USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 767 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 15 CYS SG : rot 86:sc= -1.76 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.0207 USER MOD Set 2.1: A 73 ASN : amide:sc= 0.624 K(o=1.4,f=-0.0066) USER MOD Set 2.2: A 85 TYR OH : rot 140:sc= 0.784 USER MOD Set 3.1: A 60 THR OG1 : rot 30:sc= -1.14 USER MOD Set 3.2: A 62 GLN : amide:sc= 0 K(o=-1.1,f=-1.9) USER MOD Set 4.1: A 42 GLN : amide:sc= 0.184 K(o=0.39,f=-3!) USER MOD Set 4.2: A 46 THR OG1 : rot 176:sc= 0.202 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0521 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0.357 K(o=0.36,f=-4.4!) USER MOD Single : A 4 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.15) USER MOD Single : A 5 ASN : amide:sc= -2.16 X(o=-2.2,f=-1.8) USER MOD Single : A 6 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.26) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -6.1! C(o=-6.1!,f=-6.4!) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc=-0.00511 (180deg=-0.119) USER MOD Single : A 22 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.24) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0958 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0814 X(o=-0.081,f=0) USER MOD Single : A 38 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.2!) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= -0.689 (180deg=-0.897) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 63 THR OG1 : rot 134:sc= 0.043 USER MOD Single : A 74 SER OG : rot -49:sc= 0.504 USER MOD Single : A 75 CYS SG : rot -50:sc= -0.171 USER MOD Single : A 83 MET CE :methyl 147:sc= -0.157 (180deg=-0.643) USER MOD Single : A 88 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.9!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -170:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.511 27.022 -4.480 1.00 0.00 N ATOM 2 CA MET A 1 -5.971 26.923 -4.203 1.00 0.00 C ATOM 3 C MET A 1 -6.421 25.464 -4.128 1.00 0.00 C ATOM 4 O MET A 1 -5.773 24.575 -4.683 1.00 0.00 O ATOM 5 CB MET A 1 -6.733 27.654 -5.316 1.00 0.00 C ATOM 6 CG MET A 1 -8.206 27.883 -5.004 1.00 0.00 C ATOM 7 SD MET A 1 -8.461 28.851 -3.503 1.00 0.00 S ATOM 8 CE MET A 1 -9.248 30.312 -4.173 1.00 0.00 C ATOM 0 H1 MET A 1 -4.018 27.357 -3.628 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.144 26.086 -4.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.350 27.692 -5.259 1.00 0.00 H new ATOM 0 HA MET A 1 -6.183 27.383 -3.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.256 28.617 -5.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.652 27.078 -6.238 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.675 28.394 -5.845 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.704 26.919 -4.898 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.469 31.009 -3.365 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.580 30.788 -4.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.175 30.029 -4.672 1.00 0.00 H new ATOM 20 N SER A 2 -7.539 25.230 -3.437 1.00 0.00 N ATOM 21 CA SER A 2 -8.094 23.882 -3.279 1.00 0.00 C ATOM 22 C SER A 2 -7.141 22.976 -2.493 1.00 0.00 C ATOM 23 O SER A 2 -6.137 23.438 -1.950 1.00 0.00 O ATOM 24 CB SER A 2 -8.402 23.260 -4.647 1.00 0.00 C ATOM 25 OG SER A 2 -8.821 24.243 -5.579 1.00 0.00 O ATOM 0 H SER A 2 -8.081 25.960 -2.975 1.00 0.00 H new ATOM 0 HA SER A 2 -9.022 23.972 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.515 22.752 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.180 22.504 -4.538 1.00 0.00 H new ATOM 0 HG SER A 2 -9.008 23.817 -6.442 1.00 0.00 H new ATOM 31 N ASN A 3 -7.467 21.685 -2.439 1.00 0.00 N ATOM 32 CA ASN A 3 -6.645 20.710 -1.721 1.00 0.00 C ATOM 33 C ASN A 3 -5.357 20.398 -2.481 1.00 0.00 C ATOM 34 O ASN A 3 -4.293 20.265 -1.876 1.00 0.00 O ATOM 35 CB ASN A 3 -7.436 19.419 -1.471 1.00 0.00 C ATOM 36 CG ASN A 3 -8.067 18.856 -2.736 1.00 0.00 C ATOM 37 OD1 ASN A 3 -8.838 19.536 -3.412 1.00 0.00 O ATOM 38 ND2 ASN A 3 -7.746 17.608 -3.059 1.00 0.00 N ATOM 0 H ASN A 3 -8.295 21.289 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.373 21.151 -0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.772 18.670 -1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.218 19.614 -0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.143 17.179 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.102 17.078 -2.471 1.00 0.00 H new ATOM 45 N HIS A 4 -5.460 20.272 -3.807 1.00 0.00 N ATOM 46 CA HIS A 4 -4.298 19.964 -4.643 1.00 0.00 C ATOM 47 C HIS A 4 -3.617 18.679 -4.166 1.00 0.00 C ATOM 48 O HIS A 4 -2.392 18.547 -4.234 1.00 0.00 O ATOM 49 CB HIS A 4 -3.305 21.131 -4.623 1.00 0.00 C ATOM 50 CG HIS A 4 -2.303 21.092 -5.739 1.00 0.00 C ATOM 51 ND1 HIS A 4 -0.971 21.405 -5.562 1.00 0.00 N ATOM 52 CD2 HIS A 4 -2.442 20.773 -7.049 1.00 0.00 C ATOM 53 CE1 HIS A 4 -0.336 21.285 -6.715 1.00 0.00 C ATOM 54 NE2 HIS A 4 -1.204 20.902 -7.632 1.00 0.00 N ATOM 0 H HIS A 4 -6.334 20.378 -4.323 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.640 19.813 -5.667 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.859 22.068 -4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.775 21.129 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.355 20.473 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 4 0.715 21.469 -6.879 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.991 20.730 -8.614 1.00 0.00 H new ATOM 63 N ASN A 5 -4.423 17.734 -3.680 1.00 0.00 N ATOM 64 CA ASN A 5 -3.907 16.463 -3.188 1.00 0.00 C ATOM 65 C ASN A 5 -4.757 15.299 -3.685 1.00 0.00 C ATOM 66 O ASN A 5 -5.973 15.427 -3.826 1.00 0.00 O ATOM 67 CB ASN A 5 -3.869 16.464 -1.656 1.00 0.00 C ATOM 68 CG ASN A 5 -3.214 15.215 -1.089 1.00 0.00 C ATOM 69 OD1 ASN A 5 -2.045 15.233 -0.711 1.00 0.00 O ATOM 70 ND2 ASN A 5 -3.966 14.121 -1.032 1.00 0.00 N ATOM 0 H ASN A 5 -5.437 17.828 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.894 16.338 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.327 17.344 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.885 16.544 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.577 13.253 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.933 14.149 -1.356 1.00 0.00 H new ATOM 77 N HIS A 6 -4.109 14.161 -3.946 1.00 0.00 N ATOM 78 CA HIS A 6 -4.808 12.970 -4.423 1.00 0.00 C ATOM 79 C HIS A 6 -3.865 11.773 -4.516 1.00 0.00 C ATOM 80 O HIS A 6 -3.037 11.693 -5.425 1.00 0.00 O ATOM 81 CB HIS A 6 -5.451 13.240 -5.787 1.00 0.00 C ATOM 82 CG HIS A 6 -6.948 13.298 -5.743 1.00 0.00 C ATOM 83 ND1 HIS A 6 -7.709 13.846 -6.751 1.00 0.00 N ATOM 84 CD2 HIS A 6 -7.825 12.875 -4.799 1.00 0.00 C ATOM 85 CE1 HIS A 6 -8.988 13.761 -6.430 1.00 0.00 C ATOM 86 NE2 HIS A 6 -9.086 13.175 -5.251 1.00 0.00 N ATOM 0 H HIS A 6 -3.102 14.041 -3.834 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.589 12.731 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.070 14.183 -6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.146 12.459 -6.484 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.577 12.392 -3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.814 14.112 -7.031 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.956 12.978 -4.757 1.00 0.00 H new ATOM 95 N ILE A 7 -4.000 10.842 -3.572 1.00 0.00 N ATOM 96 CA ILE A 7 -3.166 9.641 -3.544 1.00 0.00 C ATOM 97 C ILE A 7 -3.830 8.508 -4.326 1.00 0.00 C ATOM 98 O ILE A 7 -5.046 8.510 -4.516 1.00 0.00 O ATOM 99 CB ILE A 7 -2.898 9.178 -2.090 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.549 10.376 -1.200 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.787 8.139 -2.045 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.297 11.120 -1.627 1.00 0.00 C ATOM 0 H ILE A 7 -4.681 10.897 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.214 9.892 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.809 8.716 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.389 11.071 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.421 10.028 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.619 7.831 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.075 7.272 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.870 8.569 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.119 11.953 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.444 10.442 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.427 11.500 -2.640 1.00 0.00 H new ATOM 114 N THR A 8 -3.031 7.546 -4.785 1.00 0.00 N ATOM 115 CA THR A 8 -3.560 6.417 -5.551 1.00 0.00 C ATOM 116 C THR A 8 -3.165 5.081 -4.925 1.00 0.00 C ATOM 117 O THR A 8 -2.098 4.539 -5.216 1.00 0.00 O ATOM 118 CB THR A 8 -3.072 6.472 -7.002 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.351 7.735 -7.581 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.697 5.410 -7.885 1.00 0.00 C ATOM 0 H THR A 8 -2.021 7.525 -4.642 1.00 0.00 H new ATOM 0 HA THR A 8 -4.647 6.495 -5.535 1.00 0.00 H new ATOM 0 HB THR A 8 -1.998 6.293 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.030 7.749 -8.507 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.308 5.505 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.453 4.422 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.779 5.538 -7.898 1.00 0.00 H new ATOM 128 N VAL A 9 -4.044 4.547 -4.080 1.00 0.00 N ATOM 129 CA VAL A 9 -3.802 3.264 -3.427 1.00 0.00 C ATOM 130 C VAL A 9 -4.800 2.220 -3.929 1.00 0.00 C ATOM 131 O VAL A 9 -5.972 2.227 -3.549 1.00 0.00 O ATOM 132 CB VAL A 9 -3.886 3.377 -1.887 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.252 3.879 -1.441 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.556 2.041 -1.233 1.00 0.00 C ATOM 0 H VAL A 9 -4.931 4.984 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.789 2.952 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.146 4.109 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.277 3.947 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.436 4.864 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.022 3.186 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.620 2.141 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.265 1.285 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.546 1.740 -1.510 1.00 0.00 H new ATOM 144 N GLN A 10 -4.328 1.335 -4.803 1.00 0.00 N ATOM 145 CA GLN A 10 -5.184 0.301 -5.375 1.00 0.00 C ATOM 146 C GLN A 10 -4.530 -1.081 -5.302 1.00 0.00 C ATOM 147 O GLN A 10 -3.333 -1.202 -5.032 1.00 0.00 O ATOM 148 CB GLN A 10 -5.517 0.655 -6.829 1.00 0.00 C ATOM 149 CG GLN A 10 -4.308 0.677 -7.749 1.00 0.00 C ATOM 150 CD GLN A 10 -3.820 2.076 -8.060 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.420 2.794 -8.859 1.00 0.00 O ATOM 152 NE2 GLN A 10 -2.717 2.467 -7.429 1.00 0.00 N ATOM 0 H GLN A 10 -3.362 1.313 -5.129 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.102 0.259 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.240 -0.066 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.998 1.633 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.499 0.111 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.560 0.171 -8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.253 1.837 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.335 3.397 -7.599 1.00 0.00 H new ATOM 161 N PHE A 11 -5.332 -2.119 -5.546 1.00 0.00 N ATOM 162 CA PHE A 11 -4.847 -3.499 -5.513 1.00 0.00 C ATOM 163 C PHE A 11 -5.155 -4.216 -6.827 1.00 0.00 C ATOM 164 O PHE A 11 -5.988 -3.759 -7.613 1.00 0.00 O ATOM 165 CB PHE A 11 -5.480 -4.259 -4.342 1.00 0.00 C ATOM 166 CG PHE A 11 -5.339 -3.559 -3.020 1.00 0.00 C ATOM 167 CD1 PHE A 11 -6.258 -2.596 -2.632 1.00 0.00 C ATOM 168 CD2 PHE A 11 -4.291 -3.860 -2.165 1.00 0.00 C ATOM 169 CE1 PHE A 11 -6.133 -1.948 -1.419 1.00 0.00 C ATOM 170 CE2 PHE A 11 -4.161 -3.215 -0.951 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.083 -2.257 -0.577 1.00 0.00 C ATOM 0 H PHE A 11 -6.323 -2.029 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.766 -3.474 -5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.539 -4.413 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.022 -5.246 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.081 -2.350 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.567 -4.608 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.856 -1.200 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.339 -3.459 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.983 -1.751 0.372 1.00 0.00 H new ATOM 181 N ALA A 12 -4.480 -5.345 -7.057 1.00 0.00 N ATOM 182 CA ALA A 12 -4.677 -6.130 -8.275 1.00 0.00 C ATOM 183 C ALA A 12 -3.872 -7.427 -8.228 1.00 0.00 C ATOM 184 O ALA A 12 -2.646 -7.399 -8.133 1.00 0.00 O ATOM 185 CB ALA A 12 -4.290 -5.318 -9.506 1.00 0.00 C ATOM 0 H ALA A 12 -3.791 -5.735 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.735 -6.384 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.444 -5.920 -10.402 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.908 -4.422 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.241 -5.031 -9.437 1.00 0.00 H new ATOM 191 N GLY A 13 -4.569 -8.558 -8.299 1.00 0.00 N ATOM 192 CA GLY A 13 -3.899 -9.848 -8.264 1.00 0.00 C ATOM 193 C GLY A 13 -4.051 -10.547 -6.927 1.00 0.00 C ATOM 194 O GLY A 13 -3.058 -10.924 -6.300 1.00 0.00 O ATOM 0 H GLY A 13 -5.585 -8.605 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.303 -10.485 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.839 -9.709 -8.479 1.00 0.00 H new ATOM 198 N GLY A 14 -5.298 -10.723 -6.492 1.00 0.00 N ATOM 199 CA GLY A 14 -5.568 -11.387 -5.225 1.00 0.00 C ATOM 200 C GLY A 14 -5.077 -10.604 -4.012 1.00 0.00 C ATOM 201 O GLY A 14 -4.798 -11.193 -2.967 1.00 0.00 O ATOM 0 H GLY A 14 -6.130 -10.416 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.641 -11.551 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.094 -12.369 -5.230 1.00 0.00 H new ATOM 205 N CYS A 15 -4.975 -9.279 -4.144 1.00 0.00 N ATOM 206 CA CYS A 15 -4.519 -8.426 -3.042 1.00 0.00 C ATOM 207 C CYS A 15 -5.614 -7.452 -2.589 1.00 0.00 C ATOM 208 O CYS A 15 -5.373 -6.591 -1.742 1.00 0.00 O ATOM 209 CB CYS A 15 -3.274 -7.638 -3.462 1.00 0.00 C ATOM 210 SG CYS A 15 -1.989 -7.554 -2.194 1.00 0.00 S ATOM 0 H CYS A 15 -5.201 -8.774 -5.001 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.275 -9.078 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.855 -8.094 -4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.572 -6.624 -3.729 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.228 -8.604 -2.277 1.00 0.00 H new ATOM 216 N GLU A 16 -6.811 -7.588 -3.157 1.00 0.00 N ATOM 217 CA GLU A 16 -7.931 -6.715 -2.817 1.00 0.00 C ATOM 218 C GLU A 16 -8.671 -7.196 -1.564 1.00 0.00 C ATOM 219 O GLU A 16 -9.332 -6.406 -0.888 1.00 0.00 O ATOM 220 CB GLU A 16 -8.896 -6.630 -4.000 1.00 0.00 C ATOM 221 CG GLU A 16 -8.316 -5.902 -5.203 1.00 0.00 C ATOM 222 CD GLU A 16 -9.144 -6.085 -6.463 1.00 0.00 C ATOM 223 OE1 GLU A 16 -9.602 -7.220 -6.715 1.00 0.00 O ATOM 224 OE2 GLU A 16 -9.328 -5.093 -7.200 1.00 0.00 O ATOM 0 H GLU A 16 -7.030 -8.297 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.530 -5.725 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.182 -7.638 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.806 -6.121 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.241 -4.839 -4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.303 -6.262 -5.385 1.00 0.00 H new ATOM 231 N LEU A 17 -8.556 -8.491 -1.253 1.00 0.00 N ATOM 232 CA LEU A 17 -9.217 -9.060 -0.077 1.00 0.00 C ATOM 233 C LEU A 17 -8.586 -8.568 1.234 1.00 0.00 C ATOM 234 O LEU A 17 -9.082 -8.884 2.317 1.00 0.00 O ATOM 235 CB LEU A 17 -9.170 -10.591 -0.121 1.00 0.00 C ATOM 236 CG LEU A 17 -10.238 -11.254 -0.998 1.00 0.00 C ATOM 237 CD1 LEU A 17 -9.591 -11.992 -2.161 1.00 0.00 C ATOM 238 CD2 LEU A 17 -11.094 -12.206 -0.169 1.00 0.00 C ATOM 0 H LEU A 17 -8.013 -9.162 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.253 -8.723 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.187 -10.898 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.271 -10.971 0.896 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.884 -10.475 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.364 -12.456 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.023 -11.287 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.922 -12.762 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.847 -12.668 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.461 -12.980 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.586 -11.651 0.629 1.00 0.00 H new ATOM 250 N LEU A 18 -7.494 -7.799 1.143 1.00 0.00 N ATOM 251 CA LEU A 18 -6.817 -7.285 2.335 1.00 0.00 C ATOM 252 C LEU A 18 -7.538 -6.064 2.937 1.00 0.00 C ATOM 253 O LEU A 18 -7.013 -5.422 3.849 1.00 0.00 O ATOM 254 CB LEU A 18 -5.364 -6.916 2.007 1.00 0.00 C ATOM 255 CG LEU A 18 -4.585 -7.959 1.199 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.186 -7.452 0.880 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.516 -9.281 1.950 1.00 0.00 C ATOM 0 H LEU A 18 -7.064 -7.521 0.261 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.836 -8.081 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.362 -5.977 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.833 -6.736 2.942 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.113 -8.127 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.648 -8.206 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.256 -6.534 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.651 -7.253 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.959 -10.007 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.015 -9.131 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.525 -9.654 2.124 1.00 0.00 H new ATOM 269 N PHE A 19 -8.738 -5.749 2.436 1.00 0.00 N ATOM 270 CA PHE A 19 -9.508 -4.613 2.940 1.00 0.00 C ATOM 271 C PHE A 19 -11.000 -4.890 2.807 1.00 0.00 C ATOM 272 O PHE A 19 -11.715 -4.977 3.803 1.00 0.00 O ATOM 273 CB PHE A 19 -9.126 -3.333 2.184 1.00 0.00 C ATOM 274 CG PHE A 19 -9.849 -2.096 2.653 1.00 0.00 C ATOM 275 CD1 PHE A 19 -11.156 -1.847 2.261 1.00 0.00 C ATOM 276 CD2 PHE A 19 -9.219 -1.182 3.482 1.00 0.00 C ATOM 277 CE1 PHE A 19 -11.818 -0.708 2.686 1.00 0.00 C ATOM 278 CE2 PHE A 19 -9.875 -0.043 3.909 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.175 0.193 3.513 1.00 0.00 C ATOM 0 H PHE A 19 -9.194 -6.265 1.684 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.275 -4.470 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.053 -3.172 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.329 -3.478 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.663 -2.550 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.202 -1.362 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.835 -0.524 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.370 0.662 4.553 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.690 1.081 3.849 1.00 0.00 H new ATOM 289 N ALA A 20 -11.457 -5.034 1.567 1.00 0.00 N ATOM 290 CA ALA A 20 -12.860 -5.313 1.291 1.00 0.00 C ATOM 291 C ALA A 20 -13.083 -5.555 -0.201 1.00 0.00 C ATOM 292 O ALA A 20 -14.093 -5.130 -0.767 1.00 0.00 O ATOM 293 CB ALA A 20 -13.732 -4.167 1.792 1.00 0.00 C ATOM 0 H ALA A 20 -10.872 -4.961 0.735 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.144 -6.222 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.778 -4.387 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.596 -4.050 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.446 -3.244 1.287 1.00 0.00 H new ATOM 299 N LYS A 21 -12.125 -6.241 -0.834 1.00 0.00 N ATOM 300 CA LYS A 21 -12.198 -6.544 -2.262 1.00 0.00 C ATOM 301 C LYS A 21 -12.439 -5.274 -3.088 1.00 0.00 C ATOM 302 O LYS A 21 -13.139 -5.300 -4.101 1.00 0.00 O ATOM 303 CB LYS A 21 -13.295 -7.583 -2.527 1.00 0.00 C ATOM 304 CG LYS A 21 -13.206 -8.799 -1.614 1.00 0.00 C ATOM 305 CD LYS A 21 -14.122 -8.661 -0.406 1.00 0.00 C ATOM 306 CE LYS A 21 -14.726 -10.000 -0.005 1.00 0.00 C ATOM 307 NZ LYS A 21 -15.744 -10.473 -0.986 1.00 0.00 N ATOM 0 H LYS A 21 -11.287 -6.597 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.240 -6.961 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.270 -7.112 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.232 -7.911 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.474 -9.695 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.177 -8.928 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.560 -8.249 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.920 -7.954 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.933 -10.743 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.186 -9.909 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.327 -11.216 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.351 -9.677 -1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.265 -10.857 -1.825 1.00 0.00 H new ATOM 321 N GLN A 22 -11.844 -4.164 -2.641 1.00 0.00 N ATOM 322 CA GLN A 22 -11.982 -2.882 -3.328 1.00 0.00 C ATOM 323 C GLN A 22 -11.037 -2.799 -4.525 1.00 0.00 C ATOM 324 O GLN A 22 -10.266 -3.723 -4.779 1.00 0.00 O ATOM 325 CB GLN A 22 -11.692 -1.731 -2.358 1.00 0.00 C ATOM 326 CG GLN A 22 -12.911 -1.272 -1.574 1.00 0.00 C ATOM 327 CD GLN A 22 -13.995 -0.685 -2.463 1.00 0.00 C ATOM 328 OE1 GLN A 22 -15.143 -1.130 -2.433 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.638 0.317 -3.260 1.00 0.00 N ATOM 0 H GLN A 22 -11.262 -4.130 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.007 -2.800 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.917 -2.044 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.292 -0.886 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.320 -2.117 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.606 -0.526 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.676 0.656 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.326 0.747 -3.878 1.00 0.00 H new ATOM 338 N THR A 23 -11.096 -1.684 -5.254 1.00 0.00 N ATOM 339 CA THR A 23 -10.238 -1.492 -6.420 1.00 0.00 C ATOM 340 C THR A 23 -9.144 -0.461 -6.132 1.00 0.00 C ATOM 341 O THR A 23 -7.982 -0.820 -5.944 1.00 0.00 O ATOM 342 CB THR A 23 -11.068 -1.068 -7.637 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.908 0.028 -7.319 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.947 -2.177 -8.177 1.00 0.00 C ATOM 0 H THR A 23 -11.725 -0.905 -5.058 1.00 0.00 H new ATOM 0 HA THR A 23 -9.756 -2.444 -6.644 1.00 0.00 H new ATOM 0 HB THR A 23 -10.339 -0.796 -8.401 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.427 0.283 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.507 -1.811 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.325 -3.019 -8.481 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.642 -2.500 -7.402 1.00 0.00 H new ATOM 352 N SER A 24 -9.520 0.819 -6.098 1.00 0.00 N ATOM 353 CA SER A 24 -8.565 1.895 -5.834 1.00 0.00 C ATOM 354 C SER A 24 -9.104 2.874 -4.793 1.00 0.00 C ATOM 355 O SER A 24 -10.311 2.932 -4.545 1.00 0.00 O ATOM 356 CB SER A 24 -8.238 2.642 -7.131 1.00 0.00 C ATOM 357 OG SER A 24 -9.375 3.319 -7.634 1.00 0.00 O ATOM 0 H SER A 24 -10.478 1.135 -6.250 1.00 0.00 H new ATOM 0 HA SER A 24 -7.655 1.444 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.437 3.358 -6.949 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.872 1.937 -7.877 1.00 0.00 H new ATOM 0 HG SER A 24 -9.137 3.788 -8.461 1.00 0.00 H new ATOM 363 N LEU A 25 -8.198 3.642 -4.185 1.00 0.00 N ATOM 364 CA LEU A 25 -8.578 4.622 -3.166 1.00 0.00 C ATOM 365 C LEU A 25 -7.749 5.903 -3.294 1.00 0.00 C ATOM 366 O LEU A 25 -6.613 5.874 -3.775 1.00 0.00 O ATOM 367 CB LEU A 25 -8.400 4.024 -1.767 1.00 0.00 C ATOM 368 CG LEU A 25 -9.689 3.874 -0.953 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.449 2.627 -1.379 1.00 0.00 C ATOM 370 CD2 LEU A 25 -9.375 3.828 0.537 1.00 0.00 C ATOM 0 H LEU A 25 -7.198 3.604 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.627 4.877 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.935 3.043 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.706 4.651 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.321 4.741 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.361 2.538 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.706 2.701 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.825 1.748 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.302 3.721 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.723 2.979 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.875 4.750 0.832 1.00 0.00 H new ATOM 382 N GLN A 26 -8.324 7.024 -2.854 1.00 0.00 N ATOM 383 CA GLN A 26 -7.647 8.314 -2.913 1.00 0.00 C ATOM 384 C GLN A 26 -7.729 9.033 -1.570 1.00 0.00 C ATOM 385 O GLN A 26 -8.820 9.289 -1.057 1.00 0.00 O ATOM 386 CB GLN A 26 -8.257 9.192 -4.009 1.00 0.00 C ATOM 387 CG GLN A 26 -7.827 8.802 -5.414 1.00 0.00 C ATOM 388 CD GLN A 26 -9.003 8.624 -6.356 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.739 7.641 -6.267 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.188 9.576 -7.263 1.00 0.00 N ATOM 0 H GLN A 26 -9.261 7.061 -2.452 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.598 8.131 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.344 9.138 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.978 10.230 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.160 9.567 -5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.257 7.874 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.554 10.374 -7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.964 9.509 -7.921 1.00 0.00 H new ATOM 399 N LEU A 27 -6.569 9.358 -1.012 1.00 0.00 N ATOM 400 CA LEU A 27 -6.498 10.054 0.267 1.00 0.00 C ATOM 401 C LEU A 27 -6.378 11.558 0.046 1.00 0.00 C ATOM 402 O LEU A 27 -5.617 12.007 -0.814 1.00 0.00 O ATOM 403 CB LEU A 27 -5.304 9.551 1.085 1.00 0.00 C ATOM 404 CG LEU A 27 -5.185 8.027 1.201 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.723 7.612 1.291 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.960 7.520 2.410 1.00 0.00 C ATOM 0 H LEU A 27 -5.661 9.150 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.415 9.849 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.389 9.937 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.369 9.971 2.089 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.616 7.579 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.657 6.527 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.196 7.941 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.268 8.070 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.864 6.436 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.560 7.975 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.012 7.785 2.305 1.00 0.00 H new ATOM 418 N ASP A 28 -7.133 12.333 0.823 1.00 0.00 N ATOM 419 CA ASP A 28 -7.110 13.787 0.707 1.00 0.00 C ATOM 420 C ASP A 28 -6.603 14.430 1.995 1.00 0.00 C ATOM 421 O ASP A 28 -7.235 14.317 3.048 1.00 0.00 O ATOM 422 CB ASP A 28 -8.506 14.318 0.365 1.00 0.00 C ATOM 423 CG ASP A 28 -8.682 14.578 -1.121 1.00 0.00 C ATOM 424 OD1 ASP A 28 -7.738 15.098 -1.749 1.00 0.00 O ATOM 425 OD2 ASP A 28 -9.765 14.262 -1.655 1.00 0.00 O ATOM 0 H ASP A 28 -7.767 11.977 1.538 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.425 14.050 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.256 13.599 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.685 15.241 0.916 1.00 0.00 H new ATOM 430 N GLY A 29 -5.457 15.104 1.901 1.00 0.00 N ATOM 431 CA GLY A 29 -4.875 15.759 3.059 1.00 0.00 C ATOM 432 C GLY A 29 -4.145 17.038 2.695 1.00 0.00 C ATOM 433 O GLY A 29 -3.457 17.094 1.675 1.00 0.00 O ATOM 0 H GLY A 29 -4.921 15.207 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.662 15.985 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.182 15.075 3.549 1.00 0.00 H new ATOM 437 N VAL A 30 -4.296 18.066 3.531 1.00 0.00 N ATOM 438 CA VAL A 30 -3.644 19.355 3.295 1.00 0.00 C ATOM 439 C VAL A 30 -2.123 19.230 3.378 1.00 0.00 C ATOM 440 O VAL A 30 -1.400 19.810 2.567 1.00 0.00 O ATOM 441 CB VAL A 30 -4.126 20.439 4.290 1.00 0.00 C ATOM 442 CG1 VAL A 30 -5.597 20.757 4.060 1.00 0.00 C ATOM 443 CG2 VAL A 30 -3.887 20.007 5.733 1.00 0.00 C ATOM 0 H VAL A 30 -4.864 18.031 4.378 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.924 19.663 2.288 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.544 21.343 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.919 21.521 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.735 21.124 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.191 19.855 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.235 20.788 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.433 19.085 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.822 19.839 5.891 1.00 0.00 H new ATOM 453 N VAL A 31 -1.644 18.464 4.361 1.00 0.00 N ATOM 454 CA VAL A 31 -0.214 18.250 4.550 1.00 0.00 C ATOM 455 C VAL A 31 0.065 16.821 5.021 1.00 0.00 C ATOM 456 O VAL A 31 0.404 16.592 6.184 1.00 0.00 O ATOM 457 CB VAL A 31 0.385 19.249 5.569 1.00 0.00 C ATOM 458 CG1 VAL A 31 1.903 19.133 5.604 1.00 0.00 C ATOM 459 CG2 VAL A 31 -0.038 20.676 5.247 1.00 0.00 C ATOM 0 H VAL A 31 -2.232 17.981 5.040 1.00 0.00 H new ATOM 0 HA VAL A 31 0.261 18.414 3.583 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.002 18.998 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.306 19.843 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.184 18.121 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.308 19.352 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.396 21.358 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.311 20.943 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.125 20.750 5.283 1.00 0.00 H new ATOM 469 N PRO A 32 -0.073 15.834 4.113 1.00 0.00 N ATOM 470 CA PRO A 32 0.167 14.425 4.432 1.00 0.00 C ATOM 471 C PRO A 32 1.653 14.044 4.393 1.00 0.00 C ATOM 472 O PRO A 32 2.000 12.871 4.551 1.00 0.00 O ATOM 473 CB PRO A 32 -0.601 13.694 3.333 1.00 0.00 C ATOM 474 CG PRO A 32 -0.536 14.609 2.156 1.00 0.00 C ATOM 475 CD PRO A 32 -0.472 16.015 2.703 1.00 0.00 C ATOM 0 HA PRO A 32 -0.150 14.178 5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.149 12.728 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.632 13.503 3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.340 14.391 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.410 14.481 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.251 16.622 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.435 16.518 2.623 1.00 0.00 H new ATOM 483 N THR A 33 2.525 15.035 4.184 1.00 0.00 N ATOM 484 CA THR A 33 3.965 14.795 4.125 1.00 0.00 C ATOM 485 C THR A 33 4.493 14.307 5.475 1.00 0.00 C ATOM 486 O THR A 33 3.799 14.389 6.492 1.00 0.00 O ATOM 487 CB THR A 33 4.704 16.072 3.708 1.00 0.00 C ATOM 488 OG1 THR A 33 3.825 16.984 3.064 1.00 0.00 O ATOM 489 CG2 THR A 33 5.863 15.816 2.769 1.00 0.00 C ATOM 0 H THR A 33 2.256 16.010 4.053 1.00 0.00 H new ATOM 0 HA THR A 33 4.146 14.020 3.381 1.00 0.00 H new ATOM 0 HB THR A 33 5.092 16.489 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.320 17.791 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.341 16.762 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.588 15.163 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.496 15.339 1.860 1.00 0.00 H new ATOM 497 N GLY A 34 5.722 13.791 5.477 1.00 0.00 N ATOM 498 CA GLY A 34 6.322 13.289 6.704 1.00 0.00 C ATOM 499 C GLY A 34 6.181 11.781 6.847 1.00 0.00 C ATOM 500 O GLY A 34 7.024 11.129 7.464 1.00 0.00 O ATOM 0 H GLY A 34 6.313 13.712 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.379 13.555 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.855 13.777 7.559 1.00 0.00 H new ATOM 504 N THR A 35 5.111 11.230 6.272 1.00 0.00 N ATOM 505 CA THR A 35 4.849 9.794 6.327 1.00 0.00 C ATOM 506 C THR A 35 5.627 9.052 5.235 1.00 0.00 C ATOM 507 O THR A 35 6.033 9.650 4.238 1.00 0.00 O ATOM 508 CB THR A 35 3.344 9.541 6.172 1.00 0.00 C ATOM 509 OG1 THR A 35 2.612 10.255 7.155 1.00 0.00 O ATOM 510 CG2 THR A 35 2.956 8.080 6.285 1.00 0.00 C ATOM 0 H THR A 35 4.408 11.763 5.760 1.00 0.00 H new ATOM 0 HA THR A 35 5.183 9.415 7.293 1.00 0.00 H new ATOM 0 HB THR A 35 3.102 9.883 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.654 10.083 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.877 7.980 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.462 7.508 5.508 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.249 7.700 7.264 1.00 0.00 H new ATOM 518 N ASN A 36 5.830 7.748 5.431 1.00 0.00 N ATOM 519 CA ASN A 36 6.557 6.922 4.463 1.00 0.00 C ATOM 520 C ASN A 36 5.789 5.634 4.159 1.00 0.00 C ATOM 521 O ASN A 36 4.699 5.414 4.693 1.00 0.00 O ATOM 522 CB ASN A 36 7.966 6.597 4.983 1.00 0.00 C ATOM 523 CG ASN A 36 8.005 6.346 6.483 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.371 7.226 7.258 1.00 0.00 O ATOM 525 ND2 ASN A 36 7.628 5.142 6.898 1.00 0.00 N ATOM 0 H ASN A 36 5.501 7.240 6.252 1.00 0.00 H new ATOM 0 HA ASN A 36 6.651 7.489 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.345 5.717 4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.635 7.422 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.636 4.920 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.331 4.439 6.221 1.00 0.00 H new ATOM 532 N LEU A 37 6.354 4.785 3.292 1.00 0.00 N ATOM 533 CA LEU A 37 5.710 3.523 2.915 1.00 0.00 C ATOM 534 C LEU A 37 5.344 2.694 4.141 1.00 0.00 C ATOM 535 O LEU A 37 4.220 2.209 4.251 1.00 0.00 O ATOM 536 CB LEU A 37 6.618 2.706 1.993 1.00 0.00 C ATOM 537 CG LEU A 37 5.937 1.531 1.279 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.490 1.374 -0.130 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.113 0.242 2.075 1.00 0.00 C ATOM 0 H LEU A 37 7.253 4.949 2.840 1.00 0.00 H new ATOM 0 HA LEU A 37 4.792 3.774 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.039 3.373 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.452 2.320 2.580 1.00 0.00 H new ATOM 0 HG LEU A 37 4.870 1.742 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.997 0.536 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.307 2.287 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.563 1.186 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.623 -0.579 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.175 0.022 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.667 0.360 3.062 1.00 0.00 H new ATOM 551 N ASN A 38 6.298 2.537 5.058 1.00 0.00 N ATOM 552 CA ASN A 38 6.066 1.768 6.282 1.00 0.00 C ATOM 553 C ASN A 38 4.823 2.278 7.002 1.00 0.00 C ATOM 554 O ASN A 38 4.057 1.497 7.569 1.00 0.00 O ATOM 555 CB ASN A 38 7.282 1.853 7.207 1.00 0.00 C ATOM 556 CG ASN A 38 7.765 0.483 7.641 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.331 -0.043 8.663 1.00 0.00 O ATOM 558 ND2 ASN A 38 8.667 -0.104 6.859 1.00 0.00 N ATOM 0 H ASN A 38 7.236 2.930 4.978 1.00 0.00 H new ATOM 0 HA ASN A 38 5.909 0.725 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.090 2.377 6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.027 2.443 8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.026 -1.028 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.000 0.370 6.019 1.00 0.00 H new ATOM 565 N GLY A 39 4.618 3.593 6.951 1.00 0.00 N ATOM 566 CA GLY A 39 3.459 4.196 7.575 1.00 0.00 C ATOM 567 C GLY A 39 2.208 4.042 6.728 1.00 0.00 C ATOM 568 O GLY A 39 1.104 3.943 7.262 1.00 0.00 O ATOM 0 H GLY A 39 5.241 4.252 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.294 3.739 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.651 5.255 7.748 1.00 0.00 H new ATOM 572 N LEU A 40 2.382 4.012 5.402 1.00 0.00 N ATOM 573 CA LEU A 40 1.253 3.861 4.483 1.00 0.00 C ATOM 574 C LEU A 40 0.619 2.478 4.628 1.00 0.00 C ATOM 575 O LEU A 40 -0.596 2.359 4.807 1.00 0.00 O ATOM 576 CB LEU A 40 1.709 4.085 3.033 1.00 0.00 C ATOM 577 CG LEU A 40 0.622 4.568 2.062 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.487 3.534 1.932 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.057 5.908 2.512 1.00 0.00 C ATOM 0 H LEU A 40 3.290 4.090 4.945 1.00 0.00 H new ATOM 0 HA LEU A 40 0.505 4.612 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.519 4.814 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.122 3.151 2.652 1.00 0.00 H new ATOM 0 HG LEU A 40 1.078 4.700 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.245 3.899 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.071 2.600 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.940 3.362 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.712 6.233 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.379 5.804 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.857 6.648 2.542 1.00 0.00 H new ATOM 591 N VAL A 41 1.449 1.438 4.555 1.00 0.00 N ATOM 592 CA VAL A 41 0.963 0.063 4.684 1.00 0.00 C ATOM 593 C VAL A 41 0.308 -0.157 6.041 1.00 0.00 C ATOM 594 O VAL A 41 -0.859 -0.533 6.117 1.00 0.00 O ATOM 595 CB VAL A 41 2.080 -0.991 4.484 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.226 -1.335 3.008 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.411 -0.527 5.065 1.00 0.00 C ATOM 0 H VAL A 41 2.455 1.519 4.408 1.00 0.00 H new ATOM 0 HA VAL A 41 0.229 -0.072 3.890 1.00 0.00 H new ATOM 0 HB VAL A 41 1.787 -1.889 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.015 -2.077 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.285 -1.739 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.482 -0.435 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.166 -1.296 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.721 0.395 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.299 -0.348 6.134 1.00 0.00 H new ATOM 607 N GLN A 42 1.060 0.091 7.113 1.00 0.00 N ATOM 608 CA GLN A 42 0.541 -0.074 8.470 1.00 0.00 C ATOM 609 C GLN A 42 -0.775 0.692 8.661 1.00 0.00 C ATOM 610 O GLN A 42 -1.621 0.294 9.463 1.00 0.00 O ATOM 611 CB GLN A 42 1.579 0.399 9.491 1.00 0.00 C ATOM 612 CG GLN A 42 2.348 -0.738 10.148 1.00 0.00 C ATOM 613 CD GLN A 42 2.424 -0.600 11.657 1.00 0.00 C ATOM 614 OE1 GLN A 42 1.715 -1.290 12.390 1.00 0.00 O ATOM 615 NE2 GLN A 42 3.285 0.295 12.129 1.00 0.00 N ATOM 0 H GLN A 42 2.029 0.406 7.068 1.00 0.00 H new ATOM 0 HA GLN A 42 0.339 -1.134 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.285 1.066 8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.077 0.982 10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.871 -1.686 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.358 -0.772 9.739 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.853 0.845 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.378 0.432 13.136 1.00 0.00 H new ATOM 624 N LEU A 43 -0.938 1.791 7.920 1.00 0.00 N ATOM 625 CA LEU A 43 -2.145 2.612 8.004 1.00 0.00 C ATOM 626 C LEU A 43 -3.341 1.945 7.310 1.00 0.00 C ATOM 627 O LEU A 43 -4.489 2.194 7.681 1.00 0.00 O ATOM 628 CB LEU A 43 -1.881 3.993 7.391 1.00 0.00 C ATOM 629 CG LEU A 43 -3.068 4.962 7.400 1.00 0.00 C ATOM 630 CD1 LEU A 43 -3.342 5.468 8.809 1.00 0.00 C ATOM 631 CD2 LEU A 43 -2.806 6.127 6.456 1.00 0.00 C ATOM 0 H LEU A 43 -0.246 2.132 7.253 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.398 2.723 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.053 4.456 7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.555 3.856 6.360 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.952 4.426 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.189 6.154 8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.572 4.625 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.462 5.988 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.657 6.807 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.910 6.659 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.663 5.750 5.443 1.00 0.00 H new ATOM 643 N LEU A 44 -3.078 1.105 6.304 1.00 0.00 N ATOM 644 CA LEU A 44 -4.157 0.428 5.578 1.00 0.00 C ATOM 645 C LEU A 44 -4.405 -0.988 6.105 1.00 0.00 C ATOM 646 O LEU A 44 -5.553 -1.419 6.188 1.00 0.00 O ATOM 647 CB LEU A 44 -3.879 0.410 4.067 1.00 0.00 C ATOM 648 CG LEU A 44 -2.770 -0.536 3.590 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.297 -1.957 3.439 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.184 -0.042 2.273 1.00 0.00 C ATOM 0 H LEU A 44 -2.139 0.879 5.977 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.068 1.001 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.802 0.142 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.623 1.422 3.754 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.981 -0.545 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.492 -2.609 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.670 -2.311 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.106 -1.969 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.398 -0.723 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.969 -0.004 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.766 0.955 2.412 1.00 0.00 H new ATOM 662 N LYS A 45 -3.341 -1.711 6.458 1.00 0.00 N ATOM 663 CA LYS A 45 -3.495 -3.073 6.966 1.00 0.00 C ATOM 664 C LYS A 45 -3.794 -3.079 8.468 1.00 0.00 C ATOM 665 O LYS A 45 -4.910 -3.383 8.876 1.00 0.00 O ATOM 666 CB LYS A 45 -2.261 -3.935 6.648 1.00 0.00 C ATOM 667 CG LYS A 45 -0.928 -3.206 6.715 1.00 0.00 C ATOM 668 CD LYS A 45 0.186 -4.124 7.195 1.00 0.00 C ATOM 669 CE LYS A 45 1.526 -3.407 7.235 1.00 0.00 C ATOM 670 NZ LYS A 45 2.467 -3.930 6.204 1.00 0.00 N ATOM 0 H LYS A 45 -2.377 -1.382 6.403 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.350 -3.514 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.234 -4.773 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.378 -4.354 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.677 -2.812 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.012 -2.352 7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.055 -4.500 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.255 -4.989 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.371 -2.340 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.970 -3.522 8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.330 -3.350 6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.714 -4.915 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.014 -3.891 5.269 1.00 0.00 H new ATOM 684 N THR A 46 -2.802 -2.737 9.290 1.00 0.00 N ATOM 685 CA THR A 46 -2.987 -2.710 10.745 1.00 0.00 C ATOM 686 C THR A 46 -4.195 -1.854 11.152 1.00 0.00 C ATOM 687 O THR A 46 -4.761 -2.052 12.229 1.00 0.00 O ATOM 688 CB THR A 46 -1.720 -2.196 11.436 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.566 -2.813 10.889 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.706 -2.444 12.930 1.00 0.00 C ATOM 0 H THR A 46 -1.867 -2.476 8.978 1.00 0.00 H new ATOM 0 HA THR A 46 -3.182 -3.733 11.067 1.00 0.00 H new ATOM 0 HB THR A 46 -1.715 -1.120 11.264 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.236 -2.426 11.297 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.781 -2.055 13.355 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.556 -1.941 13.390 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.771 -3.515 13.122 1.00 0.00 H new ATOM 698 N ASN A 47 -4.580 -0.900 10.301 1.00 0.00 N ATOM 699 CA ASN A 47 -5.711 -0.022 10.597 1.00 0.00 C ATOM 700 C ASN A 47 -6.982 -0.419 9.834 1.00 0.00 C ATOM 701 O ASN A 47 -8.087 -0.072 10.257 1.00 0.00 O ATOM 702 CB ASN A 47 -5.343 1.429 10.276 1.00 0.00 C ATOM 703 CG ASN A 47 -5.384 2.320 11.503 1.00 0.00 C ATOM 704 OD1 ASN A 47 -6.454 2.610 12.037 1.00 0.00 O ATOM 705 ND2 ASN A 47 -4.216 2.758 11.960 1.00 0.00 N ATOM 0 H ASN A 47 -4.127 -0.717 9.406 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.928 -0.126 11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.344 1.460 9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.030 1.818 9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -4.183 3.359 12.784 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.352 2.494 11.487 1.00 0.00 H new ATOM 712 N TYR A 48 -6.836 -1.125 8.706 1.00 0.00 N ATOM 713 CA TYR A 48 -8.000 -1.529 7.908 1.00 0.00 C ATOM 714 C TYR A 48 -7.779 -2.872 7.200 1.00 0.00 C ATOM 715 O TYR A 48 -8.014 -2.997 5.994 1.00 0.00 O ATOM 716 CB TYR A 48 -8.320 -0.444 6.873 1.00 0.00 C ATOM 717 CG TYR A 48 -9.368 0.549 7.322 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.686 0.160 7.521 1.00 0.00 C ATOM 719 CD2 TYR A 48 -9.039 1.882 7.534 1.00 0.00 C ATOM 720 CE1 TYR A 48 -11.647 1.069 7.917 1.00 0.00 C ATOM 721 CE2 TYR A 48 -9.994 2.798 7.928 1.00 0.00 C ATOM 722 CZ TYR A 48 -11.296 2.386 8.121 1.00 0.00 C ATOM 723 OH TYR A 48 -12.250 3.297 8.509 1.00 0.00 O ATOM 0 H TYR A 48 -5.937 -1.425 8.329 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.840 -1.653 8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.404 0.095 6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.659 -0.922 5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.964 -0.872 7.363 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.019 2.207 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.668 0.750 8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.723 3.832 8.084 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.837 4.180 8.610 1.00 0.00 H new ATOM 733 N VAL A 49 -7.340 -3.880 7.950 1.00 0.00 N ATOM 734 CA VAL A 49 -7.102 -5.208 7.384 1.00 0.00 C ATOM 735 C VAL A 49 -8.270 -6.148 7.683 1.00 0.00 C ATOM 736 O VAL A 49 -8.622 -6.369 8.841 1.00 0.00 O ATOM 737 CB VAL A 49 -5.788 -5.840 7.909 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.821 -6.012 9.424 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.516 -7.172 7.222 1.00 0.00 C ATOM 0 H VAL A 49 -7.142 -3.805 8.948 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.010 -5.073 6.306 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.973 -5.157 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.885 -6.458 9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.950 -5.039 9.898 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.651 -6.662 9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.589 -7.597 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.339 -7.858 7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.425 -7.015 6.147 1.00 0.00 H new ATOM 749 N LYS A 50 -8.862 -6.699 6.625 1.00 0.00 N ATOM 750 CA LYS A 50 -9.987 -7.619 6.770 1.00 0.00 C ATOM 751 C LYS A 50 -9.527 -9.071 6.622 1.00 0.00 C ATOM 752 O LYS A 50 -10.268 -9.923 6.126 1.00 0.00 O ATOM 753 CB LYS A 50 -11.071 -7.293 5.741 1.00 0.00 C ATOM 754 CG LYS A 50 -12.251 -6.543 6.328 1.00 0.00 C ATOM 755 CD LYS A 50 -13.573 -7.074 5.794 1.00 0.00 C ATOM 756 CE LYS A 50 -14.722 -6.779 6.746 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.776 -7.831 6.690 1.00 0.00 N ATOM 0 H LYS A 50 -8.582 -6.524 5.660 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.404 -7.497 7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.634 -6.698 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.426 -8.220 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.235 -6.631 7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.162 -5.482 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.780 -6.625 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.497 -8.150 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.339 -6.703 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.160 -5.813 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.541 -7.592 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.160 -7.887 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.364 -8.749 6.952 1.00 0.00 H new ATOM 771 N GLU A 51 -8.302 -9.340 7.065 1.00 0.00 N ATOM 772 CA GLU A 51 -7.729 -10.678 6.994 1.00 0.00 C ATOM 773 C GLU A 51 -6.565 -10.806 7.983 1.00 0.00 C ATOM 774 O GLU A 51 -6.443 -10.001 8.907 1.00 0.00 O ATOM 775 CB GLU A 51 -7.259 -10.974 5.563 1.00 0.00 C ATOM 776 CG GLU A 51 -7.602 -12.377 5.081 1.00 0.00 C ATOM 777 CD GLU A 51 -9.043 -12.503 4.621 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.437 -11.765 3.692 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.775 -13.340 5.189 1.00 0.00 O ATOM 0 H GLU A 51 -7.684 -8.642 7.480 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.493 -11.407 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.708 -10.247 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.179 -10.835 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.938 -12.647 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.419 -13.088 5.886 1.00 0.00 H new ATOM 786 N ARG A 52 -5.710 -11.811 7.786 1.00 0.00 N ATOM 787 CA ARG A 52 -4.564 -12.026 8.664 1.00 0.00 C ATOM 788 C ARG A 52 -3.346 -11.242 8.173 1.00 0.00 C ATOM 789 O ARG A 52 -2.760 -11.581 7.148 1.00 0.00 O ATOM 790 CB ARG A 52 -4.215 -13.518 8.746 1.00 0.00 C ATOM 791 CG ARG A 52 -4.954 -14.272 9.841 1.00 0.00 C ATOM 792 CD ARG A 52 -4.300 -15.617 10.119 1.00 0.00 C ATOM 793 NE ARG A 52 -4.922 -16.312 11.247 1.00 0.00 N ATOM 794 CZ ARG A 52 -4.684 -16.020 12.528 1.00 0.00 C ATOM 795 NH1 ARG A 52 -3.832 -15.049 12.852 1.00 0.00 N ATOM 796 NH2 ARG A 52 -5.297 -16.705 13.486 1.00 0.00 N ATOM 0 H ARG A 52 -5.791 -12.487 7.026 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.837 -11.669 9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.436 -13.985 7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.142 -13.620 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.966 -13.675 10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.992 -14.423 9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.366 -16.242 9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.240 -15.468 10.326 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.578 -17.066 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.356 -14.523 12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.655 -14.832 13.833 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.948 -17.452 13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.117 -16.484 14.466 1.00 0.00 H new ATOM 810 N PRO A 53 -2.940 -10.184 8.906 1.00 0.00 N ATOM 811 CA PRO A 53 -1.775 -9.364 8.541 1.00 0.00 C ATOM 812 C PRO A 53 -0.539 -10.200 8.208 1.00 0.00 C ATOM 813 O PRO A 53 0.294 -9.787 7.402 1.00 0.00 O ATOM 814 CB PRO A 53 -1.523 -8.535 9.798 1.00 0.00 C ATOM 815 CG PRO A 53 -2.859 -8.419 10.443 1.00 0.00 C ATOM 816 CD PRO A 53 -3.574 -9.711 10.152 1.00 0.00 C ATOM 0 HA PRO A 53 -1.965 -8.774 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.805 -9.023 10.457 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.115 -7.555 9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.761 -8.261 11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.412 -7.569 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.451 -10.429 10.963 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.645 -9.556 10.023 1.00 0.00 H new ATOM 824 N ASP A 54 -0.424 -11.371 8.835 1.00 0.00 N ATOM 825 CA ASP A 54 0.716 -12.260 8.606 1.00 0.00 C ATOM 826 C ASP A 54 0.739 -12.815 7.179 1.00 0.00 C ATOM 827 O ASP A 54 1.766 -13.322 6.728 1.00 0.00 O ATOM 828 CB ASP A 54 0.694 -13.420 9.606 1.00 0.00 C ATOM 829 CG ASP A 54 1.510 -13.127 10.849 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.752 -13.036 10.735 1.00 0.00 O ATOM 831 OD2 ASP A 54 0.910 -12.986 11.934 1.00 0.00 O ATOM 0 H ASP A 54 -1.106 -11.726 9.505 1.00 0.00 H new ATOM 0 HA ASP A 54 1.619 -11.666 8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.337 -13.630 9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.080 -14.318 9.125 1.00 0.00 H new ATOM 836 N LEU A 55 -0.390 -12.735 6.472 1.00 0.00 N ATOM 837 CA LEU A 55 -0.466 -13.248 5.105 1.00 0.00 C ATOM 838 C LEU A 55 0.127 -12.268 4.088 1.00 0.00 C ATOM 839 O LEU A 55 0.400 -12.650 2.950 1.00 0.00 O ATOM 840 CB LEU A 55 -1.914 -13.598 4.736 1.00 0.00 C ATOM 841 CG LEU A 55 -2.841 -12.406 4.471 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.906 -12.097 2.988 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.236 -12.686 5.012 1.00 0.00 C ATOM 0 H LEU A 55 -1.256 -12.324 6.820 1.00 0.00 H new ATOM 0 HA LEU A 55 0.135 -14.157 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.900 -14.228 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.341 -14.194 5.543 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.434 -11.537 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.569 -11.248 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.908 -11.855 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.288 -12.966 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.881 -11.830 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.646 -13.569 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.181 -12.860 6.087 1.00 0.00 H new ATOM 855 N LEU A 56 0.331 -11.010 4.491 1.00 0.00 N ATOM 856 CA LEU A 56 0.894 -10.010 3.582 1.00 0.00 C ATOM 857 C LEU A 56 2.324 -9.643 3.963 1.00 0.00 C ATOM 858 O LEU A 56 3.208 -9.626 3.108 1.00 0.00 O ATOM 859 CB LEU A 56 0.036 -8.740 3.527 1.00 0.00 C ATOM 860 CG LEU A 56 -0.592 -8.286 4.846 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.888 -6.794 4.808 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.863 -9.075 5.134 1.00 0.00 C ATOM 0 H LEU A 56 0.118 -10.664 5.427 1.00 0.00 H new ATOM 0 HA LEU A 56 0.901 -10.467 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.653 -7.927 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.764 -8.899 2.804 1.00 0.00 H new ATOM 0 HG LEU A 56 0.120 -8.477 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.334 -6.487 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.039 -6.243 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.581 -6.581 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.295 -8.738 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.580 -8.916 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.625 -10.136 5.204 1.00 0.00 H new ATOM 874 N VAL A 57 2.550 -9.338 5.241 1.00 0.00 N ATOM 875 CA VAL A 57 3.883 -8.961 5.710 1.00 0.00 C ATOM 876 C VAL A 57 4.907 -10.047 5.410 1.00 0.00 C ATOM 877 O VAL A 57 4.586 -11.238 5.394 1.00 0.00 O ATOM 878 CB VAL A 57 3.913 -8.657 7.222 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.361 -7.266 7.496 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.149 -9.715 8.004 1.00 0.00 C ATOM 0 H VAL A 57 1.832 -9.344 5.966 1.00 0.00 H new ATOM 0 HA VAL A 57 4.141 -8.052 5.167 1.00 0.00 H new ATOM 0 HB VAL A 57 4.950 -8.683 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.389 -7.068 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.966 -6.525 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.331 -7.207 7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.185 -9.478 9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.111 -9.735 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.603 -10.691 7.834 1.00 0.00 H new ATOM 890 N ASP A 58 6.141 -9.622 5.172 1.00 0.00 N ATOM 891 CA ASP A 58 7.230 -10.545 4.869 1.00 0.00 C ATOM 892 C ASP A 58 7.635 -11.336 6.110 1.00 0.00 C ATOM 893 O ASP A 58 7.553 -12.565 6.125 1.00 0.00 O ATOM 894 CB ASP A 58 8.432 -9.779 4.309 1.00 0.00 C ATOM 895 CG ASP A 58 9.572 -10.692 3.898 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.300 -11.792 3.369 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.742 -10.307 4.104 1.00 0.00 O ATOM 0 H ASP A 58 6.415 -8.639 5.183 1.00 0.00 H new ATOM 0 HA ASP A 58 6.881 -11.251 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.114 -9.192 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.790 -9.074 5.060 1.00 0.00 H new ATOM 902 N GLN A 59 8.059 -10.624 7.155 1.00 0.00 N ATOM 903 CA GLN A 59 8.463 -11.267 8.404 1.00 0.00 C ATOM 904 C GLN A 59 8.501 -10.266 9.553 1.00 0.00 C ATOM 905 O GLN A 59 7.836 -10.459 10.571 1.00 0.00 O ATOM 906 CB GLN A 59 9.828 -11.945 8.247 1.00 0.00 C ATOM 907 CG GLN A 59 10.198 -12.856 9.408 1.00 0.00 C ATOM 908 CD GLN A 59 9.937 -14.323 9.113 1.00 0.00 C ATOM 909 OE1 GLN A 59 9.060 -14.942 9.714 1.00 0.00 O ATOM 910 NE2 GLN A 59 10.702 -14.888 8.183 1.00 0.00 N ATOM 0 H GLN A 59 8.131 -9.607 7.161 1.00 0.00 H new ATOM 0 HA GLN A 59 7.719 -12.028 8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.830 -12.527 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.595 -11.177 8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 59 11.253 -12.721 9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.630 -12.561 10.290 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.418 -14.338 7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.572 -15.871 7.944 1.00 0.00 H new ATOM 919 N THR A 60 9.277 -9.198 9.385 1.00 0.00 N ATOM 920 CA THR A 60 9.387 -8.164 10.414 1.00 0.00 C ATOM 921 C THR A 60 8.025 -7.536 10.715 1.00 0.00 C ATOM 922 O THR A 60 7.830 -6.941 11.776 1.00 0.00 O ATOM 923 CB THR A 60 10.379 -7.078 9.985 1.00 0.00 C ATOM 924 OG1 THR A 60 10.220 -6.757 8.611 1.00 0.00 O ATOM 925 CG2 THR A 60 11.826 -7.468 10.212 1.00 0.00 C ATOM 0 H THR A 60 9.837 -9.025 8.550 1.00 0.00 H new ATOM 0 HA THR A 60 9.755 -8.641 11.323 1.00 0.00 H new ATOM 0 HB THR A 60 10.152 -6.216 10.612 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.286 -6.897 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.477 -6.656 9.888 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.989 -7.662 11.272 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.055 -8.367 9.640 1.00 0.00 H new ATOM 933 N GLY A 61 7.090 -7.662 9.770 1.00 0.00 N ATOM 934 CA GLY A 61 5.768 -7.094 9.943 1.00 0.00 C ATOM 935 C GLY A 61 5.711 -5.648 9.490 1.00 0.00 C ATOM 936 O GLY A 61 4.831 -4.892 9.906 1.00 0.00 O ATOM 0 H GLY A 61 7.231 -8.151 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.044 -7.681 9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.480 -7.158 10.992 1.00 0.00 H new ATOM 940 N GLN A 62 6.658 -5.269 8.633 1.00 0.00 N ATOM 941 CA GLN A 62 6.733 -3.906 8.114 1.00 0.00 C ATOM 942 C GLN A 62 6.719 -3.901 6.585 1.00 0.00 C ATOM 943 O GLN A 62 5.982 -3.135 5.964 1.00 0.00 O ATOM 944 CB GLN A 62 7.990 -3.205 8.645 1.00 0.00 C ATOM 945 CG GLN A 62 9.293 -3.715 8.041 1.00 0.00 C ATOM 946 CD GLN A 62 10.527 -3.126 8.702 1.00 0.00 C ATOM 947 OE1 GLN A 62 10.434 -2.188 9.495 1.00 0.00 O ATOM 948 NE2 GLN A 62 11.694 -3.673 8.378 1.00 0.00 N ATOM 0 H GLN A 62 7.387 -5.891 8.283 1.00 0.00 H new ATOM 0 HA GLN A 62 5.856 -3.359 8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.906 -2.136 8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.031 -3.329 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.326 -4.801 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.310 -3.479 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.727 -4.449 7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.556 -3.317 8.791 1.00 0.00 H new ATOM 957 N THR A 63 7.530 -4.775 5.990 1.00 0.00 N ATOM 958 CA THR A 63 7.607 -4.891 4.540 1.00 0.00 C ATOM 959 C THR A 63 6.815 -6.110 4.079 1.00 0.00 C ATOM 960 O THR A 63 6.973 -7.199 4.629 1.00 0.00 O ATOM 961 CB THR A 63 9.070 -4.994 4.084 1.00 0.00 C ATOM 962 OG1 THR A 63 9.152 -5.083 2.672 1.00 0.00 O ATOM 963 CG2 THR A 63 9.808 -6.186 4.663 1.00 0.00 C ATOM 0 H THR A 63 8.144 -5.414 6.495 1.00 0.00 H new ATOM 0 HA THR A 63 7.175 -3.997 4.090 1.00 0.00 H new ATOM 0 HB THR A 63 9.545 -4.085 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.847 -4.474 2.346 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.834 -6.192 4.296 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.812 -6.118 5.751 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.309 -7.106 4.359 1.00 0.00 H new ATOM 971 N LEU A 64 5.956 -5.920 3.078 1.00 0.00 N ATOM 972 CA LEU A 64 5.135 -7.013 2.563 1.00 0.00 C ATOM 973 C LEU A 64 5.998 -8.084 1.899 1.00 0.00 C ATOM 974 O LEU A 64 7.109 -7.806 1.442 1.00 0.00 O ATOM 975 CB LEU A 64 4.099 -6.489 1.564 1.00 0.00 C ATOM 976 CG LEU A 64 2.941 -5.679 2.162 1.00 0.00 C ATOM 977 CD1 LEU A 64 1.727 -5.752 1.253 1.00 0.00 C ATOM 978 CD2 LEU A 64 2.583 -6.172 3.562 1.00 0.00 C ATOM 0 H LEU A 64 5.812 -5.025 2.611 1.00 0.00 H new ATOM 0 HA LEU A 64 4.615 -7.462 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.612 -5.866 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.682 -7.339 1.024 1.00 0.00 H new ATOM 0 HG LEU A 64 3.264 -4.641 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.912 -5.174 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.980 -5.344 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.416 -6.791 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.759 -5.578 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.284 -7.219 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.449 -6.072 4.216 1.00 0.00 H new ATOM 990 N ARG A 65 5.475 -9.309 1.856 1.00 0.00 N ATOM 991 CA ARG A 65 6.189 -10.435 1.252 1.00 0.00 C ATOM 992 C ARG A 65 6.639 -10.108 -0.177 1.00 0.00 C ATOM 993 O ARG A 65 5.928 -9.424 -0.917 1.00 0.00 O ATOM 994 CB ARG A 65 5.311 -11.692 1.250 1.00 0.00 C ATOM 995 CG ARG A 65 3.985 -11.521 0.521 1.00 0.00 C ATOM 996 CD ARG A 65 3.467 -12.848 -0.015 1.00 0.00 C ATOM 997 NE ARG A 65 2.476 -13.454 0.875 1.00 0.00 N ATOM 998 CZ ARG A 65 1.637 -14.426 0.508 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.661 -14.910 -0.731 1.00 0.00 N ATOM 1000 NH2 ARG A 65 0.769 -14.919 1.387 1.00 0.00 N ATOM 0 H ARG A 65 4.558 -9.548 2.233 1.00 0.00 H new ATOM 0 HA ARG A 65 7.077 -10.623 1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.865 -12.509 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.112 -11.985 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.249 -11.089 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.110 -10.819 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.023 -12.692 -0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.302 -13.535 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 65 2.423 -13.113 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.325 -14.539 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.016 -15.652 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.745 -14.555 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.127 -15.661 1.109 1.00 0.00 H new ATOM 1014 N PRO A 66 7.830 -10.601 -0.582 1.00 0.00 N ATOM 1015 CA PRO A 66 8.382 -10.370 -1.926 1.00 0.00 C ATOM 1016 C PRO A 66 7.400 -10.717 -3.041 1.00 0.00 C ATOM 1017 O PRO A 66 7.393 -10.075 -4.091 1.00 0.00 O ATOM 1018 CB PRO A 66 9.591 -11.305 -1.980 1.00 0.00 C ATOM 1019 CG PRO A 66 10.002 -11.473 -0.560 1.00 0.00 C ATOM 1020 CD PRO A 66 8.732 -11.429 0.245 1.00 0.00 C ATOM 0 HA PRO A 66 8.623 -9.318 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.332 -12.262 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.396 -10.877 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.524 -12.418 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.685 -10.681 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.325 -12.427 0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.895 -10.987 1.228 1.00 0.00 H new ATOM 1028 N GLY A 67 6.571 -11.735 -2.801 1.00 0.00 N ATOM 1029 CA GLY A 67 5.586 -12.158 -3.786 1.00 0.00 C ATOM 1030 C GLY A 67 4.763 -11.002 -4.335 1.00 0.00 C ATOM 1031 O GLY A 67 4.405 -10.999 -5.514 1.00 0.00 O ATOM 0 H GLY A 67 6.565 -12.276 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.095 -12.658 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.918 -12.890 -3.333 1.00 0.00 H new ATOM 1035 N ILE A 68 4.465 -10.018 -3.485 1.00 0.00 N ATOM 1036 CA ILE A 68 3.686 -8.857 -3.906 1.00 0.00 C ATOM 1037 C ILE A 68 4.580 -7.822 -4.586 1.00 0.00 C ATOM 1038 O ILE A 68 5.455 -7.230 -3.950 1.00 0.00 O ATOM 1039 CB ILE A 68 2.965 -8.189 -2.712 1.00 0.00 C ATOM 1040 CG1 ILE A 68 2.099 -9.207 -1.965 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.117 -7.017 -3.189 1.00 0.00 C ATOM 1042 CD1 ILE A 68 2.071 -8.985 -0.469 1.00 0.00 C ATOM 0 H ILE A 68 4.751 -10.003 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 68 2.938 -9.218 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 68 3.721 -7.812 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.081 -9.160 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.472 -10.211 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.617 -6.559 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.756 -6.279 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.370 -7.373 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.440 -9.740 -0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.083 -9.060 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.670 -7.994 -0.256 1.00 0.00 H new ATOM 1054 N LEU A 69 4.351 -7.601 -5.879 1.00 0.00 N ATOM 1055 CA LEU A 69 5.133 -6.632 -6.636 1.00 0.00 C ATOM 1056 C LEU A 69 4.582 -5.227 -6.420 1.00 0.00 C ATOM 1057 O LEU A 69 3.618 -4.820 -7.071 1.00 0.00 O ATOM 1058 CB LEU A 69 5.127 -6.981 -8.128 1.00 0.00 C ATOM 1059 CG LEU A 69 6.510 -7.173 -8.754 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.955 -8.623 -8.636 1.00 0.00 C ATOM 1061 CD2 LEU A 69 6.501 -6.729 -10.211 1.00 0.00 C ATOM 0 H LEU A 69 3.632 -8.080 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 69 6.162 -6.665 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.551 -7.896 -8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.607 -6.190 -8.668 1.00 0.00 H new ATOM 0 HG LEU A 69 7.223 -6.553 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.941 -8.739 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.002 -8.905 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.242 -9.266 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.492 -6.872 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.775 -7.322 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.229 -5.675 -10.268 1.00 0.00 H new ATOM 1073 N VAL A 70 5.199 -4.494 -5.496 1.00 0.00 N ATOM 1074 CA VAL A 70 4.767 -3.137 -5.188 1.00 0.00 C ATOM 1075 C VAL A 70 5.394 -2.131 -6.149 1.00 0.00 C ATOM 1076 O VAL A 70 6.584 -2.207 -6.456 1.00 0.00 O ATOM 1077 CB VAL A 70 5.118 -2.740 -3.738 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.467 -1.416 -3.372 1.00 0.00 C ATOM 1079 CG2 VAL A 70 4.694 -3.830 -2.766 1.00 0.00 C ATOM 0 H VAL A 70 5.997 -4.818 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 70 3.683 -3.120 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 70 6.199 -2.621 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.727 -1.154 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.822 -0.637 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.384 -1.506 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.950 -3.531 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.617 -3.984 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.210 -4.758 -3.012 1.00 0.00 H new ATOM 1089 N LEU A 71 4.576 -1.194 -6.619 1.00 0.00 N ATOM 1090 CA LEU A 71 5.036 -0.164 -7.549 1.00 0.00 C ATOM 1091 C LEU A 71 4.715 1.232 -7.018 1.00 0.00 C ATOM 1092 O LEU A 71 3.566 1.527 -6.682 1.00 0.00 O ATOM 1093 CB LEU A 71 4.393 -0.352 -8.930 1.00 0.00 C ATOM 1094 CG LEU A 71 4.106 -1.802 -9.337 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.394 -1.840 -10.681 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.394 -2.616 -9.387 1.00 0.00 C ATOM 0 H LEU A 71 3.589 -1.126 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 71 6.117 -0.263 -7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.456 0.205 -8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.048 0.094 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 71 3.455 -2.249 -8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.196 -2.875 -10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.452 -1.297 -10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.024 -1.375 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.165 -3.641 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.075 -2.175 -10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.864 -2.614 -8.404 1.00 0.00 H new ATOM 1108 N VAL A 72 5.736 2.085 -6.947 1.00 0.00 N ATOM 1109 CA VAL A 72 5.562 3.450 -6.460 1.00 0.00 C ATOM 1110 C VAL A 72 5.720 4.458 -7.597 1.00 0.00 C ATOM 1111 O VAL A 72 6.781 4.540 -8.221 1.00 0.00 O ATOM 1112 CB VAL A 72 6.565 3.787 -5.338 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.280 5.165 -4.754 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.528 2.725 -4.248 1.00 0.00 C ATOM 0 H VAL A 72 6.691 1.854 -7.221 1.00 0.00 H new ATOM 0 HA VAL A 72 4.552 3.516 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 72 7.566 3.801 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.000 5.381 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.365 5.917 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.272 5.184 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.243 2.981 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.526 2.676 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.789 1.756 -4.675 1.00 0.00 H new ATOM 1124 N ASN A 73 4.654 5.217 -7.862 1.00 0.00 N ATOM 1125 CA ASN A 73 4.651 6.224 -8.927 1.00 0.00 C ATOM 1126 C ASN A 73 5.033 5.609 -10.278 1.00 0.00 C ATOM 1127 O ASN A 73 5.689 6.253 -11.100 1.00 0.00 O ATOM 1128 CB ASN A 73 5.606 7.375 -8.579 1.00 0.00 C ATOM 1129 CG ASN A 73 4.934 8.458 -7.758 1.00 0.00 C ATOM 1130 OD1 ASN A 73 5.322 8.718 -6.618 1.00 0.00 O ATOM 1131 ND2 ASN A 73 3.918 9.097 -8.331 1.00 0.00 N ATOM 0 H ASN A 73 3.775 5.152 -7.349 1.00 0.00 H new ATOM 0 HA ASN A 73 3.638 6.617 -9.010 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.459 6.981 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.996 7.810 -9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.428 9.834 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.629 8.850 -9.278 1.00 0.00 H new ATOM 1138 N SER A 74 4.617 4.358 -10.501 1.00 0.00 N ATOM 1139 CA SER A 74 4.914 3.653 -11.749 1.00 0.00 C ATOM 1140 C SER A 74 6.425 3.604 -12.016 1.00 0.00 C ATOM 1141 O SER A 74 6.864 3.631 -13.168 1.00 0.00 O ATOM 1142 CB SER A 74 4.191 4.326 -12.920 1.00 0.00 C ATOM 1143 OG SER A 74 4.277 3.543 -14.100 1.00 0.00 O ATOM 0 H SER A 74 4.073 3.814 -9.832 1.00 0.00 H new ATOM 0 HA SER A 74 4.557 2.628 -11.650 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.144 4.483 -12.661 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.625 5.309 -13.101 1.00 0.00 H new ATOM 0 HG SER A 74 5.209 3.280 -14.251 1.00 0.00 H new ATOM 1149 N CYS A 75 7.215 3.526 -10.947 1.00 0.00 N ATOM 1150 CA CYS A 75 8.669 3.469 -11.072 1.00 0.00 C ATOM 1151 C CYS A 75 9.263 2.447 -10.102 1.00 0.00 C ATOM 1152 O CYS A 75 10.390 2.605 -9.630 1.00 0.00 O ATOM 1153 CB CYS A 75 9.274 4.855 -10.820 1.00 0.00 C ATOM 1154 SG CYS A 75 10.980 5.030 -11.394 1.00 0.00 S ATOM 0 H CYS A 75 6.873 3.501 -9.986 1.00 0.00 H new ATOM 0 HA CYS A 75 8.913 3.154 -12.087 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.657 5.605 -11.315 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.238 5.067 -9.751 1.00 0.00 H new ATOM 0 HG CYS A 75 11.691 4.036 -10.951 1.00 0.00 H new ATOM 1160 N ASP A 76 8.493 1.393 -9.818 1.00 0.00 N ATOM 1161 CA ASP A 76 8.925 0.332 -8.912 1.00 0.00 C ATOM 1162 C ASP A 76 9.005 0.829 -7.472 1.00 0.00 C ATOM 1163 O ASP A 76 9.358 1.982 -7.214 1.00 0.00 O ATOM 1164 CB ASP A 76 10.278 -0.234 -9.349 1.00 0.00 C ATOM 1165 CG ASP A 76 10.281 -1.748 -9.380 1.00 0.00 C ATOM 1166 OD1 ASP A 76 10.470 -2.364 -8.310 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.089 -2.317 -10.475 1.00 0.00 O ATOM 0 H ASP A 76 7.561 1.254 -10.207 1.00 0.00 H new ATOM 0 HA ASP A 76 8.179 -0.462 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.528 0.149 -10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.053 0.115 -8.667 1.00 0.00 H new ATOM 1172 N ALA A 77 8.678 -0.055 -6.537 1.00 0.00 N ATOM 1173 CA ALA A 77 8.713 0.280 -5.119 1.00 0.00 C ATOM 1174 C ALA A 77 10.111 0.095 -4.532 1.00 0.00 C ATOM 1175 O ALA A 77 10.439 0.696 -3.512 1.00 0.00 O ATOM 1176 CB ALA A 77 7.708 -0.561 -4.348 1.00 0.00 C ATOM 0 H ALA A 77 8.385 -1.011 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 77 8.445 1.332 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.748 -0.298 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.705 -0.372 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.949 -1.617 -4.468 1.00 0.00 H new ATOM 1182 N GLU A 78 10.928 -0.738 -5.178 1.00 0.00 N ATOM 1183 CA GLU A 78 12.287 -0.993 -4.707 1.00 0.00 C ATOM 1184 C GLU A 78 13.242 0.106 -5.170 1.00 0.00 C ATOM 1185 O GLU A 78 14.191 0.448 -4.463 1.00 0.00 O ATOM 1186 CB GLU A 78 12.784 -2.356 -5.199 1.00 0.00 C ATOM 1187 CG GLU A 78 11.826 -3.501 -4.908 1.00 0.00 C ATOM 1188 CD GLU A 78 11.735 -3.826 -3.428 1.00 0.00 C ATOM 1189 OE1 GLU A 78 12.664 -4.479 -2.904 1.00 0.00 O ATOM 1190 OE2 GLU A 78 10.735 -3.428 -2.794 1.00 0.00 O ATOM 0 H GLU A 78 10.672 -1.245 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 78 12.265 -0.998 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.956 -2.303 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.745 -2.572 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.835 -3.244 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.151 -4.388 -5.451 1.00 0.00 H new ATOM 1197 N VAL A 79 12.987 0.653 -6.358 1.00 0.00 N ATOM 1198 CA VAL A 79 13.830 1.711 -6.906 1.00 0.00 C ATOM 1199 C VAL A 79 13.731 2.988 -6.070 1.00 0.00 C ATOM 1200 O VAL A 79 14.739 3.647 -5.812 1.00 0.00 O ATOM 1201 CB VAL A 79 13.466 2.036 -8.370 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.442 3.050 -8.948 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.440 0.771 -9.220 1.00 0.00 C ATOM 0 H VAL A 79 12.207 0.381 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 79 14.853 1.337 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 79 12.466 2.471 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.171 3.268 -9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.403 3.968 -8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.452 2.642 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.181 1.028 -10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.423 0.299 -9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.698 0.080 -8.821 1.00 0.00 H new ATOM 1213 N VAL A 80 12.512 3.334 -5.649 1.00 0.00 N ATOM 1214 CA VAL A 80 12.291 4.537 -4.842 1.00 0.00 C ATOM 1215 C VAL A 80 12.876 4.393 -3.435 1.00 0.00 C ATOM 1216 O VAL A 80 13.266 5.386 -2.817 1.00 0.00 O ATOM 1217 CB VAL A 80 10.793 4.887 -4.724 1.00 0.00 C ATOM 1218 CG1 VAL A 80 10.211 5.226 -6.088 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.016 3.749 -4.067 1.00 0.00 C ATOM 0 H VAL A 80 11.666 2.801 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 80 12.805 5.344 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 80 10.700 5.767 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.154 5.470 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.740 6.082 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.321 4.370 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.963 4.021 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.117 2.845 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.412 3.567 -3.068 1.00 0.00 H new ATOM 1229 N GLY A 81 12.930 3.158 -2.930 1.00 0.00 N ATOM 1230 CA GLY A 81 13.463 2.925 -1.597 1.00 0.00 C ATOM 1231 C GLY A 81 13.192 1.520 -1.076 1.00 0.00 C ATOM 1232 O GLY A 81 14.012 0.958 -0.348 1.00 0.00 O ATOM 0 H GLY A 81 12.615 2.320 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.539 3.099 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.030 3.650 -0.908 1.00 0.00 H new ATOM 1236 N GLY A 82 12.038 0.959 -1.439 1.00 0.00 N ATOM 1237 CA GLY A 82 11.673 -0.375 -0.988 1.00 0.00 C ATOM 1238 C GLY A 82 10.542 -0.339 0.021 1.00 0.00 C ATOM 1239 O GLY A 82 9.504 -0.973 -0.174 1.00 0.00 O ATOM 0 H GLY A 82 11.347 1.408 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.376 -0.980 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.542 -0.858 -0.542 1.00 0.00 H new ATOM 1243 N MET A 83 10.745 0.415 1.097 1.00 0.00 N ATOM 1244 CA MET A 83 9.737 0.553 2.144 1.00 0.00 C ATOM 1245 C MET A 83 9.948 1.840 2.955 1.00 0.00 C ATOM 1246 O MET A 83 9.585 1.904 4.131 1.00 0.00 O ATOM 1247 CB MET A 83 9.760 -0.673 3.071 1.00 0.00 C ATOM 1248 CG MET A 83 11.138 -0.999 3.634 1.00 0.00 C ATOM 1249 SD MET A 83 11.634 -2.704 3.315 1.00 0.00 S ATOM 1250 CE MET A 83 12.908 -2.463 2.077 1.00 0.00 C ATOM 0 H MET A 83 11.602 0.942 1.267 1.00 0.00 H new ATOM 0 HA MET A 83 8.760 0.616 1.664 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.072 -0.503 3.899 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.389 -1.538 2.521 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.874 -0.323 3.198 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.139 -0.820 4.709 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.675 -3.230 2.190 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.467 -2.534 1.083 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.358 -1.478 2.205 1.00 0.00 H new ATOM 1260 N ASP A 84 10.538 2.861 2.324 1.00 0.00 N ATOM 1261 CA ASP A 84 10.799 4.129 2.996 1.00 0.00 C ATOM 1262 C ASP A 84 10.422 5.334 2.123 1.00 0.00 C ATOM 1263 O ASP A 84 10.905 6.445 2.352 1.00 0.00 O ATOM 1264 CB ASP A 84 12.277 4.209 3.383 1.00 0.00 C ATOM 1265 CG ASP A 84 12.493 4.928 4.697 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.422 6.173 4.713 1.00 0.00 O ATOM 1267 OD2 ASP A 84 12.732 4.244 5.713 1.00 0.00 O ATOM 0 H ASP A 84 10.842 2.830 1.351 1.00 0.00 H new ATOM 0 HA ASP A 84 10.176 4.166 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.686 3.201 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.828 4.724 2.596 1.00 0.00 H new ATOM 1272 N TYR A 85 9.561 5.119 1.125 1.00 0.00 N ATOM 1273 CA TYR A 85 9.140 6.204 0.238 1.00 0.00 C ATOM 1274 C TYR A 85 8.273 7.215 0.985 1.00 0.00 C ATOM 1275 O TYR A 85 7.148 6.907 1.387 1.00 0.00 O ATOM 1276 CB TYR A 85 8.374 5.657 -0.967 1.00 0.00 C ATOM 1277 CG TYR A 85 8.178 6.681 -2.062 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.265 7.203 -2.754 1.00 0.00 C ATOM 1279 CD2 TYR A 85 6.908 7.129 -2.401 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.089 8.140 -3.754 1.00 0.00 C ATOM 1281 CE2 TYR A 85 6.725 8.066 -3.398 1.00 0.00 C ATOM 1282 CZ TYR A 85 7.818 8.567 -4.072 1.00 0.00 C ATOM 1283 OH TYR A 85 7.636 9.494 -5.070 1.00 0.00 O ATOM 0 H TYR A 85 9.146 4.212 0.913 1.00 0.00 H new ATOM 0 HA TYR A 85 10.040 6.708 -0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.911 4.799 -1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.400 5.296 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.262 6.871 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.049 6.738 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.943 8.536 -4.284 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.731 8.405 -3.649 1.00 0.00 H new ATOM 0 HH TYR A 85 6.845 9.256 -5.598 1.00 0.00 H new ATOM 1293 N VAL A 86 8.807 8.420 1.168 1.00 0.00 N ATOM 1294 CA VAL A 86 8.090 9.482 1.869 1.00 0.00 C ATOM 1295 C VAL A 86 6.928 10.013 1.031 1.00 0.00 C ATOM 1296 O VAL A 86 7.068 10.251 -0.169 1.00 0.00 O ATOM 1297 CB VAL A 86 9.023 10.657 2.250 1.00 0.00 C ATOM 1298 CG1 VAL A 86 9.969 10.249 3.372 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.806 11.152 1.039 1.00 0.00 C ATOM 0 H VAL A 86 9.736 8.686 0.840 1.00 0.00 H new ATOM 0 HA VAL A 86 7.700 9.038 2.785 1.00 0.00 H new ATOM 0 HB VAL A 86 8.401 11.478 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.616 11.088 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.390 9.960 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.578 9.406 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.453 11.977 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.414 10.339 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.111 11.494 0.272 1.00 0.00 H new ATOM 1309 N LEU A 87 5.777 10.195 1.677 1.00 0.00 N ATOM 1310 CA LEU A 87 4.583 10.696 1.005 1.00 0.00 C ATOM 1311 C LEU A 87 4.642 12.214 0.842 1.00 0.00 C ATOM 1312 O LEU A 87 5.291 12.907 1.626 1.00 0.00 O ATOM 1313 CB LEU A 87 3.329 10.305 1.792 1.00 0.00 C ATOM 1314 CG LEU A 87 2.876 8.854 1.607 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.076 8.062 2.892 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.421 8.802 1.163 1.00 0.00 C ATOM 0 H LEU A 87 5.648 10.001 2.670 1.00 0.00 H new ATOM 0 HA LEU A 87 4.539 10.245 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.514 10.480 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.513 10.965 1.498 1.00 0.00 H new ATOM 0 HG LEU A 87 3.488 8.399 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.748 7.034 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.132 8.070 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.492 8.515 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.116 7.763 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.793 9.275 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.310 9.330 0.216 1.00 0.00 H new ATOM 1328 N ASN A 88 3.960 12.721 -0.183 1.00 0.00 N ATOM 1329 CA ASN A 88 3.935 14.156 -0.452 1.00 0.00 C ATOM 1330 C ASN A 88 2.679 14.547 -1.228 1.00 0.00 C ATOM 1331 O ASN A 88 1.880 15.358 -0.760 1.00 0.00 O ATOM 1332 CB ASN A 88 5.183 14.569 -1.239 1.00 0.00 C ATOM 1333 CG ASN A 88 5.290 16.073 -1.423 1.00 0.00 C ATOM 1334 OD1 ASN A 88 4.604 16.655 -2.260 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.157 16.709 -0.641 1.00 0.00 N ATOM 0 H ASN A 88 3.418 12.160 -0.840 1.00 0.00 H new ATOM 0 HA ASN A 88 3.924 14.678 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.071 14.207 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.166 14.088 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.272 17.719 -0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.707 16.187 0.041 1.00 0.00 H new ATOM 1342 N ASP A 89 2.516 13.963 -2.417 1.00 0.00 N ATOM 1343 CA ASP A 89 1.365 14.252 -3.266 1.00 0.00 C ATOM 1344 C ASP A 89 1.333 13.332 -4.480 1.00 0.00 C ATOM 1345 O ASP A 89 2.228 13.373 -5.327 1.00 0.00 O ATOM 1346 CB ASP A 89 1.395 15.712 -3.725 1.00 0.00 C ATOM 1347 CG ASP A 89 0.335 16.554 -3.046 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -0.832 16.116 -3.004 1.00 0.00 O ATOM 1349 OD2 ASP A 89 0.670 17.652 -2.559 1.00 0.00 O ATOM 0 H ASP A 89 3.169 13.286 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 89 0.464 14.078 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.378 16.135 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.251 15.753 -4.805 1.00 0.00 H new ATOM 1354 N GLY A 90 0.293 12.505 -4.556 1.00 0.00 N ATOM 1355 CA GLY A 90 0.149 11.586 -5.669 1.00 0.00 C ATOM 1356 C GLY A 90 1.001 10.339 -5.517 1.00 0.00 C ATOM 1357 O GLY A 90 1.492 9.796 -6.509 1.00 0.00 O ATOM 0 H GLY A 90 -0.454 12.456 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.898 11.296 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.421 12.096 -6.593 1.00 0.00 H new ATOM 1361 N ASP A 91 1.171 9.877 -4.277 1.00 0.00 N ATOM 1362 CA ASP A 91 1.966 8.683 -4.013 1.00 0.00 C ATOM 1363 C ASP A 91 1.189 7.430 -4.407 1.00 0.00 C ATOM 1364 O ASP A 91 0.338 6.951 -3.654 1.00 0.00 O ATOM 1365 CB ASP A 91 2.378 8.610 -2.536 1.00 0.00 C ATOM 1366 CG ASP A 91 3.195 7.368 -2.206 1.00 0.00 C ATOM 1367 OD1 ASP A 91 3.793 6.775 -3.131 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.238 6.988 -1.018 1.00 0.00 O ATOM 0 H ASP A 91 0.770 10.311 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 91 2.872 8.741 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.958 9.497 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.483 8.625 -1.914 1.00 0.00 H new ATOM 1373 N THR A 92 1.489 6.903 -5.591 1.00 0.00 N ATOM 1374 CA THR A 92 0.821 5.706 -6.084 1.00 0.00 C ATOM 1375 C THR A 92 1.454 4.455 -5.486 1.00 0.00 C ATOM 1376 O THR A 92 2.667 4.274 -5.554 1.00 0.00 O ATOM 1377 CB THR A 92 0.889 5.641 -7.612 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.506 6.877 -8.194 1.00 0.00 O ATOM 1379 CG2 THR A 92 0.006 4.560 -8.200 1.00 0.00 C ATOM 0 H THR A 92 2.190 7.287 -6.225 1.00 0.00 H new ATOM 0 HA THR A 92 -0.225 5.753 -5.780 1.00 0.00 H new ATOM 0 HB THR A 92 1.929 5.409 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.560 6.809 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.099 4.565 -9.286 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.315 3.588 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.032 4.747 -7.923 1.00 0.00 H new ATOM 1387 N VAL A 93 0.623 3.594 -4.905 1.00 0.00 N ATOM 1388 CA VAL A 93 1.104 2.358 -4.302 1.00 0.00 C ATOM 1389 C VAL A 93 0.162 1.195 -4.615 1.00 0.00 C ATOM 1390 O VAL A 93 -0.991 1.176 -4.178 1.00 0.00 O ATOM 1391 CB VAL A 93 1.278 2.500 -2.771 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.038 2.872 -2.101 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.851 1.219 -2.178 1.00 0.00 C ATOM 0 H VAL A 93 -0.386 3.731 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 93 2.081 2.148 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 93 1.984 3.309 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.115 2.965 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.394 3.822 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.778 2.096 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.967 1.337 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.174 0.389 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.823 1.013 -2.627 1.00 0.00 H new ATOM 1403 N GLU A 94 0.664 0.234 -5.387 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.124 -0.932 -5.776 1.00 0.00 C ATOM 1405 C GLU A 94 0.459 -2.212 -5.184 1.00 0.00 C ATOM 1406 O GLU A 94 1.668 -2.318 -4.978 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.177 -1.051 -7.301 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.549 0.244 -8.005 1.00 0.00 C ATOM 1409 CD GLU A 94 0.125 0.389 -9.354 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.287 -0.313 -10.302 1.00 0.00 O ATOM 1411 OE2 GLU A 94 1.068 1.201 -9.464 1.00 0.00 O ATOM 0 H GLU A 94 1.615 0.240 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.133 -0.798 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.795 -1.385 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.900 -1.821 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.630 0.284 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.274 1.089 -7.373 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.414 -3.183 -4.921 1.00 0.00 N ATOM 1419 CA PHE A 95 0.005 -4.464 -4.359 1.00 0.00 C ATOM 1420 C PHE A 95 -0.450 -5.613 -5.255 1.00 0.00 C ATOM 1421 O PHE A 95 -1.632 -5.962 -5.281 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.559 -4.636 -2.945 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.321 -3.449 -2.048 1.00 0.00 C ATOM 1424 CD1 PHE A 95 0.826 -3.367 -1.275 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -1.243 -2.416 -1.986 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.046 -2.279 -0.453 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -1.027 -1.325 -1.165 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.121 -1.256 -0.398 1.00 0.00 C ATOM 0 H PHE A 95 -1.417 -3.106 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 95 1.093 -4.478 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.631 -4.821 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.111 -5.519 -2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.556 -4.162 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.140 -2.464 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.942 -2.229 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.754 -0.528 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.294 -0.404 0.243 1.00 0.00 H new ATOM 1438 N ILE A 96 0.495 -6.190 -6.000 1.00 0.00 N ATOM 1439 CA ILE A 96 0.196 -7.293 -6.909 1.00 0.00 C ATOM 1440 C ILE A 96 0.876 -8.586 -6.457 1.00 0.00 C ATOM 1441 O ILE A 96 2.076 -8.772 -6.665 1.00 0.00 O ATOM 1442 CB ILE A 96 0.640 -6.965 -8.355 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.130 -5.582 -8.774 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.145 -8.031 -9.326 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.786 -5.050 -10.031 1.00 0.00 C ATOM 0 H ILE A 96 1.476 -5.909 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.885 -7.434 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 96 1.730 -6.955 -8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.948 -5.633 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.301 -4.879 -7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.468 -7.781 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.556 -9.000 -9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.944 -8.075 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.376 -4.068 -10.268 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.861 -4.966 -9.873 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.593 -5.732 -10.859 1.00 0.00 H new ATOM 1457 N SER A 97 0.099 -9.477 -5.837 1.00 0.00 N ATOM 1458 CA SER A 97 0.626 -10.753 -5.353 1.00 0.00 C ATOM 1459 C SER A 97 0.908 -11.706 -6.512 1.00 0.00 C ATOM 1460 O SER A 97 0.001 -12.377 -7.013 1.00 0.00 O ATOM 1461 CB SER A 97 -0.362 -11.399 -4.375 1.00 0.00 C ATOM 1462 OG SER A 97 -0.752 -10.489 -3.362 1.00 0.00 O ATOM 0 H SER A 97 -0.896 -9.338 -5.659 1.00 0.00 H new ATOM 0 HA SER A 97 1.565 -10.555 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.243 -11.742 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.095 -12.278 -3.921 1.00 0.00 H new ATOM 0 HG SER A 97 -1.383 -10.927 -2.754 1.00 0.00 H new ATOM 1468 N THR A 98 2.169 -11.763 -6.932 1.00 0.00 N ATOM 1469 CA THR A 98 2.577 -12.633 -8.032 1.00 0.00 C ATOM 1470 C THR A 98 2.968 -14.018 -7.518 1.00 0.00 C ATOM 1471 O THR A 98 2.484 -15.033 -8.023 1.00 0.00 O ATOM 1472 CB THR A 98 3.747 -12.012 -8.805 1.00 0.00 C ATOM 1473 OG1 THR A 98 3.619 -10.600 -8.877 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.875 -12.533 -10.221 1.00 0.00 C ATOM 0 H THR A 98 2.928 -11.216 -6.526 1.00 0.00 H new ATOM 0 HA THR A 98 1.727 -12.741 -8.705 1.00 0.00 H new ATOM 0 HB THR A 98 4.638 -12.297 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.283 -10.243 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.722 -12.052 -10.710 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.033 -13.611 -10.199 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.962 -12.311 -10.774 1.00 0.00 H new ATOM 1482 N LEU A 99 3.845 -14.056 -6.514 1.00 0.00 N ATOM 1483 CA LEU A 99 4.295 -15.322 -5.939 1.00 0.00 C ATOM 1484 C LEU A 99 3.342 -15.792 -4.841 1.00 0.00 C ATOM 1485 O LEU A 99 3.395 -15.307 -3.707 1.00 0.00 O ATOM 1486 CB LEU A 99 5.714 -15.183 -5.377 1.00 0.00 C ATOM 1487 CG LEU A 99 6.547 -16.469 -5.390 1.00 0.00 C ATOM 1488 CD1 LEU A 99 8.029 -16.142 -5.494 1.00 0.00 C ATOM 1489 CD2 LEU A 99 6.268 -17.301 -4.144 1.00 0.00 C ATOM 0 H LEU A 99 4.256 -13.227 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 99 4.302 -16.068 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.242 -14.421 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.648 -14.822 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 99 6.262 -17.055 -6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.606 -17.067 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.216 -15.590 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.328 -15.535 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.869 -18.210 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.524 -16.723 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.211 -17.565 -4.112 1.00 0.00 H new ATOM 1501 N HIS A 100 2.473 -16.740 -5.186 1.00 0.00 N ATOM 1502 CA HIS A 100 1.506 -17.283 -4.234 1.00 0.00 C ATOM 1503 C HIS A 100 1.603 -18.807 -4.160 1.00 0.00 C ATOM 1504 O HIS A 100 1.645 -19.380 -3.072 1.00 0.00 O ATOM 1505 CB HIS A 100 0.085 -16.868 -4.621 1.00 0.00 C ATOM 1506 CG HIS A 100 -0.787 -16.543 -3.448 1.00 0.00 C ATOM 1507 ND1 HIS A 100 -0.797 -17.288 -2.286 1.00 0.00 N ATOM 1508 CD2 HIS A 100 -1.683 -15.545 -3.258 1.00 0.00 C ATOM 1509 CE1 HIS A 100 -1.662 -16.764 -1.436 1.00 0.00 C ATOM 1510 NE2 HIS A 100 -2.212 -15.705 -2.002 1.00 0.00 N ATOM 0 H HIS A 100 2.419 -17.149 -6.119 1.00 0.00 H new ATOM 0 HA HIS A 100 1.740 -16.876 -3.250 1.00 0.00 H new ATOM 0 HB2 HIS A 100 0.136 -15.999 -5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -0.376 -17.673 -5.193 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -1.934 -14.767 -3.964 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -1.882 -17.138 -0.447 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -2.916 -15.103 -1.575 1.00 0.00 H new ATOM 1519 N GLY A 101 1.633 -19.456 -5.326 1.00 0.00 N ATOM 1520 CA GLY A 101 1.724 -20.905 -5.372 1.00 0.00 C ATOM 1521 C GLY A 101 1.507 -21.460 -6.768 1.00 0.00 C ATOM 1522 O GLY A 101 0.499 -22.119 -7.031 1.00 0.00 O ATOM 0 H GLY A 101 1.596 -19.001 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.704 -21.215 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.984 -21.333 -4.696 1.00 0.00 H new ATOM 1526 N GLY A 102 2.456 -21.193 -7.664 1.00 0.00 N ATOM 1527 CA GLY A 102 2.350 -21.675 -9.032 1.00 0.00 C ATOM 1528 C GLY A 102 1.865 -20.604 -9.992 1.00 0.00 C ATOM 1529 O GLY A 102 0.854 -19.939 -9.680 1.00 0.00 O ATOM 0 H GLY A 102 3.297 -20.651 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.323 -22.039 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.665 -22.522 -9.063 1.00 0.00 H new TER 1533 GLY A 102