USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 571 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 36 MET CE :methyl -122:sc= -1.36 (180deg=-5.56!) USER MOD Set 1.2: A 72 MET CE :methyl -122:sc= -7.76! (180deg=-6.78!) USER MOD Set 2.1: A 29 SER OG : rot 53:sc= -2.61! USER MOD Set 2.2: A 52 MET CE :methyl -154:sc= -2.1 (180deg=-2.42) USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 60 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.88) USER MOD Set 4.1: A 5 THR OG1 : rot 83:sc= 0.177 USER MOD Set 4.2: A 8 GLN : amide:sc= 0.134 X(o=0.31,f=-0.18) USER MOD Set 5.1: A 3 ASN : amide:sc= -0.0941 K(o=-0.094,f=-1.7!) USER MOD Set 5.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc=-0.00961 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0842 K(o=-0.084,f=-1.5!) USER MOD Single : A 24 ASN : amide:sc=-0.00156 K(o=-0.0016,f=-1.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 52:sc= 0.347 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0466 K(o=-0.047,f=-1.6!) USER MOD Single : A 61 HIS : no HE2:sc= -15.9! C(o=-16!,f=-18!) USER MOD Single : A 62 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.65) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.234 -1.760 -11.197 1.00 0.00 N ATOM 2 CA SER A 1 -14.897 -0.791 -12.115 1.00 0.00 C ATOM 3 C SER A 1 -14.383 -0.979 -13.544 1.00 0.00 C ATOM 4 O SER A 1 -13.606 -0.188 -14.044 1.00 0.00 O ATOM 5 CB SER A 1 -14.508 0.588 -11.582 1.00 0.00 C ATOM 6 OG SER A 1 -15.676 1.391 -11.460 1.00 0.00 O ATOM 0 H1 SER A 1 -14.591 -1.622 -10.230 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.442 -2.730 -11.508 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.206 -1.604 -11.212 1.00 0.00 H new ATOM 0 HA SER A 1 -15.978 -0.926 -12.147 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.016 0.491 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.795 1.063 -12.256 1.00 0.00 H new ATOM 0 HG SER A 1 -15.431 2.276 -11.117 1.00 0.00 H new ATOM 14 N SER A 2 -14.810 -2.019 -14.206 1.00 0.00 N ATOM 15 CA SER A 2 -14.345 -2.257 -15.602 1.00 0.00 C ATOM 16 C SER A 2 -12.828 -2.467 -15.626 1.00 0.00 C ATOM 17 O SER A 2 -12.197 -2.617 -14.600 1.00 0.00 O ATOM 18 CB SER A 2 -14.722 -0.988 -16.366 1.00 0.00 C ATOM 19 OG SER A 2 -16.043 -0.604 -16.014 1.00 0.00 O ATOM 0 H SER A 2 -15.461 -2.714 -13.841 1.00 0.00 H new ATOM 0 HA SER A 2 -14.796 -3.147 -16.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.023 -0.186 -16.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.656 -1.163 -17.440 1.00 0.00 H new ATOM 0 HG SER A 2 -16.288 0.211 -16.501 1.00 0.00 H new ATOM 25 N ASN A 3 -12.239 -2.479 -16.791 1.00 0.00 N ATOM 26 CA ASN A 3 -10.765 -2.681 -16.878 1.00 0.00 C ATOM 27 C ASN A 3 -10.359 -3.958 -16.137 1.00 0.00 C ATOM 28 O ASN A 3 -10.276 -5.023 -16.716 1.00 0.00 O ATOM 29 CB ASN A 3 -10.156 -1.453 -16.201 1.00 0.00 C ATOM 30 CG ASN A 3 -10.145 -0.281 -17.184 1.00 0.00 C ATOM 31 OD1 ASN A 3 -10.041 -0.475 -18.380 1.00 0.00 O ATOM 32 ND2 ASN A 3 -10.248 0.939 -16.729 1.00 0.00 N ATOM 0 H ASN A 3 -12.714 -2.358 -17.685 1.00 0.00 H new ATOM 0 HA ASN A 3 -10.425 -2.791 -17.908 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.731 -1.191 -15.313 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.141 -1.673 -15.870 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.241 1.727 -17.377 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.335 1.104 -15.726 1.00 0.00 H new ATOM 39 N LEU A 4 -10.107 -3.859 -14.861 1.00 0.00 N ATOM 40 CA LEU A 4 -9.709 -5.068 -14.084 1.00 0.00 C ATOM 41 C LEU A 4 -10.861 -6.076 -14.044 1.00 0.00 C ATOM 42 O LEU A 4 -11.988 -5.758 -14.367 1.00 0.00 O ATOM 43 CB LEU A 4 -9.400 -4.551 -12.678 1.00 0.00 C ATOM 44 CG LEU A 4 -8.034 -5.073 -12.231 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.930 -4.345 -13.001 1.00 0.00 C ATOM 46 CD2 LEU A 4 -7.859 -4.821 -10.732 1.00 0.00 C ATOM 0 H LEU A 4 -10.159 -2.994 -14.323 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.855 -5.580 -14.527 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.405 -3.461 -12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.172 -4.878 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.971 -6.143 -12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.957 -4.718 -12.681 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.054 -4.523 -14.069 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.992 -3.275 -12.801 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.886 -5.193 -10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.922 -3.751 -10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.644 -5.339 -10.182 1.00 0.00 H new ATOM 58 N THR A 5 -10.586 -7.289 -13.648 1.00 0.00 N ATOM 59 CA THR A 5 -11.665 -8.316 -13.587 1.00 0.00 C ATOM 60 C THR A 5 -11.563 -9.111 -12.282 1.00 0.00 C ATOM 61 O THR A 5 -10.897 -8.708 -11.349 1.00 0.00 O ATOM 62 CB THR A 5 -11.415 -9.226 -14.791 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.671 -8.516 -15.771 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.753 -9.669 -15.383 1.00 0.00 C ATOM 0 H THR A 5 -9.661 -7.613 -13.364 1.00 0.00 H new ATOM 0 HA THR A 5 -12.660 -7.872 -13.612 1.00 0.00 H new ATOM 0 HB THR A 5 -10.853 -10.105 -14.474 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.718 -8.552 -15.547 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.574 -10.317 -16.241 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.322 -10.213 -14.629 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.318 -8.793 -15.702 1.00 0.00 H new ATOM 72 N GLU A 6 -12.219 -10.236 -12.209 1.00 0.00 N ATOM 73 CA GLU A 6 -12.158 -11.054 -10.964 1.00 0.00 C ATOM 74 C GLU A 6 -10.745 -11.607 -10.761 1.00 0.00 C ATOM 75 O GLU A 6 -10.045 -11.226 -9.844 1.00 0.00 O ATOM 76 CB GLU A 6 -13.153 -12.194 -11.190 1.00 0.00 C ATOM 77 CG GLU A 6 -14.580 -11.661 -11.054 1.00 0.00 C ATOM 78 CD GLU A 6 -14.914 -11.467 -9.574 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.016 -11.613 -8.761 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.061 -11.175 -9.279 1.00 0.00 O ATOM 0 H GLU A 6 -12.794 -10.624 -12.956 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.400 -10.471 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.008 -12.626 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.980 -12.990 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.678 -10.715 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.284 -12.358 -11.508 1.00 0.00 H new ATOM 87 N GLU A 7 -10.321 -12.503 -11.610 1.00 0.00 N ATOM 88 CA GLU A 7 -8.953 -13.079 -11.464 1.00 0.00 C ATOM 89 C GLU A 7 -7.917 -11.958 -11.334 1.00 0.00 C ATOM 90 O GLU A 7 -6.995 -12.042 -10.548 1.00 0.00 O ATOM 91 CB GLU A 7 -8.720 -13.878 -12.747 1.00 0.00 C ATOM 92 CG GLU A 7 -8.715 -15.373 -12.423 1.00 0.00 C ATOM 93 CD GLU A 7 -10.154 -15.869 -12.270 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.818 -16.021 -13.282 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.567 -16.086 -11.143 1.00 0.00 O ATOM 0 H GLU A 7 -10.861 -12.861 -12.397 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.860 -13.701 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.501 -13.655 -13.474 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.771 -13.590 -13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.211 -15.926 -13.216 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.157 -15.555 -11.504 1.00 0.00 H new ATOM 102 N GLN A 8 -8.063 -10.910 -12.097 1.00 0.00 N ATOM 103 CA GLN A 8 -7.085 -9.788 -12.013 1.00 0.00 C ATOM 104 C GLN A 8 -6.978 -9.294 -10.568 1.00 0.00 C ATOM 105 O GLN A 8 -5.957 -9.437 -9.926 1.00 0.00 O ATOM 106 CB GLN A 8 -7.657 -8.693 -12.912 1.00 0.00 C ATOM 107 CG GLN A 8 -6.514 -7.966 -13.624 1.00 0.00 C ATOM 108 CD GLN A 8 -6.588 -8.243 -15.126 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.616 -8.040 -15.743 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.535 -8.700 -15.746 1.00 0.00 N ATOM 0 H GLN A 8 -8.815 -10.782 -12.774 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.084 -10.087 -12.325 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.337 -9.128 -13.644 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.237 -7.987 -12.318 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.579 -6.894 -13.438 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.555 -8.300 -13.229 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.673 -8.870 -15.229 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.574 -8.887 -16.748 1.00 0.00 H new ATOM 119 N ILE A 9 -8.028 -8.716 -10.049 1.00 0.00 N ATOM 120 CA ILE A 9 -7.986 -8.218 -8.645 1.00 0.00 C ATOM 121 C ILE A 9 -7.348 -9.270 -7.735 1.00 0.00 C ATOM 122 O ILE A 9 -6.629 -8.953 -6.809 1.00 0.00 O ATOM 123 CB ILE A 9 -9.447 -7.993 -8.259 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.044 -6.898 -9.148 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.528 -7.559 -6.795 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.505 -6.664 -8.758 1.00 0.00 C ATOM 0 H ILE A 9 -8.912 -8.568 -10.536 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.395 -7.307 -8.546 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.006 -8.919 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.475 -5.975 -9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.979 -7.190 -10.196 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.571 -7.399 -6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.101 -8.336 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.970 -6.632 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.930 -5.885 -9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.069 -7.587 -8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.558 -6.353 -7.715 1.00 0.00 H new ATOM 138 N ALA A 10 -7.607 -10.522 -7.996 1.00 0.00 N ATOM 139 CA ALA A 10 -7.017 -11.599 -7.150 1.00 0.00 C ATOM 140 C ALA A 10 -5.490 -11.486 -7.142 1.00 0.00 C ATOM 141 O ALA A 10 -4.880 -11.252 -6.116 1.00 0.00 O ATOM 142 CB ALA A 10 -7.456 -12.906 -7.811 1.00 0.00 C ATOM 0 H ALA A 10 -8.202 -10.846 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.345 -11.538 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.061 -13.750 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.545 -12.958 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.076 -12.943 -8.832 1.00 0.00 H new ATOM 148 N GLU A 11 -4.867 -11.650 -8.277 1.00 0.00 N ATOM 149 CA GLU A 11 -3.381 -11.551 -8.333 1.00 0.00 C ATOM 150 C GLU A 11 -2.915 -10.251 -7.672 1.00 0.00 C ATOM 151 O GLU A 11 -1.837 -10.177 -7.117 1.00 0.00 O ATOM 152 CB GLU A 11 -3.040 -11.547 -9.823 1.00 0.00 C ATOM 153 CG GLU A 11 -2.870 -12.987 -10.312 1.00 0.00 C ATOM 154 CD GLU A 11 -2.577 -12.985 -11.814 1.00 0.00 C ATOM 155 OE1 GLU A 11 -3.226 -12.235 -12.523 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.706 -13.734 -12.228 1.00 0.00 O ATOM 0 H GLU A 11 -5.323 -11.848 -9.168 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.891 -12.370 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.831 -11.051 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.124 -10.983 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.056 -13.472 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.774 -13.561 -10.108 1.00 0.00 H new ATOM 163 N PHE A 12 -3.722 -9.225 -7.725 1.00 0.00 N ATOM 164 CA PHE A 12 -3.325 -7.932 -7.098 1.00 0.00 C ATOM 165 C PHE A 12 -3.303 -8.073 -5.574 1.00 0.00 C ATOM 166 O PHE A 12 -2.374 -7.649 -4.915 1.00 0.00 O ATOM 167 CB PHE A 12 -4.401 -6.935 -7.528 1.00 0.00 C ATOM 168 CG PHE A 12 -4.121 -6.467 -8.936 1.00 0.00 C ATOM 169 CD1 PHE A 12 -4.002 -7.400 -9.974 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.982 -5.100 -9.204 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.744 -6.965 -11.279 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.724 -4.665 -10.510 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.605 -5.598 -11.547 1.00 0.00 C ATOM 0 H PHE A 12 -4.637 -9.227 -8.175 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.329 -7.612 -7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.385 -7.401 -7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.416 -6.084 -6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.109 -8.455 -9.767 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.074 -4.381 -8.404 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.652 -7.684 -12.080 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.617 -3.610 -10.717 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.406 -5.263 -12.554 1.00 0.00 H new ATOM 183 N LYS A 13 -4.317 -8.671 -5.009 1.00 0.00 N ATOM 184 CA LYS A 13 -4.349 -8.840 -3.528 1.00 0.00 C ATOM 185 C LYS A 13 -3.098 -9.589 -3.062 1.00 0.00 C ATOM 186 O LYS A 13 -2.381 -9.136 -2.191 1.00 0.00 O ATOM 187 CB LYS A 13 -5.606 -9.666 -3.249 1.00 0.00 C ATOM 188 CG LYS A 13 -5.660 -10.027 -1.764 1.00 0.00 C ATOM 189 CD LYS A 13 -7.120 -10.121 -1.314 1.00 0.00 C ATOM 190 CE LYS A 13 -7.353 -9.173 -0.135 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.709 -8.601 -0.365 1.00 0.00 N ATOM 0 H LYS A 13 -5.123 -9.049 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.367 -7.886 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.495 -9.101 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.600 -10.572 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.153 -10.976 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.135 -9.274 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.783 -9.862 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.357 -11.145 -1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.305 -9.705 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.595 -8.391 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.942 -7.940 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.723 -8.095 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.411 -9.368 -0.385 1.00 0.00 H new ATOM 205 N GLU A 14 -2.829 -10.728 -3.637 1.00 0.00 N ATOM 206 CA GLU A 14 -1.621 -11.500 -3.228 1.00 0.00 C ATOM 207 C GLU A 14 -0.386 -10.598 -3.284 1.00 0.00 C ATOM 208 O GLU A 14 0.445 -10.610 -2.398 1.00 0.00 O ATOM 209 CB GLU A 14 -1.508 -12.632 -4.249 1.00 0.00 C ATOM 210 CG GLU A 14 -1.479 -13.977 -3.519 1.00 0.00 C ATOM 211 CD GLU A 14 -0.731 -15.004 -4.370 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.080 -14.592 -5.184 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.980 -16.185 -4.194 1.00 0.00 O ATOM 0 H GLU A 14 -3.392 -11.158 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.694 -11.882 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.351 -12.599 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.603 -12.510 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.991 -13.867 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.495 -14.320 -3.326 1.00 0.00 H new ATOM 220 N ALA A 15 -0.262 -9.814 -4.320 1.00 0.00 N ATOM 221 CA ALA A 15 0.915 -8.907 -4.434 1.00 0.00 C ATOM 222 C ALA A 15 0.863 -7.843 -3.335 1.00 0.00 C ATOM 223 O ALA A 15 1.635 -7.866 -2.397 1.00 0.00 O ATOM 224 CB ALA A 15 0.782 -8.260 -5.812 1.00 0.00 C ATOM 0 H ALA A 15 -0.926 -9.762 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 15 1.861 -9.437 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.614 -7.575 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.794 -9.034 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.157 -7.709 -5.866 1.00 0.00 H new ATOM 230 N PHE A 16 -0.044 -6.911 -3.443 1.00 0.00 N ATOM 231 CA PHE A 16 -0.155 -5.843 -2.409 1.00 0.00 C ATOM 232 C PHE A 16 0.021 -6.437 -1.007 1.00 0.00 C ATOM 233 O PHE A 16 0.819 -5.969 -0.220 1.00 0.00 O ATOM 234 CB PHE A 16 -1.566 -5.284 -2.580 1.00 0.00 C ATOM 235 CG PHE A 16 -1.755 -4.094 -1.671 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.340 -2.823 -2.085 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.350 -4.262 -0.415 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.520 -1.719 -1.243 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.529 -3.159 0.428 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.114 -1.887 0.014 1.00 0.00 C ATOM 0 H PHE A 16 -0.716 -6.843 -4.207 1.00 0.00 H new ATOM 0 HA PHE A 16 0.610 -5.075 -2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.728 -4.991 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.303 -6.053 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.881 -2.694 -3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.671 -5.243 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.201 -0.738 -1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.987 -3.289 1.397 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.252 -1.036 0.664 1.00 0.00 H new ATOM 250 N ALA A 17 -0.724 -7.460 -0.689 1.00 0.00 N ATOM 251 CA ALA A 17 -0.604 -8.080 0.663 1.00 0.00 C ATOM 252 C ALA A 17 0.781 -8.707 0.846 1.00 0.00 C ATOM 253 O ALA A 17 1.340 -8.691 1.925 1.00 0.00 O ATOM 254 CB ALA A 17 -1.688 -9.157 0.699 1.00 0.00 C ATOM 0 H ALA A 17 -1.411 -7.894 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.724 -7.348 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.667 -9.663 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.665 -8.695 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.507 -9.882 -0.094 1.00 0.00 H new ATOM 260 N LEU A 18 1.338 -9.261 -0.195 1.00 0.00 N ATOM 261 CA LEU A 18 2.685 -9.891 -0.071 1.00 0.00 C ATOM 262 C LEU A 18 3.630 -8.979 0.718 1.00 0.00 C ATOM 263 O LEU A 18 4.563 -9.434 1.348 1.00 0.00 O ATOM 264 CB LEU A 18 3.180 -10.062 -1.507 1.00 0.00 C ATOM 265 CG LEU A 18 3.618 -11.511 -1.727 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.670 -11.808 -3.226 1.00 0.00 C ATOM 267 CD2 LEU A 18 5.007 -11.720 -1.119 1.00 0.00 C ATOM 0 H LEU A 18 0.921 -9.305 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 18 2.645 -10.841 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.389 -9.800 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.013 -9.386 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 18 2.905 -12.182 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.982 -12.841 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.682 -11.658 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.383 -11.137 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.321 -12.752 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.719 -11.048 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.972 -11.509 -0.050 1.00 0.00 H new ATOM 279 N PHE A 19 3.397 -7.694 0.691 1.00 0.00 N ATOM 280 CA PHE A 19 4.287 -6.762 1.442 1.00 0.00 C ATOM 281 C PHE A 19 3.506 -6.078 2.568 1.00 0.00 C ATOM 282 O PHE A 19 4.053 -5.317 3.342 1.00 0.00 O ATOM 283 CB PHE A 19 4.751 -5.732 0.410 1.00 0.00 C ATOM 284 CG PHE A 19 5.183 -6.441 -0.851 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.223 -6.878 -1.771 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.542 -6.660 -1.102 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.621 -7.533 -2.942 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.941 -7.317 -2.273 1.00 0.00 C ATOM 289 CZ PHE A 19 5.981 -7.753 -3.192 1.00 0.00 C ATOM 0 H PHE A 19 2.632 -7.251 0.183 1.00 0.00 H new ATOM 0 HA PHE A 19 5.127 -7.280 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.944 -5.034 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.578 -5.146 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.174 -6.710 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.283 -6.322 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.880 -7.868 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.990 -7.487 -2.466 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.289 -8.260 -4.095 1.00 0.00 H new ATOM 299 N ASP A 20 2.232 -6.341 2.666 1.00 0.00 N ATOM 300 CA ASP A 20 1.419 -5.705 3.742 1.00 0.00 C ATOM 301 C ASP A 20 1.810 -6.276 5.108 1.00 0.00 C ATOM 302 O ASP A 20 1.333 -7.316 5.516 1.00 0.00 O ATOM 303 CB ASP A 20 -0.028 -6.059 3.407 1.00 0.00 C ATOM 304 CG ASP A 20 -0.918 -5.777 4.620 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.620 -4.839 5.342 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.880 -6.503 4.806 1.00 0.00 O ATOM 0 H ASP A 20 1.718 -6.969 2.048 1.00 0.00 H new ATOM 0 HA ASP A 20 1.573 -4.627 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.367 -5.476 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.101 -7.110 3.126 1.00 0.00 H new ATOM 311 N LYS A 21 2.675 -5.603 5.818 1.00 0.00 N ATOM 312 CA LYS A 21 3.095 -6.108 7.156 1.00 0.00 C ATOM 313 C LYS A 21 1.937 -5.992 8.151 1.00 0.00 C ATOM 314 O LYS A 21 1.834 -6.757 9.090 1.00 0.00 O ATOM 315 CB LYS A 21 4.255 -5.204 7.575 1.00 0.00 C ATOM 316 CG LYS A 21 5.367 -5.282 6.526 1.00 0.00 C ATOM 317 CD LYS A 21 6.672 -5.718 7.197 1.00 0.00 C ATOM 318 CE LYS A 21 7.722 -6.016 6.125 1.00 0.00 C ATOM 319 NZ LYS A 21 8.877 -5.139 6.465 1.00 0.00 N ATOM 0 H LYS A 21 3.108 -4.726 5.529 1.00 0.00 H new ATOM 0 HA LYS A 21 3.387 -7.158 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.909 -4.175 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.637 -5.512 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.094 -5.990 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.498 -4.312 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.030 -4.934 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.500 -6.603 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.008 -7.068 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.341 -5.798 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.640 -5.286 5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.576 -4.144 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.223 -5.374 7.417 1.00 0.00 H new ATOM 333 N ASP A 22 1.066 -5.041 7.954 1.00 0.00 N ATOM 334 CA ASP A 22 -0.084 -4.877 8.890 1.00 0.00 C ATOM 335 C ASP A 22 -1.025 -6.081 8.787 1.00 0.00 C ATOM 336 O ASP A 22 -1.845 -6.316 9.652 1.00 0.00 O ATOM 337 CB ASP A 22 -0.792 -3.603 8.428 1.00 0.00 C ATOM 338 CG ASP A 22 0.216 -2.454 8.361 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.137 -2.545 7.565 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.051 -1.503 9.107 1.00 0.00 O ATOM 0 H ASP A 22 1.100 -4.370 7.186 1.00 0.00 H new ATOM 0 HA ASP A 22 0.236 -4.811 9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.245 -3.761 7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.599 -3.353 9.116 1.00 0.00 H new ATOM 345 N ASN A 23 -0.912 -6.846 7.736 1.00 0.00 N ATOM 346 CA ASN A 23 -1.799 -8.034 7.579 1.00 0.00 C ATOM 347 C ASN A 23 -3.268 -7.603 7.595 1.00 0.00 C ATOM 348 O ASN A 23 -4.156 -8.396 7.836 1.00 0.00 O ATOM 349 CB ASN A 23 -1.488 -8.922 8.783 1.00 0.00 C ATOM 350 CG ASN A 23 -0.600 -10.088 8.343 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.049 -10.018 7.319 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.543 -11.164 9.080 1.00 0.00 N ATOM 0 H ASN A 23 -0.244 -6.700 6.979 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.631 -8.553 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.986 -8.341 9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.413 -9.300 9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.047 -11.946 8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.088 -11.223 9.940 1.00 0.00 H new ATOM 359 N ASN A 24 -3.531 -6.350 7.339 1.00 0.00 N ATOM 360 CA ASN A 24 -4.943 -5.869 7.340 1.00 0.00 C ATOM 361 C ASN A 24 -5.355 -5.438 5.930 1.00 0.00 C ATOM 362 O ASN A 24 -6.523 -5.270 5.638 1.00 0.00 O ATOM 363 CB ASN A 24 -4.953 -4.673 8.291 1.00 0.00 C ATOM 364 CG ASN A 24 -4.866 -5.168 9.736 1.00 0.00 C ATOM 365 OD1 ASN A 24 -5.183 -6.305 10.020 1.00 0.00 O ATOM 366 ND2 ASN A 24 -4.445 -4.356 10.666 1.00 0.00 N ATOM 0 H ASN A 24 -2.830 -5.639 7.129 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.643 -6.643 7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.114 -4.013 8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.863 -4.090 8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.382 -4.676 11.632 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.179 -3.401 10.427 1.00 0.00 H new ATOM 373 N GLY A 25 -4.406 -5.259 5.052 1.00 0.00 N ATOM 374 CA GLY A 25 -4.744 -4.839 3.663 1.00 0.00 C ATOM 375 C GLY A 25 -4.186 -3.439 3.402 1.00 0.00 C ATOM 376 O GLY A 25 -4.754 -2.664 2.659 1.00 0.00 O ATOM 0 H GLY A 25 -3.411 -5.386 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.328 -5.547 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.825 -4.843 3.524 1.00 0.00 H new ATOM 380 N SER A 26 -3.077 -3.110 4.005 1.00 0.00 N ATOM 381 CA SER A 26 -2.484 -1.760 3.790 1.00 0.00 C ATOM 382 C SER A 26 -0.958 -1.859 3.715 1.00 0.00 C ATOM 383 O SER A 26 -0.335 -2.573 4.475 1.00 0.00 O ATOM 384 CB SER A 26 -2.911 -0.941 5.006 1.00 0.00 C ATOM 385 OG SER A 26 -2.960 -1.786 6.148 1.00 0.00 O ATOM 0 H SER A 26 -2.556 -3.718 4.637 1.00 0.00 H new ATOM 0 HA SER A 26 -2.818 -1.306 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.209 -0.124 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.888 -0.490 4.831 1.00 0.00 H new ATOM 0 HG SER A 26 -3.232 -1.263 6.931 1.00 0.00 H new ATOM 391 N ILE A 27 -0.351 -1.146 2.806 1.00 0.00 N ATOM 392 CA ILE A 27 1.133 -1.200 2.685 1.00 0.00 C ATOM 393 C ILE A 27 1.706 0.216 2.573 1.00 0.00 C ATOM 394 O ILE A 27 0.995 1.165 2.312 1.00 0.00 O ATOM 395 CB ILE A 27 1.398 -1.986 1.400 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.063 -1.112 0.188 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.523 -3.241 1.378 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.282 -1.911 -1.098 1.00 0.00 C ATOM 0 H ILE A 27 -0.819 -0.529 2.142 1.00 0.00 H new ATOM 0 HA ILE A 27 1.601 -1.666 3.552 1.00 0.00 H new ATOM 0 HB ILE A 27 2.449 -2.274 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.028 -0.774 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.690 -0.221 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.712 -3.801 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.760 -3.865 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.528 -2.953 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.043 -1.287 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.323 -2.227 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.636 -2.789 -1.095 1.00 0.00 H new ATOM 410 N SER A 28 2.988 0.363 2.764 1.00 0.00 N ATOM 411 CA SER A 28 3.603 1.718 2.664 1.00 0.00 C ATOM 412 C SER A 28 3.933 2.033 1.202 1.00 0.00 C ATOM 413 O SER A 28 4.210 1.150 0.415 1.00 0.00 O ATOM 414 CB SER A 28 4.882 1.635 3.496 1.00 0.00 C ATOM 415 OG SER A 28 5.131 2.899 4.098 1.00 0.00 O ATOM 0 H SER A 28 3.635 -0.394 2.984 1.00 0.00 H new ATOM 0 HA SER A 28 2.938 2.505 3.020 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.782 0.867 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.723 1.348 2.865 1.00 0.00 H new ATOM 0 HG SER A 28 5.950 2.850 4.634 1.00 0.00 H new ATOM 421 N SER A 29 3.902 3.283 0.831 1.00 0.00 N ATOM 422 CA SER A 29 4.213 3.647 -0.581 1.00 0.00 C ATOM 423 C SER A 29 5.428 2.856 -1.075 1.00 0.00 C ATOM 424 O SER A 29 5.365 2.159 -2.067 1.00 0.00 O ATOM 425 CB SER A 29 4.522 5.142 -0.548 1.00 0.00 C ATOM 426 OG SER A 29 5.638 5.410 -1.387 1.00 0.00 O ATOM 0 H SER A 29 3.675 4.067 1.443 1.00 0.00 H new ATOM 0 HA SER A 29 3.389 3.418 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.655 5.712 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.736 5.458 0.473 1.00 0.00 H new ATOM 0 HG SER A 29 5.476 5.034 -2.277 1.00 0.00 H new ATOM 432 N SER A 30 6.533 2.960 -0.389 1.00 0.00 N ATOM 433 CA SER A 30 7.749 2.212 -0.821 1.00 0.00 C ATOM 434 C SER A 30 7.380 0.770 -1.179 1.00 0.00 C ATOM 435 O SER A 30 7.971 0.166 -2.051 1.00 0.00 O ATOM 436 CB SER A 30 8.683 2.242 0.387 1.00 0.00 C ATOM 437 OG SER A 30 9.860 1.504 0.088 1.00 0.00 O ATOM 0 H SER A 30 6.647 3.529 0.450 1.00 0.00 H new ATOM 0 HA SER A 30 8.213 2.651 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.939 3.271 0.638 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.184 1.816 1.258 1.00 0.00 H new ATOM 0 HG SER A 30 10.463 1.522 0.861 1.00 0.00 H new ATOM 443 N GLU A 31 6.404 0.216 -0.513 1.00 0.00 N ATOM 444 CA GLU A 31 5.996 -1.185 -0.815 1.00 0.00 C ATOM 445 C GLU A 31 5.087 -1.217 -2.047 1.00 0.00 C ATOM 446 O GLU A 31 5.117 -2.148 -2.828 1.00 0.00 O ATOM 447 CB GLU A 31 5.233 -1.652 0.426 1.00 0.00 C ATOM 448 CG GLU A 31 6.126 -1.503 1.660 1.00 0.00 C ATOM 449 CD GLU A 31 5.413 -2.091 2.879 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.577 -2.959 2.690 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.716 -1.664 3.981 1.00 0.00 O ATOM 0 H GLU A 31 5.872 0.673 0.227 1.00 0.00 H new ATOM 0 HA GLU A 31 6.850 -1.826 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.323 -1.064 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.927 -2.692 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.075 -2.014 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.355 -0.451 1.832 1.00 0.00 H new ATOM 458 N LEU A 32 4.280 -0.208 -2.227 1.00 0.00 N ATOM 459 CA LEU A 32 3.373 -0.182 -3.410 1.00 0.00 C ATOM 460 C LEU A 32 4.186 -0.310 -4.700 1.00 0.00 C ATOM 461 O LEU A 32 3.850 -1.071 -5.584 1.00 0.00 O ATOM 462 CB LEU A 32 2.673 1.175 -3.348 1.00 0.00 C ATOM 463 CG LEU A 32 1.956 1.442 -4.673 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.082 0.238 -5.032 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.077 2.686 -4.535 1.00 0.00 C ATOM 0 H LEU A 32 4.209 0.599 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 32 2.659 -1.006 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.957 1.189 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.400 1.962 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 32 2.694 1.603 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.571 0.428 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.707 -0.649 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.344 0.077 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.566 2.877 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.339 2.525 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.699 3.544 -4.279 1.00 0.00 H new ATOM 477 N ALA A 33 5.259 0.425 -4.812 1.00 0.00 N ATOM 478 CA ALA A 33 6.093 0.337 -6.044 1.00 0.00 C ATOM 479 C ALA A 33 6.430 -1.126 -6.337 1.00 0.00 C ATOM 480 O ALA A 33 6.428 -1.559 -7.473 1.00 0.00 O ATOM 481 CB ALA A 33 7.360 1.130 -5.726 1.00 0.00 C ATOM 0 H ALA A 33 5.593 1.081 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 33 5.583 0.731 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.027 1.112 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.095 2.162 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.863 0.683 -4.869 1.00 0.00 H new ATOM 487 N THR A 34 6.715 -1.893 -5.320 1.00 0.00 N ATOM 488 CA THR A 34 7.044 -3.329 -5.544 1.00 0.00 C ATOM 489 C THR A 34 5.815 -4.065 -6.079 1.00 0.00 C ATOM 490 O THR A 34 5.784 -4.493 -7.216 1.00 0.00 O ATOM 491 CB THR A 34 7.436 -3.870 -4.169 1.00 0.00 C ATOM 492 OG1 THR A 34 8.601 -3.198 -3.711 1.00 0.00 O ATOM 493 CG2 THR A 34 7.717 -5.369 -4.278 1.00 0.00 C ATOM 0 H THR A 34 6.734 -1.588 -4.347 1.00 0.00 H new ATOM 0 HA THR A 34 7.844 -3.463 -6.273 1.00 0.00 H new ATOM 0 HB THR A 34 6.622 -3.703 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.852 -3.543 -2.829 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.997 -5.759 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.822 -5.882 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.532 -5.536 -4.982 1.00 0.00 H new ATOM 501 N VAL A 35 4.797 -4.208 -5.273 1.00 0.00 N ATOM 502 CA VAL A 35 3.568 -4.907 -5.745 1.00 0.00 C ATOM 503 C VAL A 35 3.216 -4.424 -7.154 1.00 0.00 C ATOM 504 O VAL A 35 2.732 -5.172 -7.983 1.00 0.00 O ATOM 505 CB VAL A 35 2.475 -4.508 -4.755 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.812 -5.059 -3.370 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.382 -2.981 -4.684 1.00 0.00 C ATOM 0 H VAL A 35 4.764 -3.872 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 35 3.693 -5.989 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 35 1.521 -4.917 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.031 -4.773 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.879 -6.146 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.767 -4.651 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.602 -2.696 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.337 -2.573 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.140 -2.585 -5.670 1.00 0.00 H new ATOM 517 N MET A 36 3.462 -3.171 -7.427 1.00 0.00 N ATOM 518 CA MET A 36 3.150 -2.617 -8.774 1.00 0.00 C ATOM 519 C MET A 36 3.915 -3.382 -9.857 1.00 0.00 C ATOM 520 O MET A 36 3.329 -3.975 -10.741 1.00 0.00 O ATOM 521 CB MET A 36 3.612 -1.160 -8.713 1.00 0.00 C ATOM 522 CG MET A 36 2.713 -0.301 -9.603 1.00 0.00 C ATOM 523 SD MET A 36 2.407 1.291 -8.796 1.00 0.00 S ATOM 524 CE MET A 36 2.520 2.322 -10.278 1.00 0.00 C ATOM 0 H MET A 36 3.868 -2.504 -6.770 1.00 0.00 H new ATOM 0 HA MET A 36 2.092 -2.702 -9.022 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.576 -0.799 -7.685 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.648 -1.082 -9.042 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.186 -0.144 -10.572 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.769 -0.814 -9.788 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.301 3.070 -10.142 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.761 1.697 -11.138 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.566 2.821 -10.448 1.00 0.00 H new ATOM 534 N ARG A 37 5.220 -3.376 -9.797 1.00 0.00 N ATOM 535 CA ARG A 37 6.016 -4.104 -10.828 1.00 0.00 C ATOM 536 C ARG A 37 5.839 -5.617 -10.667 1.00 0.00 C ATOM 537 O ARG A 37 6.084 -6.380 -11.579 1.00 0.00 O ATOM 538 CB ARG A 37 7.467 -3.703 -10.563 1.00 0.00 C ATOM 539 CG ARG A 37 8.353 -4.200 -11.707 1.00 0.00 C ATOM 540 CD ARG A 37 9.763 -4.473 -11.180 1.00 0.00 C ATOM 541 NE ARG A 37 10.668 -4.130 -12.312 1.00 0.00 N ATOM 542 CZ ARG A 37 11.448 -5.044 -12.823 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.252 -5.723 -12.051 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.424 -5.278 -14.107 1.00 0.00 N ATOM 0 H ARG A 37 5.768 -2.900 -9.081 1.00 0.00 H new ATOM 0 HA ARG A 37 5.702 -3.856 -11.842 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.545 -2.620 -10.473 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.805 -4.126 -9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.932 -5.108 -12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.389 -3.456 -12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.981 -3.865 -10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.879 -5.515 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 37 10.678 -3.182 -12.688 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.271 -5.540 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.861 -6.437 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.796 -4.747 -14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.033 -5.992 -14.507 1.00 0.00 H new ATOM 558 N SER A 38 5.420 -6.054 -9.511 1.00 0.00 N ATOM 559 CA SER A 38 5.232 -7.516 -9.289 1.00 0.00 C ATOM 560 C SER A 38 4.054 -8.039 -10.115 1.00 0.00 C ATOM 561 O SER A 38 4.044 -9.176 -10.545 1.00 0.00 O ATOM 562 CB SER A 38 4.942 -7.655 -7.795 1.00 0.00 C ATOM 563 OG SER A 38 5.715 -8.722 -7.263 1.00 0.00 O ATOM 0 H SER A 38 5.200 -5.462 -8.710 1.00 0.00 H new ATOM 0 HA SER A 38 6.107 -8.091 -9.592 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.181 -6.725 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.881 -7.845 -7.635 1.00 0.00 H new ATOM 0 HG SER A 38 5.532 -8.812 -6.304 1.00 0.00 H new ATOM 569 N LEU A 39 3.062 -7.224 -10.341 1.00 0.00 N ATOM 570 CA LEU A 39 1.890 -7.687 -11.141 1.00 0.00 C ATOM 571 C LEU A 39 2.307 -7.934 -12.592 1.00 0.00 C ATOM 572 O LEU A 39 1.922 -8.913 -13.201 1.00 0.00 O ATOM 573 CB LEU A 39 0.869 -6.551 -11.063 1.00 0.00 C ATOM 574 CG LEU A 39 0.063 -6.665 -9.766 1.00 0.00 C ATOM 575 CD1 LEU A 39 -1.078 -5.647 -9.784 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.521 -8.075 -9.647 1.00 0.00 C ATOM 0 H LEU A 39 3.010 -6.261 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 39 1.480 -8.623 -10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.379 -5.588 -11.101 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.200 -6.592 -11.922 1.00 0.00 H new ATOM 0 HG LEU A 39 0.717 -6.468 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.652 -5.728 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.667 -4.641 -9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.729 -5.846 -10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.094 -8.155 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.174 -8.271 -10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.289 -8.804 -9.635 1.00 0.00 H new ATOM 588 N GLY A 40 3.094 -7.057 -13.151 1.00 0.00 N ATOM 589 CA GLY A 40 3.536 -7.247 -14.563 1.00 0.00 C ATOM 590 C GLY A 40 3.779 -5.885 -15.216 1.00 0.00 C ATOM 591 O GLY A 40 3.491 -5.686 -16.379 1.00 0.00 O ATOM 0 H GLY A 40 3.450 -6.218 -12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.449 -7.842 -14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.778 -7.798 -15.120 1.00 0.00 H new ATOM 595 N LEU A 41 4.312 -4.946 -14.481 1.00 0.00 N ATOM 596 CA LEU A 41 4.574 -3.601 -15.069 1.00 0.00 C ATOM 597 C LEU A 41 5.914 -3.058 -14.567 1.00 0.00 C ATOM 598 O LEU A 41 6.571 -3.663 -13.743 1.00 0.00 O ATOM 599 CB LEU A 41 3.422 -2.720 -14.586 1.00 0.00 C ATOM 600 CG LEU A 41 3.182 -2.964 -13.095 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.096 -1.622 -12.366 1.00 0.00 C ATOM 602 CD2 LEU A 41 1.870 -3.729 -12.910 1.00 0.00 C ATOM 0 H LEU A 41 4.577 -5.052 -13.502 1.00 0.00 H new ATOM 0 HA LEU A 41 4.630 -3.632 -16.157 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.656 -1.670 -14.760 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.518 -2.943 -15.152 1.00 0.00 H new ATOM 0 HG LEU A 41 4.006 -3.548 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.925 -1.795 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.030 -1.075 -12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.272 -1.038 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.697 -3.904 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.047 -3.144 -13.320 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.930 -4.685 -13.430 1.00 0.00 H new ATOM 614 N SER A 42 6.326 -1.920 -15.057 1.00 0.00 N ATOM 615 CA SER A 42 7.624 -1.341 -14.606 1.00 0.00 C ATOM 616 C SER A 42 7.740 0.115 -15.065 1.00 0.00 C ATOM 617 O SER A 42 8.286 0.394 -16.114 1.00 0.00 O ATOM 618 CB SER A 42 8.694 -2.202 -15.275 1.00 0.00 C ATOM 619 OG SER A 42 8.392 -2.336 -16.657 1.00 0.00 O ATOM 0 H SER A 42 5.821 -1.367 -15.749 1.00 0.00 H new ATOM 0 HA SER A 42 7.722 -1.340 -13.520 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.676 -1.746 -15.148 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.735 -3.184 -14.803 1.00 0.00 H new ATOM 0 HG SER A 42 8.244 -1.449 -17.047 1.00 0.00 H new ATOM 625 N PRO A 43 7.222 0.997 -14.254 1.00 0.00 N ATOM 626 CA PRO A 43 7.266 2.444 -14.573 1.00 0.00 C ATOM 627 C PRO A 43 8.693 2.981 -14.420 1.00 0.00 C ATOM 628 O PRO A 43 9.652 2.236 -14.450 1.00 0.00 O ATOM 629 CB PRO A 43 6.334 3.066 -13.536 1.00 0.00 C ATOM 630 CG PRO A 43 6.327 2.100 -12.394 1.00 0.00 C ATOM 631 CD PRO A 43 6.553 0.730 -12.977 1.00 0.00 C ATOM 0 HA PRO A 43 6.966 2.669 -15.597 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.692 4.046 -13.222 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.332 3.207 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.108 2.347 -11.675 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.378 2.140 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.171 0.114 -12.323 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.613 0.197 -13.122 1.00 0.00 H new ATOM 639 N SER A 44 8.841 4.267 -14.255 1.00 0.00 N ATOM 640 CA SER A 44 10.206 4.845 -14.102 1.00 0.00 C ATOM 641 C SER A 44 10.259 5.760 -12.876 1.00 0.00 C ATOM 642 O SER A 44 9.245 6.195 -12.369 1.00 0.00 O ATOM 643 CB SER A 44 10.442 5.648 -15.380 1.00 0.00 C ATOM 644 OG SER A 44 9.575 5.170 -16.400 1.00 0.00 O ATOM 0 H SER A 44 8.077 4.942 -14.220 1.00 0.00 H new ATOM 0 HA SER A 44 10.965 4.077 -13.958 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.259 6.707 -15.197 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.481 5.554 -15.696 1.00 0.00 H new ATOM 0 HG SER A 44 9.722 5.684 -17.222 1.00 0.00 H new ATOM 650 N GLU A 45 11.436 6.057 -12.395 1.00 0.00 N ATOM 651 CA GLU A 45 11.551 6.945 -11.203 1.00 0.00 C ATOM 652 C GLU A 45 10.588 8.127 -11.333 1.00 0.00 C ATOM 653 O GLU A 45 9.683 8.293 -10.540 1.00 0.00 O ATOM 654 CB GLU A 45 13.002 7.428 -11.206 1.00 0.00 C ATOM 655 CG GLU A 45 13.929 6.269 -10.838 1.00 0.00 C ATOM 656 CD GLU A 45 15.385 6.702 -11.015 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.619 7.895 -11.113 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.240 5.833 -11.050 1.00 0.00 O ATOM 0 H GLU A 45 12.322 5.724 -12.775 1.00 0.00 H new ATOM 0 HA GLU A 45 11.298 6.430 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.264 7.818 -12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.125 8.245 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.753 5.962 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.716 5.406 -11.468 1.00 0.00 H new ATOM 665 N ALA A 46 10.774 8.949 -12.330 1.00 0.00 N ATOM 666 CA ALA A 46 9.865 10.116 -12.509 1.00 0.00 C ATOM 667 C ALA A 46 8.412 9.682 -12.304 1.00 0.00 C ATOM 668 O ALA A 46 7.658 10.316 -11.592 1.00 0.00 O ATOM 669 CB ALA A 46 10.090 10.577 -13.950 1.00 0.00 C ATOM 0 H ALA A 46 11.514 8.863 -13.026 1.00 0.00 H new ATOM 0 HA ALA A 46 10.065 10.913 -11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.454 11.437 -14.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.135 10.857 -14.083 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.842 9.766 -14.634 1.00 0.00 H new ATOM 675 N GLU A 47 8.014 8.602 -12.920 1.00 0.00 N ATOM 676 CA GLU A 47 6.611 8.124 -12.756 1.00 0.00 C ATOM 677 C GLU A 47 6.332 7.821 -11.283 1.00 0.00 C ATOM 678 O GLU A 47 5.239 8.023 -10.792 1.00 0.00 O ATOM 679 CB GLU A 47 6.527 6.847 -13.593 1.00 0.00 C ATOM 680 CG GLU A 47 5.324 6.931 -14.534 1.00 0.00 C ATOM 681 CD GLU A 47 4.033 6.946 -13.713 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.126 6.879 -12.498 1.00 0.00 O ATOM 683 OE2 GLU A 47 2.973 7.024 -14.312 1.00 0.00 O ATOM 0 H GLU A 47 8.599 8.030 -13.529 1.00 0.00 H new ATOM 0 HA GLU A 47 5.879 8.866 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.443 6.716 -14.168 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.432 5.978 -12.942 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.389 7.831 -15.145 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.323 6.081 -15.217 1.00 0.00 H new ATOM 690 N VAL A 48 7.317 7.341 -10.571 1.00 0.00 N ATOM 691 CA VAL A 48 7.111 7.028 -9.128 1.00 0.00 C ATOM 692 C VAL A 48 7.017 8.323 -8.318 1.00 0.00 C ATOM 693 O VAL A 48 6.153 8.479 -7.477 1.00 0.00 O ATOM 694 CB VAL A 48 8.347 6.228 -8.715 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.081 5.528 -7.381 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.660 5.178 -9.785 1.00 0.00 C ATOM 0 H VAL A 48 8.254 7.153 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 48 6.189 6.473 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 48 9.195 6.904 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.962 4.958 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.859 6.273 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.231 4.853 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.541 4.609 -9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.811 4.503 -9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.851 5.674 -10.737 1.00 0.00 H new ATOM 706 N ASN A 49 7.899 9.252 -8.564 1.00 0.00 N ATOM 707 CA ASN A 49 7.861 10.537 -7.810 1.00 0.00 C ATOM 708 C ASN A 49 6.450 11.131 -7.850 1.00 0.00 C ATOM 709 O ASN A 49 5.900 11.517 -6.838 1.00 0.00 O ATOM 710 CB ASN A 49 8.849 11.451 -8.534 1.00 0.00 C ATOM 711 CG ASN A 49 9.725 12.172 -7.508 1.00 0.00 C ATOM 712 OD1 ASN A 49 9.378 13.237 -7.037 1.00 0.00 O ATOM 713 ND2 ASN A 49 10.855 11.634 -7.140 1.00 0.00 N ATOM 0 H ASN A 49 8.645 9.177 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 49 8.121 10.408 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.471 10.867 -9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.310 12.178 -9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.447 12.107 -6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.147 10.740 -7.535 1.00 0.00 H new ATOM 720 N ASP A 50 5.862 11.208 -9.011 1.00 0.00 N ATOM 721 CA ASP A 50 4.487 11.778 -9.114 1.00 0.00 C ATOM 722 C ASP A 50 3.453 10.742 -8.665 1.00 0.00 C ATOM 723 O ASP A 50 2.418 11.078 -8.124 1.00 0.00 O ATOM 724 CB ASP A 50 4.306 12.109 -10.596 1.00 0.00 C ATOM 725 CG ASP A 50 5.112 13.364 -10.941 1.00 0.00 C ATOM 726 OD1 ASP A 50 6.280 13.408 -10.591 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.547 14.258 -11.549 1.00 0.00 O ATOM 0 H ASP A 50 6.272 10.902 -9.893 1.00 0.00 H new ATOM 0 HA ASP A 50 4.354 12.656 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.637 11.271 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.251 12.269 -10.818 1.00 0.00 H new ATOM 732 N LEU A 51 3.725 9.484 -8.886 1.00 0.00 N ATOM 733 CA LEU A 51 2.758 8.428 -8.471 1.00 0.00 C ATOM 734 C LEU A 51 2.585 8.439 -6.950 1.00 0.00 C ATOM 735 O LEU A 51 1.495 8.277 -6.439 1.00 0.00 O ATOM 736 CB LEU A 51 3.387 7.113 -8.932 1.00 0.00 C ATOM 737 CG LEU A 51 2.557 5.940 -8.408 1.00 0.00 C ATOM 738 CD1 LEU A 51 1.646 5.422 -9.523 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.492 4.817 -7.955 1.00 0.00 C ATOM 0 H LEU A 51 4.574 9.142 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 51 1.769 8.579 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.434 7.082 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.411 7.040 -8.567 1.00 0.00 H new ATOM 0 HG LEU A 51 1.950 6.272 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.054 4.586 -9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.980 6.221 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.254 5.090 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.902 3.980 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.098 4.486 -8.798 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.144 5.184 -7.162 1.00 0.00 H new ATOM 751 N MET A 52 3.653 8.626 -6.224 1.00 0.00 N ATOM 752 CA MET A 52 3.549 8.647 -4.736 1.00 0.00 C ATOM 753 C MET A 52 3.084 10.024 -4.259 1.00 0.00 C ATOM 754 O MET A 52 2.243 10.139 -3.388 1.00 0.00 O ATOM 755 CB MET A 52 4.965 8.354 -4.236 1.00 0.00 C ATOM 756 CG MET A 52 4.934 7.149 -3.293 1.00 0.00 C ATOM 757 SD MET A 52 5.542 5.685 -4.166 1.00 0.00 S ATOM 758 CE MET A 52 4.038 4.689 -4.012 1.00 0.00 C ATOM 0 H MET A 52 4.593 8.765 -6.596 1.00 0.00 H new ATOM 0 HA MET A 52 2.827 7.921 -4.361 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.625 8.152 -5.079 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.367 9.225 -3.718 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.550 7.344 -2.415 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.918 6.978 -2.937 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.297 3.631 -4.051 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.552 4.909 -3.062 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.359 4.927 -4.831 1.00 0.00 H new ATOM 768 N ASN A 53 3.623 11.071 -4.820 1.00 0.00 N ATOM 769 CA ASN A 53 3.211 12.440 -4.397 1.00 0.00 C ATOM 770 C ASN A 53 1.699 12.611 -4.561 1.00 0.00 C ATOM 771 O ASN A 53 1.079 13.416 -3.894 1.00 0.00 O ATOM 772 CB ASN A 53 3.962 13.388 -5.333 1.00 0.00 C ATOM 773 CG ASN A 53 5.343 13.695 -4.749 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.768 13.065 -3.802 1.00 0.00 O ATOM 775 ND2 ASN A 53 6.065 14.644 -5.280 1.00 0.00 N ATOM 0 H ASN A 53 4.331 11.038 -5.553 1.00 0.00 H new ATOM 0 HA ASN A 53 3.441 12.635 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.065 12.936 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.397 14.311 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.987 14.857 -4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.707 15.173 -6.076 1.00 0.00 H new ATOM 782 N GLU A 54 1.099 11.859 -5.443 1.00 0.00 N ATOM 783 CA GLU A 54 -0.373 11.978 -5.649 1.00 0.00 C ATOM 784 C GLU A 54 -1.121 11.175 -4.582 1.00 0.00 C ATOM 785 O GLU A 54 -2.333 11.221 -4.493 1.00 0.00 O ATOM 786 CB GLU A 54 -0.626 11.392 -7.038 1.00 0.00 C ATOM 787 CG GLU A 54 -0.073 12.342 -8.102 1.00 0.00 C ATOM 788 CD GLU A 54 0.165 11.572 -9.402 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.392 10.376 -9.325 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.117 12.191 -10.452 1.00 0.00 O ATOM 0 H GLU A 54 1.565 11.167 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.720 13.008 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.150 10.415 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.694 11.240 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.774 13.159 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.859 12.789 -7.756 1.00 0.00 H new ATOM 797 N ILE A 55 -0.411 10.441 -3.770 1.00 0.00 N ATOM 798 CA ILE A 55 -1.082 9.636 -2.709 1.00 0.00 C ATOM 799 C ILE A 55 -0.374 9.836 -1.367 1.00 0.00 C ATOM 800 O ILE A 55 -1.003 10.008 -0.342 1.00 0.00 O ATOM 801 CB ILE A 55 -0.956 8.185 -3.173 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.569 7.260 -2.119 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.522 7.835 -3.359 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.322 5.803 -2.513 1.00 0.00 C ATOM 0 H ILE A 55 0.606 10.364 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.122 9.927 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.481 8.059 -4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.130 7.463 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.639 7.448 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.612 6.800 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.961 8.495 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.047 7.960 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.759 5.144 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.782 5.605 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.249 5.620 -2.577 1.00 0.00 H new ATOM 816 N ASP A 56 0.931 9.813 -1.365 1.00 0.00 N ATOM 817 CA ASP A 56 1.678 10.000 -0.088 1.00 0.00 C ATOM 818 C ASP A 56 1.242 11.300 0.594 1.00 0.00 C ATOM 819 O ASP A 56 1.170 12.344 -0.025 1.00 0.00 O ATOM 820 CB ASP A 56 3.149 10.077 -0.498 1.00 0.00 C ATOM 821 CG ASP A 56 3.987 10.545 0.692 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.700 10.117 1.799 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.902 11.322 0.478 1.00 0.00 O ATOM 0 H ASP A 56 1.512 9.673 -2.192 1.00 0.00 H new ATOM 0 HA ASP A 56 1.494 9.193 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.494 9.101 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.269 10.766 -1.334 1.00 0.00 H new ATOM 828 N VAL A 57 0.950 11.245 1.865 1.00 0.00 N ATOM 829 CA VAL A 57 0.521 12.477 2.585 1.00 0.00 C ATOM 830 C VAL A 57 1.712 13.111 3.307 1.00 0.00 C ATOM 831 O VAL A 57 1.758 14.307 3.521 1.00 0.00 O ATOM 832 CB VAL A 57 -0.526 12.002 3.593 1.00 0.00 C ATOM 833 CG1 VAL A 57 0.153 11.166 4.679 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.204 13.215 4.234 1.00 0.00 C ATOM 0 H VAL A 57 0.990 10.400 2.435 1.00 0.00 H new ATOM 0 HA VAL A 57 0.122 13.233 1.908 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.273 11.395 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.593 10.827 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.637 10.302 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.900 11.772 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.951 12.877 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.457 13.822 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.689 13.812 3.461 1.00 0.00 H new ATOM 844 N ASP A 58 2.678 12.319 3.688 1.00 0.00 N ATOM 845 CA ASP A 58 3.865 12.878 4.396 1.00 0.00 C ATOM 846 C ASP A 58 5.135 12.143 3.959 1.00 0.00 C ATOM 847 O ASP A 58 6.175 12.742 3.768 1.00 0.00 O ATOM 848 CB ASP A 58 3.590 12.635 5.880 1.00 0.00 C ATOM 849 CG ASP A 58 3.668 13.963 6.637 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.711 14.716 6.572 1.00 0.00 O ATOM 851 OD2 ASP A 58 4.684 14.203 7.269 1.00 0.00 O ATOM 0 H ASP A 58 2.696 11.310 3.540 1.00 0.00 H new ATOM 0 HA ASP A 58 4.018 13.935 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.605 12.187 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.316 11.930 6.285 1.00 0.00 H new ATOM 856 N GLY A 59 5.060 10.851 3.798 1.00 0.00 N ATOM 857 CA GLY A 59 6.263 10.081 3.373 1.00 0.00 C ATOM 858 C GLY A 59 5.934 8.586 3.355 1.00 0.00 C ATOM 859 O GLY A 59 5.827 7.978 2.308 1.00 0.00 O ATOM 0 H GLY A 59 4.217 10.295 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.584 10.405 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.091 10.274 4.056 1.00 0.00 H new ATOM 863 N ASN A 60 5.774 7.991 4.504 1.00 0.00 N ATOM 864 CA ASN A 60 5.452 6.535 4.550 1.00 0.00 C ATOM 865 C ASN A 60 3.987 6.329 4.945 1.00 0.00 C ATOM 866 O ASN A 60 3.682 5.641 5.898 1.00 0.00 O ATOM 867 CB ASN A 60 6.381 5.958 5.618 1.00 0.00 C ATOM 868 CG ASN A 60 7.715 5.570 4.979 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.746 5.018 3.897 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.828 5.838 5.607 1.00 0.00 N ATOM 0 H ASN A 60 5.852 8.448 5.413 1.00 0.00 H new ATOM 0 HA ASN A 60 5.591 6.051 3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.544 6.691 6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.921 5.086 6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.723 5.584 5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.802 6.301 6.515 1.00 0.00 H new ATOM 877 N HIS A 61 3.079 6.922 4.220 1.00 0.00 N ATOM 878 CA HIS A 61 1.635 6.761 4.554 1.00 0.00 C ATOM 879 C HIS A 61 1.220 5.293 4.412 1.00 0.00 C ATOM 880 O HIS A 61 1.891 4.508 3.773 1.00 0.00 O ATOM 881 CB HIS A 61 0.893 7.629 3.538 1.00 0.00 C ATOM 882 CG HIS A 61 0.955 6.982 2.181 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.901 6.019 1.866 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.197 7.147 1.049 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.688 5.645 0.591 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.661 6.302 0.046 1.00 0.00 N ATOM 0 H HIS A 61 3.274 7.511 3.411 1.00 0.00 H new ATOM 0 HA HIS A 61 1.413 7.056 5.580 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.145 7.757 3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.339 8.623 3.499 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.626 5.660 2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.634 7.830 0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.276 4.903 0.071 1.00 0.00 H new ATOM 894 N GLN A 62 0.118 4.919 5.001 1.00 0.00 N ATOM 895 CA GLN A 62 -0.338 3.503 4.899 1.00 0.00 C ATOM 896 C GLN A 62 -1.301 3.343 3.719 1.00 0.00 C ATOM 897 O GLN A 62 -2.456 3.711 3.794 1.00 0.00 O ATOM 898 CB GLN A 62 -1.056 3.221 6.220 1.00 0.00 C ATOM 899 CG GLN A 62 -2.134 4.281 6.451 1.00 0.00 C ATOM 900 CD GLN A 62 -1.707 5.203 7.594 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.683 6.408 7.441 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.367 4.684 8.742 1.00 0.00 N ATOM 0 H GLN A 62 -0.487 5.532 5.548 1.00 0.00 H new ATOM 0 HA GLN A 62 0.489 2.813 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.506 2.228 6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.342 3.228 7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.290 4.861 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.084 3.803 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.387 3.672 8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.081 5.290 9.511 1.00 0.00 H new ATOM 911 N ILE A 63 -0.834 2.798 2.630 1.00 0.00 N ATOM 912 CA ILE A 63 -1.721 2.617 1.446 1.00 0.00 C ATOM 913 C ILE A 63 -2.767 1.536 1.730 1.00 0.00 C ATOM 914 O ILE A 63 -2.640 0.763 2.659 1.00 0.00 O ATOM 915 CB ILE A 63 -0.791 2.176 0.317 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.199 3.302 0.006 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.614 1.864 -0.934 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.089 2.890 -1.168 1.00 0.00 C ATOM 0 H ILE A 63 0.124 2.470 2.508 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.264 3.528 1.195 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.246 1.283 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.340 4.218 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.811 3.515 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.949 1.550 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.321 1.064 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.160 2.756 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.794 3.692 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.639 1.985 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.470 2.699 -2.044 1.00 0.00 H new ATOM 930 N GLU A 64 -3.801 1.476 0.935 1.00 0.00 N ATOM 931 CA GLU A 64 -4.855 0.444 1.157 1.00 0.00 C ATOM 932 C GLU A 64 -5.102 -0.342 -0.132 1.00 0.00 C ATOM 933 O GLU A 64 -5.333 0.225 -1.181 1.00 0.00 O ATOM 934 CB GLU A 64 -6.103 1.232 1.554 1.00 0.00 C ATOM 935 CG GLU A 64 -5.926 1.798 2.964 1.00 0.00 C ATOM 936 CD GLU A 64 -7.253 2.381 3.451 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.282 1.970 2.941 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.218 3.230 4.327 1.00 0.00 O ATOM 0 H GLU A 64 -3.962 2.097 0.142 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.572 -0.280 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.275 2.042 0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.980 0.586 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.591 1.014 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.156 2.570 2.963 1.00 0.00 H new ATOM 945 N PHE A 65 -5.052 -1.645 -0.063 1.00 0.00 N ATOM 946 CA PHE A 65 -5.283 -2.465 -1.287 1.00 0.00 C ATOM 947 C PHE A 65 -6.459 -1.902 -2.088 1.00 0.00 C ATOM 948 O PHE A 65 -6.445 -1.888 -3.303 1.00 0.00 O ATOM 949 CB PHE A 65 -5.608 -3.866 -0.769 1.00 0.00 C ATOM 950 CG PHE A 65 -5.758 -4.812 -1.937 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.741 -4.909 -2.894 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.916 -5.589 -2.065 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.881 -5.785 -3.978 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.056 -6.465 -3.148 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.038 -6.562 -4.104 1.00 0.00 C ATOM 0 H PHE A 65 -4.862 -2.176 0.787 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.419 -2.466 -1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.816 -4.213 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.527 -3.845 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.849 -4.309 -2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.702 -5.512 -1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.096 -5.861 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.948 -7.065 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.146 -7.237 -4.940 1.00 0.00 H new ATOM 965 N SER A 66 -7.477 -1.437 -1.418 1.00 0.00 N ATOM 966 CA SER A 66 -8.653 -0.875 -2.142 1.00 0.00 C ATOM 967 C SER A 66 -8.223 0.320 -2.999 1.00 0.00 C ATOM 968 O SER A 66 -8.028 0.202 -4.192 1.00 0.00 O ATOM 969 CB SER A 66 -9.617 -0.427 -1.045 1.00 0.00 C ATOM 970 OG SER A 66 -10.680 0.315 -1.628 1.00 0.00 O ATOM 0 H SER A 66 -7.546 -1.422 -0.400 1.00 0.00 H new ATOM 0 HA SER A 66 -9.110 -1.601 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.011 -1.294 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.092 0.184 -0.311 1.00 0.00 H new ATOM 0 HG SER A 66 -11.301 0.602 -0.927 1.00 0.00 H new ATOM 976 N GLU A 67 -8.073 1.469 -2.398 1.00 0.00 N ATOM 977 CA GLU A 67 -7.655 2.669 -3.179 1.00 0.00 C ATOM 978 C GLU A 67 -6.494 2.312 -4.111 1.00 0.00 C ATOM 979 O GLU A 67 -6.453 2.726 -5.254 1.00 0.00 O ATOM 980 CB GLU A 67 -7.207 3.688 -2.130 1.00 0.00 C ATOM 981 CG GLU A 67 -5.944 3.180 -1.432 1.00 0.00 C ATOM 982 CD GLU A 67 -5.588 4.116 -0.276 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.038 5.251 -0.298 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.872 3.684 0.612 1.00 0.00 O ATOM 0 H GLU A 67 -8.221 1.629 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.459 3.056 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.012 4.651 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.000 3.847 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.104 2.168 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.118 3.131 -2.142 1.00 0.00 H new ATOM 991 N PHE A 68 -5.552 1.546 -3.634 1.00 0.00 N ATOM 992 CA PHE A 68 -4.395 1.163 -4.493 1.00 0.00 C ATOM 993 C PHE A 68 -4.884 0.753 -5.886 1.00 0.00 C ATOM 994 O PHE A 68 -4.515 1.344 -6.882 1.00 0.00 O ATOM 995 CB PHE A 68 -3.749 -0.025 -3.780 1.00 0.00 C ATOM 996 CG PHE A 68 -2.810 -0.736 -4.726 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.184 -0.026 -5.757 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.566 -2.105 -4.570 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.316 -0.686 -6.634 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.696 -2.765 -5.447 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.071 -2.055 -6.478 1.00 0.00 C ATOM 0 H PHE A 68 -5.533 1.168 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.693 1.985 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.204 0.319 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.518 -0.713 -3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.371 1.031 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.048 -2.652 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.835 -0.139 -7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.508 -3.822 -5.327 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.399 -2.564 -7.154 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.711 -0.253 -5.962 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.221 -0.700 -7.291 1.00 0.00 C ATOM 1013 C LEU A 69 -7.301 0.263 -7.792 1.00 0.00 C ATOM 1014 O LEU A 69 -7.385 0.559 -8.968 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.811 -2.088 -7.041 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.742 -3.150 -7.305 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.448 -2.763 -6.588 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.229 -4.502 -6.780 1.00 0.00 C ATOM 0 H LEU A 69 -6.056 -0.785 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.439 -0.721 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.169 -2.164 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.671 -2.252 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.556 -3.219 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.687 -3.520 -6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.101 -1.799 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.633 -2.694 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.469 -5.260 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.414 -4.431 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.151 -4.780 -7.290 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.126 0.755 -6.909 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.199 1.700 -7.338 1.00 0.00 C ATOM 1032 C ALA A 70 -8.598 2.835 -8.171 1.00 0.00 C ATOM 1033 O ALA A 70 -9.267 3.446 -8.980 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.789 2.243 -6.036 1.00 0.00 C ATOM 0 H ALA A 70 -8.105 0.545 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.955 1.217 -7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.588 2.948 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.190 1.419 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.010 2.750 -5.467 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.339 3.120 -7.978 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.694 4.215 -8.759 1.00 0.00 C ATOM 1042 C LEU A 71 -5.759 3.629 -9.820 1.00 0.00 C ATOM 1043 O LEU A 71 -5.662 4.130 -10.923 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.900 5.020 -7.730 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.826 6.024 -7.041 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.958 5.276 -6.337 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.028 6.827 -6.011 1.00 0.00 C ATOM 0 H LEU A 71 -6.729 2.643 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.423 4.832 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.458 4.351 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.078 5.543 -8.218 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.247 6.700 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.617 5.992 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.526 4.703 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.539 4.599 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.686 7.543 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.608 6.150 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.221 7.361 -6.512 1.00 0.00 H new ATOM 1059 N MET A 72 -5.069 2.570 -9.496 1.00 0.00 N ATOM 1060 CA MET A 72 -4.141 1.952 -10.485 1.00 0.00 C ATOM 1061 C MET A 72 -4.864 1.713 -11.813 1.00 0.00 C ATOM 1062 O MET A 72 -4.262 1.710 -12.868 1.00 0.00 O ATOM 1063 CB MET A 72 -3.719 0.623 -9.857 1.00 0.00 C ATOM 1064 CG MET A 72 -2.265 0.716 -9.390 1.00 0.00 C ATOM 1065 SD MET A 72 -2.096 2.083 -8.216 1.00 0.00 S ATOM 1066 CE MET A 72 -0.340 2.413 -8.504 1.00 0.00 C ATOM 0 H MET A 72 -5.108 2.106 -8.589 1.00 0.00 H new ATOM 0 HA MET A 72 -3.284 2.590 -10.701 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.368 0.385 -9.014 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.828 -0.184 -10.581 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.962 -0.220 -8.921 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.607 0.873 -10.244 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.207 2.315 -7.566 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.051 1.698 -9.228 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.219 3.425 -8.891 1.00 0.00 H new ATOM 1076 N SER A 73 -6.153 1.511 -11.769 1.00 0.00 N ATOM 1077 CA SER A 73 -6.914 1.272 -13.029 1.00 0.00 C ATOM 1078 C SER A 73 -6.687 2.425 -14.010 1.00 0.00 C ATOM 1079 O SER A 73 -6.947 2.308 -15.191 1.00 0.00 O ATOM 1080 CB SER A 73 -8.379 1.212 -12.601 1.00 0.00 C ATOM 1081 OG SER A 73 -9.081 0.319 -13.455 1.00 0.00 O ATOM 0 H SER A 73 -6.712 1.501 -10.916 1.00 0.00 H new ATOM 0 HA SER A 73 -6.600 0.359 -13.535 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.454 0.878 -11.566 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.825 2.205 -12.649 1.00 0.00 H new ATOM 0 HG SER A 73 -10.021 0.277 -13.182 1.00 0.00 H new ATOM 1087 N ARG A 74 -6.205 3.539 -13.530 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.962 4.698 -14.437 1.00 0.00 C ATOM 1089 C ARG A 74 -4.989 4.303 -15.551 1.00 0.00 C ATOM 1090 O ARG A 74 -4.979 4.890 -16.615 1.00 0.00 O ATOM 1091 CB ARG A 74 -5.347 5.776 -13.544 1.00 0.00 C ATOM 1092 CG ARG A 74 -5.696 7.159 -14.099 1.00 0.00 C ATOM 1093 CD ARG A 74 -4.417 7.864 -14.558 1.00 0.00 C ATOM 1094 NE ARG A 74 -4.222 8.977 -13.587 1.00 0.00 N ATOM 1095 CZ ARG A 74 -3.053 9.542 -13.469 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -2.653 10.408 -14.360 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -2.282 9.243 -12.460 1.00 0.00 N ATOM 0 H ARG A 74 -5.969 3.697 -12.550 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.875 5.042 -14.922 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.721 5.676 -12.525 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.265 5.653 -13.500 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.390 7.063 -14.934 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.197 7.753 -13.335 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.567 7.182 -14.553 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.517 8.241 -15.576 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.003 9.297 -13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.255 10.643 -15.149 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.738 10.850 -14.267 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.594 8.567 -11.763 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.368 9.685 -12.368 1.00 0.00 H new ATOM 1111 N GLN A 75 -4.173 3.313 -15.316 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.202 2.882 -16.363 1.00 0.00 C ATOM 1113 C GLN A 75 -2.662 1.486 -16.041 1.00 0.00 C ATOM 1114 O GLN A 75 -2.249 1.210 -14.932 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.078 3.917 -16.311 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.646 4.130 -14.859 1.00 0.00 C ATOM 1117 CD GLN A 75 -0.365 4.965 -14.824 1.00 0.00 C ATOM 1118 OE1 GLN A 75 0.716 4.433 -14.661 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -0.439 6.259 -14.971 1.00 0.00 N ATOM 0 H GLN A 75 -4.136 2.783 -14.445 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.658 2.825 -17.351 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.231 3.579 -16.908 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.417 4.859 -16.743 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.437 4.635 -14.304 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.479 3.168 -14.373 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.346 6.706 -15.108 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.410 6.824 -14.949 1.00 0.00 H new ATOM 1128 N LEU A 76 -2.663 0.604 -17.003 1.00 0.00 N ATOM 1129 CA LEU A 76 -2.148 -0.773 -16.751 1.00 0.00 C ATOM 1130 C LEU A 76 -1.942 -1.511 -18.076 1.00 0.00 C ATOM 1131 O LEU A 76 -2.832 -1.591 -18.900 1.00 0.00 O ATOM 1132 CB LEU A 76 -3.235 -1.456 -15.921 1.00 0.00 C ATOM 1133 CG LEU A 76 -2.620 -2.604 -15.118 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.117 -2.540 -13.673 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -3.035 -3.939 -15.740 1.00 0.00 C ATOM 0 H LEU A 76 -2.997 0.776 -17.951 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.186 -0.767 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.700 -0.736 -15.248 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.021 -1.835 -16.574 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.534 -2.517 -15.133 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.679 -3.358 -13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.824 -1.589 -13.229 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.203 -2.628 -13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.598 -4.758 -15.169 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.121 -4.025 -15.725 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.682 -3.986 -16.770 1.00 0.00 H new ATOM 1147 N LYS A 77 -0.773 -2.051 -18.290 1.00 0.00 N ATOM 1148 CA LYS A 77 -0.512 -2.784 -19.562 1.00 0.00 C ATOM 1149 C LYS A 77 -0.091 -4.226 -19.266 1.00 0.00 C ATOM 1150 O LYS A 77 0.786 -4.720 -19.955 1.00 0.00 O ATOM 1151 CB LYS A 77 0.630 -2.018 -20.232 1.00 0.00 C ATOM 1152 CG LYS A 77 0.621 -2.299 -21.735 1.00 0.00 C ATOM 1153 CD LYS A 77 0.537 -0.978 -22.501 1.00 0.00 C ATOM 1154 CE LYS A 77 1.685 -0.898 -23.510 1.00 0.00 C ATOM 1155 NZ LYS A 77 2.115 0.529 -23.493 1.00 0.00 N ATOM 1156 OXT LYS A 77 -0.652 -4.810 -18.354 1.00 0.00 O ATOM 0 H LYS A 77 0.012 -2.016 -17.640 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.396 -2.837 -20.197 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.520 -0.949 -20.051 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.585 -2.318 -19.801 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.523 -2.840 -22.020 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.226 -2.935 -21.992 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.420 -0.905 -23.017 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.590 -0.139 -21.807 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.504 -1.560 -23.229 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.358 -1.200 -24.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.901 0.663 -24.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.317 1.135 -23.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.428 0.786 -22.535 1.00 0.00 H new TER 1170 LYS A 77