.278 -0.819 -9.020 1.00 0.00 C ATOM 1003 O ILE A 72 1.387 -0.385 -9.333 1.00 0.00 O ATOM 1004 CB ILE A 72 0.323 -3.188 -9.808 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.061 -4.047 -11.049 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.093 -3.931 -8.552 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.386 -4.456 -11.208 1.00 0.00 C ATOM 0 H ILE A 72 0.340 -1.454 -11.806 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.450 -1.990 -9.541 1.00 0.00 H new ATOM 0 HB ILE A 72 1.392 -2.982 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.373 -3.495 -11.935 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.680 -4.943 -10.998 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.444 -4.878 -8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.143 -3.326 -7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.166 -4.123 -8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.496 -5.062 -12.107 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.698 -5.036 -10.339 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.009 -3.565 -11.292 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.353 -0.412 -7.904 1.00 0.00 N ATOM 1020 CA PRO A 73 0.228 0.570 -6.984 1.00 0.00 C ATOM 1021 C PRO A 73 1.382 -0.008 -6.172 1.00 0.00 C ATOM 1022 O PRO A 73 1.169 -0.736 -5.203 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.942 0.929 -6.068 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.811 -0.279 -6.076 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.680 -0.876 -7.450 1.00 0.00 C ATOM 0 HA PRO A 73 0.653 1.424 -7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.599 1.163 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.478 1.805 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.498 -0.989 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.847 -0.016 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.736 -1.964 -7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.474 -0.533 -8.114 1.00 0.00 H new ATOM 1033 N VAL A 74 2.605 0.320 -6.576 1.00 0.00 N ATOM 1034 CA VAL A 74 3.793 -0.169 -5.886 1.00 0.00 C ATOM 1035 C VAL A 74 4.425 0.925 -5.031 1.00 0.00 C ATOM 1036 O VAL A 74 4.837 1.966 -5.542 1.00 0.00 O ATOM 1037 CB VAL A 74 4.843 -0.698 -6.880 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.981 -1.385 -6.141 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.200 -1.644 -7.883 1.00 0.00 C ATOM 0 H VAL A 74 2.799 0.922 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 74 3.468 -0.986 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 74 5.256 0.149 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.713 -1.752 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.459 -0.674 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.587 -2.222 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.957 -2.008 -8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.757 -2.488 -7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.424 -1.115 -8.437 1.00 0.00 H new ATOM 1049 N LEU A 75 4.502 0.679 -3.727 1.00 0.00 N ATOM 1050 CA LEU A 75 5.087 1.640 -2.800 1.00 0.00 C ATOM 1051 C LEU A 75 6.601 1.476 -2.737 1.00 0.00 C ATOM 1052 O LEU A 75 7.105 0.423 -2.348 1.00 0.00 O ATOM 1053 CB LEU A 75 4.484 1.467 -1.404 1.00 0.00 C ATOM 1054 CG LEU A 75 5.032 2.415 -0.336 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.924 3.862 -0.796 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.295 2.214 0.980 1.00 0.00 C ATOM 0 H LEU A 75 4.166 -0.179 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 75 4.861 2.643 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.405 1.607 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.653 0.441 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 75 6.086 2.186 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.319 4.520 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.497 3.996 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.878 4.108 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.697 2.896 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.233 2.416 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.426 1.186 1.317 1.00 0.00 H new ATOM 1068 N ARG A 76 7.321 2.523 -3.126 1.00 0.00 N ATOM 1069 CA ARG A 76 8.779 2.493 -3.119 1.00 0.00 C ATOM 1070 C ARG A 76 9.344 3.541 -2.165 1.00 0.00 C ATOM 1071 O ARG A 76 8.934 4.701 -2.187 1.00 0.00 O ATOM 1072 CB ARG A 76 9.320 2.729 -4.530 1.00 0.00 C ATOM 1073 CG ARG A 76 9.564 1.448 -5.310 1.00 0.00 C ATOM 1074 CD ARG A 76 9.685 1.718 -6.801 1.00 0.00 C ATOM 1075 NE ARG A 76 8.421 1.503 -7.501 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.322 1.333 -8.817 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.409 1.352 -9.579 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.133 1.144 -9.374 1.00 0.00 N ATOM 0 H ARG A 76 6.919 3.403 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 76 9.094 1.508 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.615 3.351 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.254 3.287 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.475 0.970 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.746 0.750 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.016 2.745 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.450 1.068 -7.226 1.00 0.00 H new ATOM 0 HE ARG A 76 7.564 1.482 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.326 1.497 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.327 1.221 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.294 1.129 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.057 1.014 -10.383 1.00 0.00 H new ATOM 1092 N ALA A 77 10.289 3.123 -1.329 1.00 0.00 N ATOM 1093 CA ALA A 77 10.913 4.024 -0.368 1.00 0.00 C ATOM 1094 C ALA A 77 12.177 3.408 0.223 1.00 0.00 C ATOM 1095 O ALA A 77 12.248 2.198 0.437 1.00 0.00 O ATOM 1096 CB ALA A 77 9.930 4.378 0.738 1.00 0.00 C ATOM 0 H ALA A 77 10.639 2.166 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 77 11.197 4.936 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.409 5.051 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.057 4.867 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.619 3.469 1.253 1.00 0.00 H new ATOM 1102 N GLU A 78 13.172 4.249 0.486 1.00 0.00 N ATOM 1103 CA GLU A 78 14.433 3.786 1.056 1.00 0.00 C ATOM 1104 C GLU A 78 14.245 3.359 2.508 1.00 0.00 C ATOM 1105 O GLU A 78 13.979 4.186 3.379 1.00 0.00 O ATOM 1106 CB GLU A 78 15.492 4.887 0.968 1.00 0.00 C ATOM 1107 CG GLU A 78 16.311 4.843 -0.312 1.00 0.00 C ATOM 1108 CD GLU A 78 17.697 5.432 -0.138 1.00 0.00 C ATOM 1109 OE1 GLU A 78 17.794 6.622 0.231 1.00 0.00 O ATOM 1110 OE2 GLU A 78 18.685 4.704 -0.370 1.00 0.00 O ATOM 0 H GLU A 78 13.130 5.254 0.314 1.00 0.00 H new ATOM 0 HA GLU A 78 14.770 2.923 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.002 5.858 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.164 4.803 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.399 3.810 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.784 5.388 -1.095 1.00 0.00 H new ATOM 1117 N LEU A 79 14.383 2.061 2.761 1.00 0.00 N ATOM 1118 CA LEU A 79 14.224 1.524 4.108 1.00 0.00 C ATOM 1119 C LEU A 79 15.579 1.301 4.773 1.00 0.00 C ATOM 1120 O LEU A 79 16.577 1.043 4.101 1.00 0.00 O ATOM 1121 CB LEU A 79 13.443 0.209 4.066 1.00 0.00 C ATOM 1122 CG LEU A 79 11.932 0.358 3.878 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.298 -0.991 3.576 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.300 0.981 5.113 1.00 0.00 C ATOM 0 H LEU A 79 14.604 1.362 2.052 1.00 0.00 H new ATOM 0 HA LEU A 79 13.667 2.253 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.836 -0.403 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.626 -0.334 4.993 1.00 0.00 H new ATOM 0 HG LEU A 79 11.753 1.020 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.223 -0.867 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.730 -1.400 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.486 -1.675 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.225 1.079 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.488 0.345 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.734 1.966 5.286 1.00 0.00 H new ATOM 1136 N ASN A 80 15.603 1.398 6.099 1.00 0.00 N ATOM 1137 CA ASN A 80 16.830 1.204 6.860 1.00 0.00 C ATOM 1138 C ASN A 80 16.869 -0.196 7.474 1.00 0.00 C ATOM 1139 O ASN A 80 16.128 -0.488 8.413 1.00 0.00 O ATOM 1140 CB ASN A 80 16.943 2.259 7.961 1.00 0.00 C ATOM 1141 CG ASN A 80 17.509 3.570 7.450 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.721 3.716 7.290 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.631 4.532 7.192 1.00 0.00 N ATOM 0 H ASN A 80 14.784 1.610 6.669 1.00 0.00 H new ATOM 0 HA ASN A 80 17.674 1.309 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.958 2.436 8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.579 1.879 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.952 5.436 6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.635 4.367 7.339 1.00 0.00 H new ATOM 1150 N PRO A 81 17.734 -1.084 6.951 1.00 0.00 N ATOM 1151 CA PRO A 81 17.858 -2.455 7.455 1.00 0.00 C ATOM 1152 C PRO A 81 18.616 -2.524 8.775 1.00 0.00 C ATOM 1153 O PRO A 81 19.248 -1.553 9.192 1.00 0.00 O ATOM 1154 CB PRO A 81 18.646 -3.158 6.351 1.00 0.00 C ATOM 1155 CG PRO A 81 19.484 -2.082 5.756 1.00 0.00 C ATOM 1156 CD PRO A 81 18.657 -0.826 5.829 1.00 0.00 C ATOM 0 HA PRO A 81 16.887 -2.904 7.664 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.260 -3.964 6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.982 -3.602 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.419 -1.967 6.305 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.747 -2.317 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.276 0.052 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.118 -0.646 4.899 1.00 0.00 H new ATOM 1164 N MET A 82 18.552 -3.680 9.425 1.00 0.00 N ATOM 1165 CA MET A 82 19.235 -3.883 10.697 1.00 0.00 C ATOM 1166 C MET A 82 20.720 -4.165 10.481 1.00 0.00 C ATOM 1167 O MET A 82 21.533 -3.986 11.388 1.00 0.00 O ATOM 1168 CB MET A 82 18.592 -5.039 11.466 1.00 0.00 C ATOM 1169 CG MET A 82 18.588 -6.351 10.698 1.00 0.00 C ATOM 1170 SD MET A 82 18.845 -7.781 11.766 1.00 0.00 S ATOM 1171 CE MET A 82 19.352 -9.011 10.567 1.00 0.00 C ATOM 0 H MET A 82 18.033 -4.492 9.091 1.00 0.00 H new ATOM 0 HA MET A 82 19.139 -2.968 11.281 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.124 -5.180 12.407 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.566 -4.771 11.717 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.638 -6.459 10.175 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.369 -6.325 9.938 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.174 -10.008 10.971 1.00 0.00 H new ATOM 0 HE2 MET A 82 18.778 -8.883 9.649 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.414 -8.892 10.350 1.00 0.00 H new ATOM 1181 N ASP A 83 21.068 -4.606 9.275 1.00 0.00 N ATOM 1182 CA ASP A 83 22.455 -4.911 8.944 1.00 0.00 C ATOM 1183 C ASP A 83 23.268 -3.632 8.783 1.00 0.00 C ATOM 1184 O ASP A 83 24.401 -3.540 9.256 1.00 0.00 O ATOM 1185 CB ASP A 83 22.524 -5.739 7.659 1.00 0.00 C ATOM 1186 CG ASP A 83 22.076 -7.172 7.868 1.00 0.00 C ATOM 1187 OD1 ASP A 83 22.226 -7.682 8.998 1.00 0.00 O ATOM 1188 OD2 ASP A 83 21.574 -7.784 6.902 1.00 0.00 O ATOM 0 H ASP A 83 20.409 -4.760 8.512 1.00 0.00 H new ATOM 0 HA ASP A 83 22.880 -5.490 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.899 -5.274 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.546 -5.733 7.281 1.00 0.00 H new ATOM 1193 N GLY A 84 22.682 -2.646 8.112 1.00 0.00 N ATOM 1194 CA GLY A 84 23.367 -1.384 7.901 1.00 0.00 C ATOM 1195 C GLY A 84 23.135 -0.822 6.512 1.00 0.00 C ATOM 1196 O GLY A 84 22.948 -1.572 5.554 1.00 0.00 O ATOM 0 H GLY A 84 21.746 -2.698 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.027 -0.661 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.436 -1.524 8.059 1.00 0.00 H new ATOM 1200 N ASP A 85 23.148 0.503 6.404 1.00 0.00 N ATOM 1201 CA ASP A 85 22.939 1.171 5.124 1.00 0.00 C ATOM 1202 C ASP A 85 21.518 0.935 4.611 1.00 0.00 C ATOM 1203 O ASP A 85 21.099 -0.209 4.435 1.00 0.00 O ATOM 1204 CB ASP A 85 23.954 0.675 4.091 1.00 0.00 C ATOM 1205 CG ASP A 85 24.050 1.594 2.888 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.472 2.756 3.061 1.00 0.00 O ATOM 1207 OD2 ASP A 85 23.703 1.150 1.773 1.00 0.00 O ATOM 0 H ASP A 85 23.301 1.136 7.189 1.00 0.00 H new ATOM 0 HA ASP A 85 23.080 2.241 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.934 0.591 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.673 -0.325 3.760 1.00 0.00 H new ATOM 1212 N PRO A 86 20.755 2.016 4.361 1.00 0.00 N ATOM 1213 CA PRO A 86 19.379 1.909 3.866 1.00 0.00 C ATOM 1214 C PRO A 86 19.322 1.409 2.426 1.00 0.00 C ATOM 1215 O PRO A 86 20.177 1.744 1.607 1.00 0.00 O ATOM 1216 CB PRO A 86 18.855 3.343 3.955 1.00 0.00 C ATOM 1217 CG PRO A 86 20.071 4.197 3.869 1.00 0.00 C ATOM 1218 CD PRO A 86 21.170 3.421 4.539 1.00 0.00 C ATOM 0 HA PRO A 86 18.793 1.192 4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.160 3.561 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.319 3.511 4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.323 4.414 2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.911 5.155 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.138 3.615 4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.261 3.682 5.593 1.00 0.00 H new ATOM 1226 N VAL A 87 18.308 0.604 2.124 1.00 0.00 N ATOM 1227 CA VAL A 87 18.140 0.058 0.783 1.00 0.00 C ATOM 1228 C VAL A 87 16.760 0.391 0.224 1.00 0.00 C ATOM 1229 O VAL A 87 15.768 0.393 0.952 1.00 0.00 O ATOM 1230 CB VAL A 87 18.337 -1.471 0.771 1.00 0.00 C ATOM 1231 CG1 VAL A 87 17.303 -2.154 1.653 1.00 0.00 C ATOM 1232 CG2 VAL A 87 18.273 -2.009 -0.652 1.00 0.00 C ATOM 0 H VAL A 87 17.591 0.316 2.790 1.00 0.00 H new ATOM 0 HA VAL A 87 18.902 0.518 0.154 1.00 0.00 H new ATOM 0 HB VAL A 87 19.325 -1.691 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 87 17.460 -3.232 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.404 -1.794 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.303 -1.925 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.414 -3.090 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.301 -1.775 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 87 19.058 -1.548 -1.251 1.00 0.00 H new ATOM 1242 N GLU A 88 16.706 0.670 -1.074 1.00 0.00 N ATOM 1243 CA GLU A 88 15.447 1.002 -1.730 1.00 0.00 C ATOM 1244 C GLU A 88 14.500 -0.193 -1.723 1.00 0.00 C ATOM 1245 O GLU A 88 14.770 -1.215 -2.354 1.00 0.00 O ATOM 1246 CB GLU A 88 15.702 1.462 -3.168 1.00 0.00 C ATOM 1247 CG GLU A 88 15.515 2.956 -3.371 1.00 0.00 C ATOM 1248 CD GLU A 88 16.538 3.549 -4.320 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.745 3.289 -4.129 1.00 0.00 O ATOM 1250 OE2 GLU A 88 16.133 4.272 -5.254 1.00 0.00 O ATOM 0 H GLU A 88 17.518 0.673 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 88 14.979 1.815 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.718 1.190 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.029 0.926 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.514 3.143 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.583 3.461 -2.407 1.00 0.00 H new ATOM 1257 N ALA A 89 13.390 -0.058 -1.007 1.00 0.00 N ATOM 1258 CA ALA A 89 12.403 -1.126 -0.920 1.00 0.00 C ATOM 1259 C ALA A 89 11.173 -0.803 -1.760 1.00 0.00 C ATOM 1260 O ALA A 89 10.777 0.357 -1.878 1.00 0.00 O ATOM 1261 CB ALA A 89 12.008 -1.363 0.530 1.00 0.00 C ATOM 0 H ALA A 89 13.151 0.781 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 89 12.852 -2.037 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.270 -2.164 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.889 -1.646 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.581 -0.450 0.945 1.00 0.00 H new ATOM 1267 N ASN A 90 10.572 -1.835 -2.342 1.00 0.00 N ATOM 1268 CA ASN A 90 9.386 -1.658 -3.171 1.00 0.00 C ATOM 1269 C ASN A 90 8.371 -2.768 -2.914 1.00 0.00 C ATOM 1270 O ASN A 90 8.677 -3.950 -3.072 1.00 0.00 O ATOM 1271 CB ASN A 90 9.772 -1.623 -4.655 1.00 0.00 C ATOM 1272 CG ASN A 90 10.114 -2.995 -5.209 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.441 -3.499 -6.108 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.164 -3.606 -4.673 1.00 0.00 N ATOM 0 H ASN A 90 10.886 -2.801 -2.255 1.00 0.00 H new ATOM 0 HA ASN A 90 8.925 -0.707 -2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.948 -1.200 -5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.627 -0.960 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.441 -4.530 -5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.694 -3.151 -3.929 1.00 0.00 H new ATOM 1281 N VAL A 91 7.164 -2.380 -2.519 1.00 0.00 N ATOM 1282 CA VAL A 91 6.108 -3.345 -2.242 1.00 0.00 C ATOM 1283 C VAL A 91 4.826 -2.985 -2.985 1.00 0.00 C ATOM 1284 O VAL A 91 4.431 -1.820 -3.036 1.00 0.00 O ATOM 1285 CB VAL A 91 5.809 -3.438 -0.733 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.277 -2.113 -0.205 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.827 -4.565 -0.451 1.00 0.00 C ATOM 0 H VAL A 91 6.893 -1.406 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 91 6.466 -4.314 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 91 6.741 -3.659 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.073 -2.202 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.019 -1.332 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.357 -1.855 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.628 -4.615 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.895 -4.378 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.253 -5.511 -0.786 1.00 0.00 H new ATOM 1297 N ASN A 92 4.179 -3.993 -3.557 1.00 0.00 N ATOM 1298 CA ASN A 92 2.941 -3.788 -4.294 1.00 0.00 C ATOM 1299 C ASN A 92 1.734 -3.966 -3.373 1.00 0.00 C ATOM 1300 O ASN A 92 1.407 -5.082 -2.973 1.00 0.00 O ATOM 1301 CB ASN A 92 2.877 -4.762 -5.480 1.00 0.00 C ATOM 1302 CG ASN A 92 1.460 -5.088 -5.915 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.561 -4.253 -5.826 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.258 -6.312 -6.386 1.00 0.00 N ATOM 0 H ASN A 92 4.493 -4.963 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 92 2.919 -2.769 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.418 -4.333 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.388 -5.686 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.327 -6.593 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.034 -6.972 -6.442 1.00 0.00 H new ATOM 1311 N LEU A 93 1.079 -2.857 -3.040 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.090 -2.888 -2.163 1.00 0.00 C ATOM 1313 C LEU A 93 -1.095 -3.940 -2.624 1.00 0.00 C ATOM 1314 O LEU A 93 -1.703 -4.632 -1.809 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.759 -1.513 -2.123 1.00 0.00 C ATOM 1316 CG LEU A 93 0.148 -0.363 -1.683 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.511 0.975 -1.973 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.484 -0.486 -0.205 1.00 0.00 C ATOM 0 H LEU A 93 1.337 -1.925 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 93 0.249 -3.152 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.150 -1.287 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.613 -1.561 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 93 1.076 -0.418 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.148 1.782 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.700 1.063 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.454 1.041 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.130 0.340 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.435 -0.456 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.998 -1.430 -0.026 1.00 0.00 H new ATOM 1330 N SER A 94 -1.256 -4.058 -3.938 1.00 0.00 N ATOM 1331 CA SER A 94 -2.181 -5.028 -4.515 1.00 0.00 C ATOM 1332 C SER A 94 -1.816 -6.457 -4.110 1.00 0.00 C ATOM 1333 O SER A 94 -2.603 -7.383 -4.295 1.00 0.00 O ATOM 1334 CB SER A 94 -2.199 -4.901 -6.041 1.00 0.00 C ATOM 1335 OG SER A 94 -1.242 -5.758 -6.641 1.00 0.00 O ATOM 0 H SER A 94 -0.757 -3.493 -4.625 1.00 0.00 H new ATOM 0 HA SER A 94 -3.176 -4.812 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.193 -5.143 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.994 -3.869 -6.325 1.00 0.00 H new ATOM 0 HG SER A 94 -1.558 -6.032 -7.527 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.616 -6.636 -3.566 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.160 -7.956 -3.148 1.00 0.00 C ATOM 1343 C GLU A 95 -1.064 -8.538 -2.066 1.00 0.00 C ATOM 1344 O GLU A 95 -1.456 -9.703 -2.134 1.00 0.00 O ATOM 1345 CB GLU A 95 1.276 -7.884 -2.630 1.00 0.00 C ATOM 1346 CG GLU A 95 2.317 -7.757 -3.731 1.00 0.00 C ATOM 1347 CD GLU A 95 3.411 -8.801 -3.623 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.133 -9.985 -3.907 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.547 -8.434 -3.253 1.00 0.00 O ATOM 0 H GLU A 95 0.056 -5.886 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.199 -8.610 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.367 -7.032 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.487 -8.779 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.828 -7.848 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.763 -6.763 -3.691 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.382 -7.727 -1.061 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.227 -8.177 0.040 1.00 0.00 C ATOM 1358 C ARG A 96 -3.212 -7.093 0.469 1.00 0.00 C ATOM 1359 O ARG A 96 -3.481 -6.927 1.659 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.360 -8.582 1.234 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.423 -9.743 0.945 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.975 -11.048 1.492 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.527 -11.299 2.860 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.836 -12.393 3.552 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.591 -13.340 3.008 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.387 -12.543 4.791 1.00 0.00 N ATOM 0 H ARG A 96 -1.069 -6.759 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.798 -9.037 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.771 -7.722 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.009 -8.850 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.272 -9.832 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.553 -9.544 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.064 -11.020 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.662 -11.872 0.851 1.00 0.00 H new ATOM 0 HE ARG A 96 0.057 -10.595 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.937 -13.231 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.825 -14.176 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.195 -11.820 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.624 -13.381 5.321 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.755 -6.361 -0.497 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.713 -5.306 -0.195 1.00 0.00 C ATOM 1382 C ILE A 97 -6.006 -5.516 -0.973 1.00 0.00 C ATOM 1383 O ILE A 97 -6.010 -5.495 -2.200 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.126 -3.915 -0.520 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.946 -3.614 0.407 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.191 -2.832 -0.396 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.342 -3.453 1.859 1.00 0.00 C ATOM 0 H ILE A 97 -3.550 -6.478 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.930 -5.350 0.872 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.772 -3.923 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.216 -4.419 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.453 -2.702 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.752 -1.862 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.004 -3.040 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.579 -2.819 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.455 -3.242 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.049 -2.629 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.807 -4.373 2.213 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.103 -5.714 -0.252 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.382 -5.929 -0.903 1.00 0.00 C ATOM 1401 C GLY A 98 -9.406 -4.867 -0.554 1.00 0.00 C ATOM 1402 O GLY A 98 -9.104 -3.912 0.162 1.00 0.00 O ATOM 0 H GLY A 98 -7.131 -5.730 0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.236 -5.945 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.769 -6.907 -0.619 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.624 -5.039 -1.060 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.704 -4.095 -0.800 1.00 0.00 C ATOM 1408 C ASN A 99 -12.993 -4.833 -0.451 1.00 0.00 C ATOM 1409 O ASN A 99 -13.661 -5.382 -1.327 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.930 -3.198 -2.017 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.152 -3.993 -3.288 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.335 -4.837 -3.657 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.262 -3.727 -3.966 1.00 0.00 N ATOM 0 H ASN A 99 -10.887 -5.826 -1.654 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.417 -3.475 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.793 -2.557 -1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.068 -2.543 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.465 -4.230 -4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.912 -3.019 -3.623 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.336 -4.843 0.833 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.544 -5.517 1.295 1.00 0.00 C ATOM 1422 C ASP A 100 -15.720 -4.548 1.358 1.00 0.00 C ATOM 1423 O ASP A 100 -15.702 -3.583 2.122 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.310 -6.142 2.672 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.467 -7.016 3.115 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.547 -6.465 3.413 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.292 -8.252 3.163 1.00 0.00 O ATOM 0 H ASP A 100 -12.795 -4.393 1.571 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.784 -6.305 0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.397 -6.737 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.155 -5.351 3.405 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.743 -4.813 0.550 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.931 -3.966 0.513 1.00 0.00 C ATOM 1434 C CYS A 101 -17.557 -2.509 0.259 1.00 0.00 C ATOM 1435 O CYS A 101 -18.232 -1.594 0.729 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.707 -4.084 1.826 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.473 -3.724 1.674 1.00 0.00 S ATOM 0 H CYS A 101 -16.773 -5.608 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.562 -4.307 -0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.585 -5.094 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.270 -3.403 2.557 1.00 0.00 H new ATOM 0 HG CYS A 101 -21.043 -3.852 2.835 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.476 -2.302 -0.486 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.031 -0.955 -0.786 1.00 0.00 C ATOM 1445 C GLY A 102 -15.011 -0.440 0.213 1.00 0.00 C ATOM 1446 O GLY A 102 -14.322 0.546 -0.048 1.00 0.00 O ATOM 0 H GLY A 102 -15.901 -3.043 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.597 -0.934 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.892 -0.286 -0.798 1.00 0.00 H new ATOM 1450 N THR A 103 -14.915 -1.106 1.361 1.00 0.00 N ATOM 1451 CA THR A 103 -13.973 -0.707 2.399 1.00 0.00 C ATOM 1452 C THR A 103 -12.605 -1.338 2.162 1.00 0.00 C ATOM 1453 O THR A 103 -12.506 -2.470 1.689 1.00 0.00 O ATOM 1454 CB THR A 103 -14.501 -1.108 3.777 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.828 -0.647 3.959 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.667 -0.568 4.918 1.00 0.00 C ATOM 0 H THR A 103 -15.478 -1.924 1.594 1.00 0.00 H new ATOM 0 HA THR A 103 -13.865 0.377 2.361 1.00 0.00 H new ATOM 0 HB THR A 103 -14.455 -2.197 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.149 -0.915 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.097 -0.889 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.648 -0.946 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.655 0.521 4.876 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.552 -0.598 2.495 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.189 -1.086 2.317 1.00 0.00 C ATOM 1466 C LEU A 104 -9.855 -2.156 3.352 1.00 0.00 C ATOM 1467 O LEU A 104 -10.041 -1.953 4.552 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.194 0.074 2.418 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.518 0.464 1.102 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.622 -0.660 0.608 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.560 0.818 0.052 1.00 0.00 C ATOM 0 H LEU A 104 -11.616 0.341 2.889 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.114 -1.533 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.715 0.946 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.422 -0.191 3.141 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.898 1.343 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.150 -0.364 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.853 -0.866 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.220 -1.557 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.061 1.093 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.206 -0.042 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.160 1.657 0.404 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.360 -3.295 2.879 1.00 0.00 N ATOM 1484 CA ILE A 105 -9.000 -4.397 3.763 1.00 0.00 C ATOM 1485 C ILE A 105 -7.619 -4.945 3.421 1.00 0.00 C ATOM 1486 O ILE A 105 -7.001 -4.530 2.441 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.029 -5.542 3.685 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.117 -6.086 2.258 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.392 -5.061 4.158 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.298 -7.587 2.193 1.00 0.00 C ATOM 0 H ILE A 105 -9.199 -3.479 1.889 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.990 -3.998 4.777 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.701 -6.349 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.950 -5.605 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.210 -5.814 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.108 -5.880 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.319 -4.719 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.727 -4.239 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.352 -7.902 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.453 -8.077 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.219 -7.865 2.705 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.140 -5.878 4.236 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.833 -6.482 4.023 1.00 0.00 C ATOM 1504 C PHE A 106 -5.949 -8.003 3.942 1.00 0.00 C ATOM 1505 O PHE A 106 -6.689 -8.621 4.707 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.875 -6.072 5.146 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.730 -7.023 5.347 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.870 -8.120 6.178 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.521 -6.820 4.704 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.823 -9.001 6.367 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.469 -7.697 4.888 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.620 -8.789 5.721 1.00 0.00 C ATOM 0 H PHE A 106 -7.640 -6.232 5.052 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.433 -6.123 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.477 -5.081 4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.436 -5.992 6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.809 -8.290 6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.399 -5.968 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.944 -9.854 7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.530 -7.529 4.381 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.799 -9.476 5.867 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.212 -8.597 3.010 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.231 -10.043 2.826 1.00 0.00 C ATOM 1524 C LEU A 107 -4.601 -10.750 4.022 1.00 0.00 C ATOM 1525 O LEU A 107 -3.380 -10.763 4.176 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.482 -10.419 1.547 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.349 -10.514 0.290 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -5.923 -9.151 -0.067 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.541 -11.077 -0.871 1.00 0.00 C ATOM 0 H LEU A 107 -4.594 -8.099 2.370 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.269 -10.363 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.698 -9.682 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.989 -11.378 1.702 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.179 -11.192 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.537 -9.238 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.535 -8.787 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.109 -8.450 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.172 -11.138 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.692 -10.424 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.179 -12.073 -0.614 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.444 -11.337 4.866 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.972 -12.046 6.049 1.00 0.00 C ATOM 1543 C ALA A 108 -5.448 -13.495 6.047 1.00 0.00 C ATOM 1544 O ALA A 108 -6.673 -13.714 5.942 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.440 -11.337 7.311 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.592 -14.399 6.149 1.00 0.00 O ATOM 0 H ALA A 108 -6.458 -11.335 4.752 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.882 -12.049 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.080 -11.877 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.046 -10.321 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.529 -11.304 7.327 1.00 0.00 H new