USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=18 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 42 GLN : amide:sc= 0.917 K(o=1.2,f=-0.76!) USER MOD Set 1.2: A 46 THR OG1 : rot -160:sc= 0.266 USER MOD Set 2.1: A 8 THR OG1 : rot 135:sc= 0.00439 USER MOD Set 2.2: A 73 ASN : amide:sc= 0 X(o=-0.22,f=0.11) USER MOD Set 2.3: A 92 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0 (180deg=-0.228) USER MOD Single : A 2 SER OG : rot 22:sc= 0.00805 USER MOD Single : A 3 ASN : amide:sc=-0.00173 K(o=-0.0017,f=-1.3) USER MOD Single : A 4 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.01) USER MOD Single : A 5 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.3) USER MOD Single : A 6 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-0.87) USER MOD Single : A 10 GLN : amide:sc= -1.92 K(o=-1.9,f=-7.2!) USER MOD Single : A 15 CYS SG : rot -130:sc= -0.469 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.035) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0952 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0961 X(o=-0.096,f=0) USER MOD Single : A 33 THR OG1 : rot 114:sc= 1.17 USER MOD Single : A 35 THR OG1 : rot 150:sc= 0.14 USER MOD Single : A 36 ASN : amide:sc= -0.14 K(o=-0.14,f=-6.6!) USER MOD Single : A 38 ASN : amide:sc= -0.485 K(o=-0.48,f=-2.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.1) 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= -0.224 X(o=-0.22,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.0072) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.443 K(o=-0.44,f=-3.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 100 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.374 28.826 -12.052 1.00 0.00 N ATOM 2 CA MET A 1 -5.922 27.529 -11.569 1.00 0.00 C ATOM 3 C MET A 1 -4.801 26.566 -11.183 1.00 0.00 C ATOM 4 O MET A 1 -4.004 26.156 -12.027 1.00 0.00 O ATOM 5 CB MET A 1 -6.798 26.916 -12.674 1.00 0.00 C ATOM 6 CG MET A 1 -6.130 26.871 -14.041 1.00 0.00 C ATOM 7 SD MET A 1 -6.534 25.373 -14.959 1.00 0.00 S ATOM 8 CE MET A 1 -5.006 24.454 -14.795 1.00 0.00 C ATOM 0 H1 MET A 1 -6.108 29.337 -12.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.073 29.400 -11.239 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.558 28.649 -12.672 1.00 0.00 H new ATOM 0 HA MET A 1 -6.523 27.707 -10.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.075 25.903 -12.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.722 27.490 -12.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.437 27.742 -14.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.049 26.936 -13.916 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.098 23.499 -15.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.188 25.026 -15.233 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.800 24.276 -13.740 1.00 0.00 H new ATOM 20 N SER A 2 -4.745 26.212 -9.899 1.00 0.00 N ATOM 21 CA SER A 2 -3.721 25.300 -9.396 1.00 0.00 C ATOM 22 C SER A 2 -4.302 24.351 -8.351 1.00 0.00 C ATOM 23 O SER A 2 -4.192 24.594 -7.147 1.00 0.00 O ATOM 24 CB SER A 2 -2.552 26.090 -8.798 1.00 0.00 C ATOM 25 OG SER A 2 -1.655 26.520 -9.808 1.00 0.00 O ATOM 0 H SER A 2 -5.398 26.544 -9.189 1.00 0.00 H new ATOM 0 HA SER A 2 -3.355 24.706 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.934 26.954 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.021 25.469 -8.076 1.00 0.00 H new ATOM 0 HG SER A 2 -2.117 26.531 -10.672 1.00 0.00 H new ATOM 31 N ASN A 3 -4.924 23.269 -8.817 1.00 0.00 N ATOM 32 CA ASN A 3 -5.522 22.286 -7.921 1.00 0.00 C ATOM 33 C ASN A 3 -5.431 20.880 -8.511 1.00 0.00 C ATOM 34 O ASN A 3 -6.168 20.537 -9.436 1.00 0.00 O ATOM 35 CB ASN A 3 -6.984 22.640 -7.638 1.00 0.00 C ATOM 36 CG ASN A 3 -7.549 21.875 -6.452 1.00 0.00 C ATOM 37 OD1 ASN A 3 -6.832 21.137 -5.772 1.00 0.00 O ATOM 38 ND2 ASN A 3 -8.841 22.044 -6.196 1.00 0.00 N ATOM 0 H ASN A 3 -5.026 23.053 -9.809 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.965 22.303 -6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.065 23.710 -7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.584 22.427 -8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.274 21.554 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.400 22.664 -6.782 1.00 0.00 H new ATOM 45 N HIS A 4 -4.524 20.073 -7.964 1.00 0.00 N ATOM 46 CA HIS A 4 -4.334 18.700 -8.429 1.00 0.00 C ATOM 47 C HIS A 4 -3.681 17.832 -7.349 1.00 0.00 C ATOM 48 O HIS A 4 -2.934 16.901 -7.660 1.00 0.00 O ATOM 49 CB HIS A 4 -3.489 18.684 -9.712 1.00 0.00 C ATOM 50 CG HIS A 4 -2.075 19.153 -9.528 1.00 0.00 C ATOM 51 ND1 HIS A 4 -1.039 18.741 -10.342 1.00 0.00 N ATOM 52 CD2 HIS A 4 -1.523 20.001 -8.624 1.00 0.00 C ATOM 53 CE1 HIS A 4 0.083 19.314 -9.948 1.00 0.00 C ATOM 54 NE2 HIS A 4 -0.184 20.084 -8.910 1.00 0.00 N ATOM 0 H HIS A 4 -3.909 20.346 -7.198 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.316 18.280 -8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.474 17.669 -10.110 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.973 19.312 -10.460 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.041 20.515 -7.828 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.055 19.176 -10.399 1.00 0.00 H new ATOM 0 HE2 HIS A 4 0.496 20.650 -8.402 1.00 0.00 H new ATOM 63 N ASN A 5 -3.967 18.137 -6.083 1.00 0.00 N ATOM 64 CA ASN A 5 -3.403 17.382 -4.965 1.00 0.00 C ATOM 65 C ASN A 5 -4.256 16.155 -4.642 1.00 0.00 C ATOM 66 O ASN A 5 -5.481 16.248 -4.537 1.00 0.00 O ATOM 67 CB ASN A 5 -3.257 18.272 -3.723 1.00 0.00 C ATOM 68 CG ASN A 5 -4.522 19.045 -3.390 1.00 0.00 C ATOM 69 OD1 ASN A 5 -5.444 18.509 -2.775 1.00 0.00 O ATOM 70 ND2 ASN A 5 -4.571 20.310 -3.791 1.00 0.00 N ATOM 0 H ASN A 5 -4.585 18.900 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.412 17.039 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.982 17.652 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.440 18.976 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.395 20.877 -3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.784 20.715 -4.298 1.00 0.00 H new ATOM 77 N HIS A 6 -3.595 15.006 -4.494 1.00 0.00 N ATOM 78 CA HIS A 6 -4.276 13.746 -4.189 1.00 0.00 C ATOM 79 C HIS A 6 -3.272 12.594 -4.099 1.00 0.00 C ATOM 80 O HIS A 6 -2.096 12.761 -4.419 1.00 0.00 O ATOM 81 CB HIS A 6 -5.327 13.427 -5.261 1.00 0.00 C ATOM 82 CG HIS A 6 -4.838 13.616 -6.667 1.00 0.00 C ATOM 83 ND1 HIS A 6 -3.682 13.036 -7.152 1.00 0.00 N ATOM 84 CD2 HIS A 6 -5.355 14.330 -7.695 1.00 0.00 C ATOM 85 CE1 HIS A 6 -3.511 13.386 -8.413 1.00 0.00 C ATOM 86 NE2 HIS A 6 -4.512 14.172 -8.767 1.00 0.00 N ATOM 0 H HIS A 6 -2.582 14.922 -4.581 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.772 13.860 -3.225 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.657 12.395 -5.137 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.199 14.062 -5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.262 14.915 -7.675 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.692 13.082 -9.048 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.638 14.593 -9.687 1.00 0.00 H new ATOM 95 N ILE A 7 -3.746 11.423 -3.675 1.00 0.00 N ATOM 96 CA ILE A 7 -2.889 10.244 -3.558 1.00 0.00 C ATOM 97 C ILE A 7 -3.527 9.043 -4.258 1.00 0.00 C ATOM 98 O ILE A 7 -4.749 8.965 -4.375 1.00 0.00 O ATOM 99 CB ILE A 7 -2.606 9.890 -2.081 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.141 11.131 -1.303 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.567 8.779 -1.987 1.00 0.00 C ATOM 102 CD1 ILE A 7 -0.810 11.690 -1.768 1.00 0.00 C ATOM 0 H ILE A 7 -4.718 11.266 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.942 10.484 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.533 9.534 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.900 11.908 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.067 10.877 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.380 8.543 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.937 7.891 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.639 9.108 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.553 12.564 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.036 10.931 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.883 11.978 -2.817 1.00 0.00 H new ATOM 114 N THR A 8 -2.695 8.118 -4.732 1.00 0.00 N ATOM 115 CA THR A 8 -3.183 6.928 -5.435 1.00 0.00 C ATOM 116 C THR A 8 -2.853 5.648 -4.665 1.00 0.00 C ATOM 117 O THR A 8 -1.689 5.371 -4.374 1.00 0.00 O ATOM 118 CB THR A 8 -2.577 6.861 -6.841 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.624 8.130 -7.475 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.272 5.868 -7.746 1.00 0.00 C ATOM 0 H THR A 8 -1.680 8.167 -4.643 1.00 0.00 H new ATOM 0 HA THR A 8 -4.268 7.007 -5.510 1.00 0.00 H new ATOM 0 HB THR A 8 -1.548 6.535 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.760 8.316 -7.899 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.793 5.871 -8.725 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.204 4.870 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.320 6.146 -7.854 1.00 0.00 H new ATOM 128 N VAL A 9 -3.888 4.870 -4.342 1.00 0.00 N ATOM 129 CA VAL A 9 -3.715 3.615 -3.612 1.00 0.00 C ATOM 130 C VAL A 9 -4.739 2.568 -4.060 1.00 0.00 C ATOM 131 O VAL A 9 -5.935 2.699 -3.791 1.00 0.00 O ATOM 132 CB VAL A 9 -3.819 3.836 -2.084 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.183 4.392 -1.698 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.523 2.545 -1.330 1.00 0.00 C ATOM 0 H VAL A 9 -4.856 5.089 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.716 3.244 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.069 4.575 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.225 4.536 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.341 5.347 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.961 3.691 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.602 2.724 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.241 1.779 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.514 2.208 -1.568 1.00 0.00 H new ATOM 144 N GLN A 10 -4.265 1.533 -4.755 1.00 0.00 N ATOM 145 CA GLN A 10 -5.147 0.472 -5.245 1.00 0.00 C ATOM 146 C GLN A 10 -4.551 -0.914 -5.001 1.00 0.00 C ATOM 147 O GLN A 10 -3.346 -1.057 -4.785 1.00 0.00 O ATOM 148 CB GLN A 10 -5.431 0.661 -6.737 1.00 0.00 C ATOM 149 CG GLN A 10 -4.193 0.951 -7.569 1.00 0.00 C ATOM 150 CD GLN A 10 -4.038 2.425 -7.903 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.683 3.283 -7.296 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.181 2.728 -8.873 1.00 0.00 N ATOM 0 H GLN A 10 -3.281 1.407 -4.991 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.082 0.540 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.912 -0.238 -7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.140 1.480 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.310 0.611 -7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.240 0.377 -8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.667 1.987 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.037 3.702 -9.141 1.00 0.00 H new ATOM 161 N PHE A 11 -5.412 -1.932 -5.039 1.00 0.00 N ATOM 162 CA PHE A 11 -4.987 -3.313 -4.826 1.00 0.00 C ATOM 163 C PHE A 11 -5.238 -4.163 -6.070 1.00 0.00 C ATOM 164 O PHE A 11 -6.203 -3.935 -6.805 1.00 0.00 O ATOM 165 CB PHE A 11 -5.727 -3.915 -3.632 1.00 0.00 C ATOM 166 CG PHE A 11 -5.517 -3.166 -2.344 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.349 -3.327 -1.615 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.489 -2.302 -1.865 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.156 -2.640 -0.432 1.00 0.00 C ATOM 170 CE2 PHE A 11 -6.299 -1.612 -0.683 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.131 -1.781 0.035 1.00 0.00 C ATOM 0 H PHE A 11 -6.411 -1.824 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.916 -3.307 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.794 -3.943 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.402 -4.947 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.582 -3.996 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.405 -2.167 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.242 -2.775 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.063 -0.941 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.981 -1.243 0.959 1.00 0.00 H new ATOM 181 N ALA A 12 -4.366 -5.144 -6.299 1.00 0.00 N ATOM 182 CA ALA A 12 -4.487 -6.032 -7.456 1.00 0.00 C ATOM 183 C ALA A 12 -4.031 -7.455 -7.131 1.00 0.00 C ATOM 184 O ALA A 12 -3.101 -7.657 -6.348 1.00 0.00 O ATOM 185 CB ALA A 12 -3.688 -5.481 -8.630 1.00 0.00 C ATOM 0 H ALA A 12 -3.567 -5.345 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.542 -6.076 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.787 -6.151 -9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.067 -4.495 -8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.637 -5.402 -8.350 1.00 0.00 H new ATOM 191 N GLY A 13 -4.690 -8.437 -7.748 1.00 0.00 N ATOM 192 CA GLY A 13 -4.341 -9.830 -7.526 1.00 0.00 C ATOM 193 C GLY A 13 -5.058 -10.423 -6.329 1.00 0.00 C ATOM 194 O GLY A 13 -6.197 -10.879 -6.446 1.00 0.00 O ATOM 0 H GLY A 13 -5.461 -8.290 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.586 -10.409 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.264 -9.913 -7.378 1.00 0.00 H new ATOM 198 N GLY A 14 -4.391 -10.414 -5.176 1.00 0.00 N ATOM 199 CA GLY A 14 -4.985 -10.953 -3.963 1.00 0.00 C ATOM 200 C GLY A 14 -4.687 -10.106 -2.737 1.00 0.00 C ATOM 201 O GLY A 14 -4.590 -10.630 -1.626 1.00 0.00 O ATOM 0 H GLY A 14 -3.448 -10.042 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.064 -11.028 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.613 -11.965 -3.800 1.00 0.00 H new ATOM 205 N CYS A 15 -4.540 -8.794 -2.939 1.00 0.00 N ATOM 206 CA CYS A 15 -4.245 -7.870 -1.842 1.00 0.00 C ATOM 207 C CYS A 15 -5.454 -6.996 -1.497 1.00 0.00 C ATOM 208 O CYS A 15 -5.563 -6.496 -0.377 1.00 0.00 O ATOM 209 CB CYS A 15 -3.048 -6.987 -2.202 1.00 0.00 C ATOM 210 SG CYS A 15 -1.471 -7.568 -1.534 1.00 0.00 S ATOM 0 H CYS A 15 -4.621 -8.348 -3.853 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.003 -8.468 -0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.969 -6.926 -3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.234 -5.976 -1.838 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.866 -6.587 -0.933 1.00 0.00 H new ATOM 216 N GLU A 16 -6.360 -6.813 -2.460 1.00 0.00 N ATOM 217 CA GLU A 16 -7.556 -6.000 -2.246 1.00 0.00 C ATOM 218 C GLU A 16 -8.411 -6.561 -1.107 1.00 0.00 C ATOM 219 O GLU A 16 -9.086 -5.810 -0.400 1.00 0.00 O ATOM 220 CB GLU A 16 -8.377 -5.904 -3.538 1.00 0.00 C ATOM 221 CG GLU A 16 -8.933 -7.237 -4.022 1.00 0.00 C ATOM 222 CD GLU A 16 -8.042 -7.897 -5.059 1.00 0.00 C ATOM 223 OE1 GLU A 16 -7.017 -8.495 -4.669 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.366 -7.811 -6.261 1.00 0.00 O ATOM 0 H GLU A 16 -6.287 -7.217 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.235 -4.998 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.205 -5.213 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.752 -5.477 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.053 -7.907 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.925 -7.081 -4.446 1.00 0.00 H new ATOM 231 N LEU A 17 -8.370 -7.883 -0.927 1.00 0.00 N ATOM 232 CA LEU A 17 -9.135 -8.539 0.131 1.00 0.00 C ATOM 233 C LEU A 17 -8.554 -8.240 1.521 1.00 0.00 C ATOM 234 O LEU A 17 -9.161 -8.589 2.535 1.00 0.00 O ATOM 235 CB LEU A 17 -9.177 -10.051 -0.103 1.00 0.00 C ATOM 236 CG LEU A 17 -9.929 -10.488 -1.366 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.950 -10.910 -2.454 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.899 -11.617 -1.045 1.00 0.00 C ATOM 0 H LEU A 17 -7.815 -8.518 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.149 -8.140 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.154 -10.424 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.642 -10.525 0.761 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.503 -9.639 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.503 -11.217 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.299 -10.072 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.346 -11.744 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.424 -11.915 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.347 -12.469 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.621 -11.276 -0.303 1.00 0.00 H new ATOM 250 N LEU A 18 -7.382 -7.592 1.571 1.00 0.00 N ATOM 251 CA LEU A 18 -6.746 -7.255 2.847 1.00 0.00 C ATOM 252 C LEU A 18 -7.227 -5.897 3.384 1.00 0.00 C ATOM 253 O LEU A 18 -6.629 -5.348 4.310 1.00 0.00 O ATOM 254 CB LEU A 18 -5.220 -7.238 2.695 1.00 0.00 C ATOM 255 CG LEU A 18 -4.589 -8.559 2.243 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.156 -8.333 1.779 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.630 -9.584 3.368 1.00 0.00 C ATOM 0 H LEU A 18 -6.860 -7.293 0.747 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.033 -8.023 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.952 -6.463 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.780 -6.953 3.651 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.167 -8.947 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.723 -9.281 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.150 -7.633 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.568 -7.922 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.177 -10.516 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.077 -9.204 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.665 -9.767 3.656 1.00 0.00 H new ATOM 269 N PHE A 19 -8.311 -5.363 2.811 1.00 0.00 N ATOM 270 CA PHE A 19 -8.861 -4.079 3.245 1.00 0.00 C ATOM 271 C PHE A 19 -10.380 -4.098 3.136 1.00 0.00 C ATOM 272 O PHE A 19 -11.082 -3.996 4.140 1.00 0.00 O ATOM 273 CB PHE A 19 -8.281 -2.936 2.407 1.00 0.00 C ATOM 274 CG PHE A 19 -8.559 -1.568 2.971 1.00 0.00 C ATOM 275 CD1 PHE A 19 -7.699 -1.001 3.900 1.00 0.00 C ATOM 276 CD2 PHE A 19 -9.676 -0.850 2.573 1.00 0.00 C ATOM 277 CE1 PHE A 19 -7.948 0.256 4.419 1.00 0.00 C ATOM 278 CE2 PHE A 19 -9.931 0.406 3.091 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.065 0.960 4.015 1.00 0.00 C ATOM 0 H PHE A 19 -8.823 -5.802 2.046 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.585 -3.915 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.203 -3.071 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.690 -2.993 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.825 -1.548 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.355 -1.277 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.269 0.687 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.806 0.954 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.262 1.942 4.420 1.00 0.00 H new ATOM 289 N ALA A 20 -10.876 -4.236 1.908 1.00 0.00 N ATOM 290 CA ALA A 20 -12.314 -4.282 1.655 1.00 0.00 C ATOM 291 C ALA A 20 -12.605 -4.490 0.165 1.00 0.00 C ATOM 292 O ALA A 20 -13.568 -3.937 -0.369 1.00 0.00 O ATOM 293 CB ALA A 20 -12.982 -3.008 2.160 1.00 0.00 C ATOM 0 H ALA A 20 -10.300 -4.318 1.070 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.728 -5.131 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.053 -3.057 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.813 -2.909 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.558 -2.146 1.645 1.00 0.00 H new ATOM 299 N LYS A 21 -11.762 -5.290 -0.500 1.00 0.00 N ATOM 300 CA LYS A 21 -11.917 -5.564 -1.931 1.00 0.00 C ATOM 301 C LYS A 21 -12.066 -4.263 -2.725 1.00 0.00 C ATOM 302 O LYS A 21 -12.751 -4.223 -3.750 1.00 0.00 O ATOM 303 CB LYS A 21 -13.126 -6.477 -2.175 1.00 0.00 C ATOM 304 CG LYS A 21 -13.173 -7.685 -1.252 1.00 0.00 C ATOM 305 CD LYS A 21 -14.043 -7.420 -0.033 1.00 0.00 C ATOM 306 CE LYS A 21 -14.882 -8.636 0.331 1.00 0.00 C ATOM 307 NZ LYS A 21 -16.251 -8.256 0.781 1.00 0.00 N ATOM 0 H LYS A 21 -10.966 -5.758 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.017 -6.074 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.040 -5.897 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.108 -6.821 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.560 -8.546 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.163 -7.939 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.412 -7.146 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.698 -6.571 -0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.955 -9.298 -0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.383 -9.197 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.789 -9.114 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.184 -7.646 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.737 -7.743 0.018 1.00 0.00 H new ATOM 321 N GLN A 22 -11.424 -3.197 -2.241 1.00 0.00 N ATOM 322 CA GLN A 22 -11.493 -1.900 -2.900 1.00 0.00 C ATOM 323 C GLN A 22 -10.529 -1.835 -4.079 1.00 0.00 C ATOM 324 O GLN A 22 -9.368 -2.237 -3.967 1.00 0.00 O ATOM 325 CB GLN A 22 -11.184 -0.778 -1.905 1.00 0.00 C ATOM 326 CG GLN A 22 -12.426 -0.176 -1.271 1.00 0.00 C ATOM 327 CD GLN A 22 -13.203 0.711 -2.228 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.951 1.912 -2.322 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.158 0.123 -2.942 1.00 0.00 N ATOM 0 H GLN A 22 -10.853 -3.211 -1.396 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.507 -1.768 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.536 -1.167 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.628 0.008 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.074 -0.978 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.136 0.407 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.334 -0.876 -2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.714 0.671 -3.598 1.00 0.00 H new ATOM 338 N THR A 23 -11.018 -1.326 -5.205 1.00 0.00 N ATOM 339 CA THR A 23 -10.204 -1.207 -6.409 1.00 0.00 C ATOM 340 C THR A 23 -9.097 -0.172 -6.216 1.00 0.00 C ATOM 341 O THR A 23 -7.917 -0.518 -6.198 1.00 0.00 O ATOM 342 CB THR A 23 -11.076 -0.835 -7.616 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.322 -0.299 -7.195 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.368 -2.011 -8.522 1.00 0.00 C ATOM 0 H THR A 23 -11.975 -0.989 -5.309 1.00 0.00 H new ATOM 0 HA THR A 23 -9.740 -2.175 -6.600 1.00 0.00 H new ATOM 0 HB THR A 23 -10.499 -0.097 -8.172 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.861 -0.067 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.988 -1.683 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.431 -2.417 -8.904 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.895 -2.782 -7.959 1.00 0.00 H new ATOM 352 N SER A 24 -9.485 1.095 -6.066 1.00 0.00 N ATOM 353 CA SER A 24 -8.522 2.176 -5.869 1.00 0.00 C ATOM 354 C SER A 24 -9.072 3.234 -4.914 1.00 0.00 C ATOM 355 O SER A 24 -10.281 3.305 -4.681 1.00 0.00 O ATOM 356 CB SER A 24 -8.165 2.822 -7.210 1.00 0.00 C ATOM 357 OG SER A 24 -9.273 3.513 -7.760 1.00 0.00 O ATOM 0 H SER A 24 -10.459 1.397 -6.077 1.00 0.00 H new ATOM 0 HA SER A 24 -7.622 1.747 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.334 3.514 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.829 2.055 -7.908 1.00 0.00 H new ATOM 0 HG SER A 24 -9.015 3.917 -8.615 1.00 0.00 H new ATOM 363 N LEU A 25 -8.176 4.050 -4.357 1.00 0.00 N ATOM 364 CA LEU A 25 -8.576 5.102 -3.424 1.00 0.00 C ATOM 365 C LEU A 25 -7.738 6.366 -3.616 1.00 0.00 C ATOM 366 O LEU A 25 -6.563 6.296 -3.977 1.00 0.00 O ATOM 367 CB LEU A 25 -8.445 4.606 -1.980 1.00 0.00 C ATOM 368 CG LEU A 25 -9.720 4.006 -1.382 1.00 0.00 C ATOM 369 CD1 LEU A 25 -9.390 2.794 -0.522 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.473 5.050 -0.570 1.00 0.00 C ATOM 0 H LEU A 25 -7.173 4.003 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.617 5.350 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.655 3.856 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.125 5.439 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.362 3.680 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.309 2.382 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.897 2.038 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.727 3.093 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.376 4.605 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.838 5.408 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.745 5.886 -1.215 1.00 0.00 H new ATOM 382 N GLN A 26 -8.357 7.522 -3.363 1.00 0.00 N ATOM 383 CA GLN A 26 -7.674 8.805 -3.498 1.00 0.00 C ATOM 384 C GLN A 26 -7.912 9.680 -2.270 1.00 0.00 C ATOM 385 O GLN A 26 -9.048 10.042 -1.963 1.00 0.00 O ATOM 386 CB GLN A 26 -8.143 9.533 -4.763 1.00 0.00 C ATOM 387 CG GLN A 26 -7.283 9.249 -5.986 1.00 0.00 C ATOM 388 CD GLN A 26 -7.989 9.588 -7.287 1.00 0.00 C ATOM 389 OE1 GLN A 26 -7.516 10.418 -8.063 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.127 8.946 -7.532 1.00 0.00 N ATOM 0 H GLN A 26 -9.330 7.593 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.605 8.610 -3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.172 9.244 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.147 10.606 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.359 9.824 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.003 8.196 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.483 8.265 -6.861 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.644 9.134 -8.391 1.00 0.00 H new ATOM 399 N LEU A 27 -6.828 10.011 -1.568 1.00 0.00 N ATOM 400 CA LEU A 27 -6.908 10.841 -0.368 1.00 0.00 C ATOM 401 C LEU A 27 -6.222 12.185 -0.590 1.00 0.00 C ATOM 402 O LEU A 27 -5.117 12.245 -1.133 1.00 0.00 O ATOM 403 CB LEU A 27 -6.264 10.122 0.821 1.00 0.00 C ATOM 404 CG LEU A 27 -6.677 8.660 1.004 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.563 7.869 1.672 1.00 0.00 C ATOM 406 CD2 LEU A 27 -7.964 8.567 1.812 1.00 0.00 C ATOM 0 H LEU A 27 -5.882 9.716 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.961 11.019 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.181 10.165 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.510 10.668 1.731 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.859 8.227 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.876 6.832 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.667 7.908 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.347 8.300 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.243 7.520 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.811 9.017 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.761 9.097 1.290 1.00 0.00 H new ATOM 418 N ASP A 28 -6.881 13.260 -0.162 1.00 0.00 N ATOM 419 CA ASP A 28 -6.333 14.607 -0.310 1.00 0.00 C ATOM 420 C ASP A 28 -6.275 15.324 1.039 1.00 0.00 C ATOM 421 O ASP A 28 -7.305 15.716 1.591 1.00 0.00 O ATOM 422 CB ASP A 28 -7.160 15.425 -1.311 1.00 0.00 C ATOM 423 CG ASP A 28 -8.643 15.455 -0.979 1.00 0.00 C ATOM 424 OD1 ASP A 28 -9.307 14.408 -1.129 1.00 0.00 O ATOM 425 OD2 ASP A 28 -9.139 16.528 -0.578 1.00 0.00 O ATOM 0 H ASP A 28 -7.795 13.225 0.290 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.317 14.514 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.780 16.446 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.026 15.008 -2.309 1.00 0.00 H new ATOM 430 N GLY A 29 -5.062 15.490 1.566 1.00 0.00 N ATOM 431 CA GLY A 29 -4.887 16.158 2.846 1.00 0.00 C ATOM 432 C GLY A 29 -3.550 16.867 2.952 1.00 0.00 C ATOM 433 O GLY A 29 -2.585 16.487 2.288 1.00 0.00 O ATOM 0 H GLY A 29 -4.197 15.173 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.690 16.881 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.971 15.426 3.649 1.00 0.00 H new ATOM 437 N VAL A 30 -3.489 17.899 3.795 1.00 0.00 N ATOM 438 CA VAL A 30 -2.254 18.657 3.987 1.00 0.00 C ATOM 439 C VAL A 30 -1.504 18.182 5.232 1.00 0.00 C ATOM 440 O VAL A 30 -0.288 17.994 5.198 1.00 0.00 O ATOM 441 CB VAL A 30 -2.515 20.180 4.081 1.00 0.00 C ATOM 442 CG1 VAL A 30 -3.125 20.696 2.785 1.00 0.00 C ATOM 443 CG2 VAL A 30 -3.410 20.517 5.268 1.00 0.00 C ATOM 0 H VAL A 30 -4.277 18.227 4.353 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.636 18.474 3.108 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.557 20.676 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.302 21.768 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.440 20.504 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.070 20.185 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.574 21.594 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.367 20.008 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.929 20.191 6.190 1.00 0.00 H new ATOM 453 N VAL A 31 -2.239 17.984 6.328 1.00 0.00 N ATOM 454 CA VAL A 31 -1.645 17.524 7.581 1.00 0.00 C ATOM 455 C VAL A 31 -1.655 15.993 7.683 1.00 0.00 C ATOM 456 O VAL A 31 -0.643 15.389 8.036 1.00 0.00 O ATOM 457 CB VAL A 31 -2.361 18.121 8.814 1.00 0.00 C ATOM 458 CG1 VAL A 31 -1.556 17.858 10.078 1.00 0.00 C ATOM 459 CG2 VAL A 31 -2.601 19.617 8.632 1.00 0.00 C ATOM 0 H VAL A 31 -3.247 18.136 6.371 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.613 17.874 7.573 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.330 17.632 8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.075 18.285 10.936 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.443 16.783 10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.572 18.317 9.984 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.106 20.014 9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.646 20.125 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.223 19.781 7.752 1.00 0.00 H new ATOM 469 N PRO A 32 -2.800 15.344 7.375 1.00 0.00 N ATOM 470 CA PRO A 32 -2.926 13.880 7.436 1.00 0.00 C ATOM 471 C PRO A 32 -1.824 13.157 6.660 1.00 0.00 C ATOM 472 O PRO A 32 -1.265 12.169 7.138 1.00 0.00 O ATOM 473 CB PRO A 32 -4.284 13.608 6.785 1.00 0.00 C ATOM 474 CG PRO A 32 -5.058 14.865 6.972 1.00 0.00 C ATOM 475 CD PRO A 32 -4.058 15.983 6.949 1.00 0.00 C ATOM 0 HA PRO A 32 -2.841 13.517 8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.174 13.366 5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.785 12.762 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.797 14.988 6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.602 14.850 7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.968 16.418 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.345 16.789 7.624 1.00 0.00 H new ATOM 483 N THR A 33 -1.524 13.653 5.459 1.00 0.00 N ATOM 484 CA THR A 33 -0.492 13.052 4.613 1.00 0.00 C ATOM 485 C THR A 33 0.908 13.425 5.111 1.00 0.00 C ATOM 486 O THR A 33 1.053 14.136 6.106 1.00 0.00 O ATOM 487 CB THR A 33 -0.677 13.489 3.150 1.00 0.00 C ATOM 488 OG1 THR A 33 -2.030 13.838 2.889 1.00 0.00 O ATOM 489 CG2 THR A 33 -0.284 12.421 2.150 1.00 0.00 C ATOM 0 H THR A 33 -1.980 14.469 5.050 1.00 0.00 H new ATOM 0 HA THR A 33 -0.594 11.968 4.669 1.00 0.00 H new ATOM 0 HB THR A 33 -0.017 14.347 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.089 14.797 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.439 12.795 1.138 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.767 12.165 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.896 11.533 2.306 1.00 0.00 H new ATOM 497 N GLY A 34 1.936 12.934 4.416 1.00 0.00 N ATOM 498 CA GLY A 34 3.309 13.221 4.810 1.00 0.00 C ATOM 499 C GLY A 34 3.954 12.059 5.542 1.00 0.00 C ATOM 500 O GLY A 34 4.670 12.256 6.527 1.00 0.00 O ATOM 0 H GLY A 34 1.843 12.344 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.896 13.460 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.324 14.103 5.450 1.00 0.00 H new ATOM 504 N THR A 35 3.699 10.846 5.056 1.00 0.00 N ATOM 505 CA THR A 35 4.252 9.633 5.656 1.00 0.00 C ATOM 506 C THR A 35 5.163 8.905 4.657 1.00 0.00 C ATOM 507 O THR A 35 5.665 9.516 3.714 1.00 0.00 O ATOM 508 CB THR A 35 3.107 8.723 6.123 1.00 0.00 C ATOM 509 OG1 THR A 35 3.603 7.630 6.878 1.00 0.00 O ATOM 510 CG2 THR A 35 2.281 8.160 4.985 1.00 0.00 C ATOM 0 H THR A 35 3.108 10.676 4.242 1.00 0.00 H new ATOM 0 HA THR A 35 4.858 9.904 6.520 1.00 0.00 H new ATOM 0 HB THR A 35 2.467 9.362 6.731 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.932 7.357 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.491 7.527 5.388 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.837 8.978 4.418 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.920 7.569 4.329 1.00 0.00 H new ATOM 518 N ASN A 36 5.374 7.604 4.870 1.00 0.00 N ATOM 519 CA ASN A 36 6.222 6.804 3.986 1.00 0.00 C ATOM 520 C ASN A 36 5.548 5.471 3.648 1.00 0.00 C ATOM 521 O ASN A 36 4.395 5.246 4.016 1.00 0.00 O ATOM 522 CB ASN A 36 7.590 6.571 4.641 1.00 0.00 C ATOM 523 CG ASN A 36 7.502 5.745 5.914 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.742 4.540 5.900 1.00 0.00 O ATOM 525 ND2 ASN A 36 7.152 6.392 7.023 1.00 0.00 N ATOM 0 H ASN A 36 4.969 7.083 5.648 1.00 0.00 H new ATOM 0 HA ASN A 36 6.369 7.351 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.246 6.067 3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.047 7.534 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.074 5.886 7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.961 7.394 6.991 1.00 0.00 H new ATOM 532 N LEU A 37 6.264 4.590 2.943 1.00 0.00 N ATOM 533 CA LEU A 37 5.710 3.290 2.565 1.00 0.00 C ATOM 534 C LEU A 37 5.321 2.474 3.794 1.00 0.00 C ATOM 535 O LEU A 37 4.241 1.883 3.831 1.00 0.00 O ATOM 536 CB LEU A 37 6.702 2.503 1.705 1.00 0.00 C ATOM 537 CG LEU A 37 6.092 1.330 0.933 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.648 1.274 -0.483 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.339 0.017 1.665 1.00 0.00 C ATOM 0 H LEU A 37 7.220 4.752 2.626 1.00 0.00 H new ATOM 0 HA LEU A 37 4.810 3.477 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.166 3.186 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.497 2.123 2.347 1.00 0.00 H new ATOM 0 HG LEU A 37 5.015 1.484 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.203 0.434 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.410 2.201 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.730 1.147 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.897 -0.804 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.412 -0.147 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.885 0.061 2.655 1.00 0.00 H new ATOM 551 N ASN A 38 6.192 2.457 4.803 1.00 0.00 N ATOM 552 CA ASN A 38 5.910 1.726 6.035 1.00 0.00 C ATOM 553 C ASN A 38 4.634 2.267 6.675 1.00 0.00 C ATOM 554 O ASN A 38 3.852 1.519 7.262 1.00 0.00 O ATOM 555 CB ASN A 38 7.079 1.833 7.017 1.00 0.00 C ATOM 556 CG ASN A 38 6.978 0.821 8.141 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.260 -0.360 7.954 1.00 0.00 O ATOM 558 ND2 ASN A 38 6.566 1.279 9.319 1.00 0.00 N ATOM 0 H ASN A 38 7.092 2.938 4.791 1.00 0.00 H new ATOM 0 HA ASN A 38 5.772 0.673 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.016 1.685 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.107 2.838 7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.474 0.642 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.342 2.268 9.432 1.00 0.00 H new ATOM 565 N GLY A 39 4.422 3.577 6.528 1.00 0.00 N ATOM 566 CA GLY A 39 3.231 4.202 7.062 1.00 0.00 C ATOM 567 C GLY A 39 2.015 3.914 6.201 1.00 0.00 C ATOM 568 O GLY A 39 0.906 3.773 6.714 1.00 0.00 O ATOM 0 H GLY A 39 5.059 4.212 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.054 3.842 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.383 5.279 7.129 1.00 0.00 H new ATOM 572 N LEU A 40 2.230 3.813 4.882 1.00 0.00 N ATOM 573 CA LEU A 40 1.146 3.524 3.947 1.00 0.00 C ATOM 574 C LEU A 40 0.507 2.176 4.266 1.00 0.00 C ATOM 575 O LEU A 40 -0.714 2.077 4.419 1.00 0.00 O ATOM 576 CB LEU A 40 1.664 3.519 2.505 1.00 0.00 C ATOM 577 CG LEU A 40 1.666 4.875 1.800 1.00 0.00 C ATOM 578 CD1 LEU A 40 2.344 4.765 0.440 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.244 5.401 1.654 1.00 0.00 C ATOM 0 H LEU A 40 3.144 3.928 4.444 1.00 0.00 H new ATOM 0 HA LEU A 40 0.395 4.307 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.681 3.128 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.056 2.827 1.922 1.00 0.00 H new ATOM 0 HG LEU A 40 2.230 5.583 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.337 5.739 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.374 4.432 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.807 4.045 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.263 6.367 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.346 4.697 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.205 5.515 2.641 1.00 0.00 H new ATOM 591 N VAL A 41 1.341 1.140 4.370 1.00 0.00 N ATOM 592 CA VAL A 41 0.851 -0.205 4.676 1.00 0.00 C ATOM 593 C VAL A 41 0.131 -0.231 6.020 1.00 0.00 C ATOM 594 O VAL A 41 -1.034 -0.614 6.095 1.00 0.00 O ATOM 595 CB VAL A 41 1.977 -1.269 4.678 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.173 -1.834 3.280 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.286 -0.712 5.223 1.00 0.00 C ATOM 0 H VAL A 41 2.352 1.205 4.248 1.00 0.00 H new ATOM 0 HA VAL A 41 0.153 -0.460 3.878 1.00 0.00 H new ATOM 0 HB VAL A 41 1.668 -2.075 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.967 -2.580 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.246 -2.298 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.446 -1.029 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.048 -1.491 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.610 0.126 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.138 -0.371 6.248 1.00 0.00 H new ATOM 607 N GLN A 42 0.826 0.190 7.077 1.00 0.00 N ATOM 608 CA GLN A 42 0.248 0.224 8.422 1.00 0.00 C ATOM 609 C GLN A 42 -1.110 0.939 8.433 1.00 0.00 C ATOM 610 O GLN A 42 -1.983 0.612 9.238 1.00 0.00 O ATOM 611 CB GLN A 42 1.215 0.917 9.390 1.00 0.00 C ATOM 612 CG GLN A 42 0.829 0.771 10.854 1.00 0.00 C ATOM 613 CD GLN A 42 1.903 0.080 11.676 1.00 0.00 C ATOM 614 OE1 GLN A 42 1.774 -1.091 12.031 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.973 0.804 11.985 1.00 0.00 N ATOM 0 H GLN A 42 1.792 0.513 7.028 1.00 0.00 H new ATOM 0 HA GLN A 42 0.087 -0.805 8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.215 0.508 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.266 1.977 9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.634 1.758 11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.099 0.204 10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.042 1.772 11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.726 0.392 12.536 1.00 0.00 H new ATOM 624 N LEU A 43 -1.283 1.913 7.535 1.00 0.00 N ATOM 625 CA LEU A 43 -2.532 2.669 7.445 1.00 0.00 C ATOM 626 C LEU A 43 -3.666 1.837 6.830 1.00 0.00 C ATOM 627 O LEU A 43 -4.836 2.081 7.116 1.00 0.00 O ATOM 628 CB LEU A 43 -2.324 3.947 6.624 1.00 0.00 C ATOM 629 CG LEU A 43 -3.307 5.084 6.922 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.779 5.974 8.038 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.574 5.904 5.667 1.00 0.00 C ATOM 0 H LEU A 43 -0.572 2.196 6.860 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.824 2.931 8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.311 4.310 6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.395 3.695 5.566 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.248 4.643 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.492 6.775 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.642 5.381 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.823 6.405 7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.274 6.706 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.639 6.332 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.000 5.262 4.897 1.00 0.00 H new ATOM 643 N LEU A 44 -3.322 0.865 5.978 1.00 0.00 N ATOM 644 CA LEU A 44 -4.337 0.024 5.336 1.00 0.00 C ATOM 645 C LEU A 44 -4.537 -1.306 6.070 1.00 0.00 C ATOM 646 O LEU A 44 -5.671 -1.758 6.239 1.00 0.00 O ATOM 647 CB LEU A 44 -3.986 -0.229 3.860 1.00 0.00 C ATOM 648 CG LEU A 44 -2.938 -1.319 3.595 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.591 -2.694 3.510 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.171 -1.014 2.317 1.00 0.00 C ATOM 0 H LEU A 44 -2.361 0.643 5.720 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.278 0.571 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.901 -0.496 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.627 0.705 3.427 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.237 -1.329 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.827 -3.449 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.096 -2.916 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.317 -2.702 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.431 -1.795 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.864 -0.976 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.667 -0.053 2.416 1.00 0.00 H new ATOM 662 N LYS A 45 -3.441 -1.941 6.491 1.00 0.00 N ATOM 663 CA LYS A 45 -3.526 -3.224 7.183 1.00 0.00 C ATOM 664 C LYS A 45 -3.786 -3.045 8.679 1.00 0.00 C ATOM 665 O LYS A 45 -4.866 -3.375 9.159 1.00 0.00 O ATOM 666 CB LYS A 45 -2.264 -4.068 6.946 1.00 0.00 C ATOM 667 CG LYS A 45 -0.969 -3.274 6.869 1.00 0.00 C ATOM 668 CD LYS A 45 0.215 -4.076 7.389 1.00 0.00 C ATOM 669 CE LYS A 45 1.219 -3.182 8.102 1.00 0.00 C ATOM 670 NZ LYS A 45 2.352 -3.960 8.673 1.00 0.00 N ATOM 0 H LYS A 45 -2.492 -1.589 6.365 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.377 -3.760 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.178 -4.800 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.387 -4.626 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.784 -2.980 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.070 -2.356 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.138 -4.847 8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.704 -4.586 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.605 -2.440 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.716 -2.636 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.012 -3.313 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.988 -4.651 9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.849 -4.461 7.909 1.00 0.00 H new ATOM 684 N THR A 46 -2.808 -2.521 9.414 1.00 0.00 N ATOM 685 CA THR A 46 -2.967 -2.312 10.856 1.00 0.00 C ATOM 686 C THR A 46 -4.263 -1.559 11.174 1.00 0.00 C ATOM 687 O THR A 46 -4.845 -1.740 12.245 1.00 0.00 O ATOM 688 CB THR A 46 -1.765 -1.556 11.422 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.559 -2.032 10.846 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.638 -1.675 12.927 1.00 0.00 C ATOM 0 H THR A 46 -1.903 -2.234 9.041 1.00 0.00 H new ATOM 0 HA THR A 46 -3.024 -3.293 11.328 1.00 0.00 H new ATOM 0 HB THR A 46 -1.935 -0.509 11.172 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.197 -1.781 11.416 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.765 -1.116 13.264 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.533 -1.271 13.401 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.525 -2.724 13.201 1.00 0.00 H new ATOM 698 N ASN A 47 -4.715 -0.723 10.238 1.00 0.00 N ATOM 699 CA ASN A 47 -5.944 0.045 10.420 1.00 0.00 C ATOM 700 C ASN A 47 -7.181 -0.803 10.107 1.00 0.00 C ATOM 701 O ASN A 47 -8.228 -0.633 10.736 1.00 0.00 O ATOM 702 CB ASN A 47 -5.923 1.291 9.533 1.00 0.00 C ATOM 703 CG ASN A 47 -6.528 2.504 10.216 1.00 0.00 C ATOM 704 OD1 ASN A 47 -7.553 2.404 10.890 1.00 0.00 O ATOM 705 ND2 ASN A 47 -5.898 3.660 10.040 1.00 0.00 N ATOM 0 H ASN A 47 -4.247 -0.562 9.346 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.999 0.349 11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.894 1.514 9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.470 1.086 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.261 4.510 10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.051 3.698 9.473 1.00 0.00 H new ATOM 712 N TYR A 48 -7.061 -1.708 9.132 1.00 0.00 N ATOM 713 CA TYR A 48 -8.177 -2.573 8.746 1.00 0.00 C ATOM 714 C TYR A 48 -7.748 -4.042 8.673 1.00 0.00 C ATOM 715 O TYR A 48 -8.186 -4.858 9.484 1.00 0.00 O ATOM 716 CB TYR A 48 -8.756 -2.125 7.403 1.00 0.00 C ATOM 717 CG TYR A 48 -10.269 -2.163 7.348 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.947 -3.353 7.103 1.00 0.00 C ATOM 719 CD2 TYR A 48 -11.019 -1.009 7.540 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.327 -3.390 7.049 1.00 0.00 C ATOM 721 CE2 TYR A 48 -12.400 -1.040 7.489 1.00 0.00 C ATOM 722 CZ TYR A 48 -13.050 -2.230 7.243 1.00 0.00 C ATOM 723 OH TYR A 48 -14.425 -2.264 7.188 1.00 0.00 O ATOM 0 H TYR A 48 -6.205 -1.860 8.598 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.946 -2.486 9.513 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.419 -1.110 7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.357 -2.763 6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.385 -4.263 6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.515 -0.073 7.732 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.838 -4.322 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.968 -0.134 7.642 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.781 -1.365 7.347 1.00 0.00 H new ATOM 733 N VAL A 49 -6.900 -4.368 7.688 1.00 0.00 N ATOM 734 CA VAL A 49 -6.406 -5.737 7.482 1.00 0.00 C ATOM 735 C VAL A 49 -7.539 -6.766 7.592 1.00 0.00 C ATOM 736 O VAL A 49 -7.635 -7.518 8.563 1.00 0.00 O ATOM 737 CB VAL A 49 -5.237 -6.101 8.442 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.658 -6.047 9.908 1.00 0.00 C ATOM 739 CG2 VAL A 49 -4.667 -7.469 8.093 1.00 0.00 C ATOM 0 H VAL A 49 -6.538 -3.693 7.014 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.010 -5.770 6.467 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.458 -5.351 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.809 -6.309 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.996 -5.040 10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.470 -6.754 10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.850 -7.708 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.449 -8.223 8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.293 -7.457 7.069 1.00 0.00 H new ATOM 749 N LYS A 50 -8.397 -6.782 6.574 1.00 0.00 N ATOM 750 CA LYS A 50 -9.530 -7.705 6.529 1.00 0.00 C ATOM 751 C LYS A 50 -9.077 -9.146 6.746 1.00 0.00 C ATOM 752 O LYS A 50 -9.627 -9.857 7.587 1.00 0.00 O ATOM 753 CB LYS A 50 -10.256 -7.580 5.189 1.00 0.00 C ATOM 754 CG LYS A 50 -11.607 -6.898 5.301 1.00 0.00 C ATOM 755 CD LYS A 50 -12.732 -7.806 4.835 1.00 0.00 C ATOM 756 CE LYS A 50 -12.886 -9.016 5.743 1.00 0.00 C ATOM 757 NZ LYS A 50 -13.811 -10.031 5.169 1.00 0.00 N ATOM 0 H LYS A 50 -8.329 -6.164 5.766 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.214 -7.440 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.630 -7.019 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.392 -8.574 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.782 -6.603 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.605 -5.985 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.667 -7.246 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.534 -8.138 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.909 -9.470 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.259 -8.694 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.887 -10.839 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.751 -9.607 5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.442 -10.358 4.253 1.00 0.00 H new ATOM 771 N GLU A 51 -8.062 -9.564 5.992 1.00 0.00 N ATOM 772 CA GLU A 51 -7.527 -10.915 6.113 1.00 0.00 C ATOM 773 C GLU A 51 -6.380 -10.936 7.129 1.00 0.00 C ATOM 774 O GLU A 51 -6.227 -10.000 7.914 1.00 0.00 O ATOM 775 CB GLU A 51 -7.055 -11.421 4.744 1.00 0.00 C ATOM 776 CG GLU A 51 -7.484 -12.848 4.433 1.00 0.00 C ATOM 777 CD GLU A 51 -8.993 -13.003 4.362 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.565 -12.768 3.277 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.602 -13.356 5.394 1.00 0.00 O ATOM 0 H GLU A 51 -7.596 -8.986 5.293 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.313 -11.580 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.442 -10.759 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.968 -11.361 4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.046 -13.156 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.090 -13.517 5.198 1.00 0.00 H new ATOM 786 N ARG A 52 -5.579 -12.000 7.118 1.00 0.00 N ATOM 787 CA ARG A 52 -4.459 -12.118 8.051 1.00 0.00 C ATOM 788 C ARG A 52 -3.391 -11.056 7.773 1.00 0.00 C ATOM 789 O ARG A 52 -3.010 -10.835 6.625 1.00 0.00 O ATOM 790 CB ARG A 52 -3.838 -13.515 7.971 1.00 0.00 C ATOM 791 CG ARG A 52 -3.426 -14.074 9.322 1.00 0.00 C ATOM 792 CD ARG A 52 -3.540 -15.590 9.356 1.00 0.00 C ATOM 793 NE ARG A 52 -3.574 -16.107 10.723 1.00 0.00 N ATOM 794 CZ ARG A 52 -2.507 -16.173 11.523 1.00 0.00 C ATOM 795 NH1 ARG A 52 -1.315 -15.755 11.099 1.00 0.00 N ATOM 796 NH2 ARG A 52 -2.633 -16.657 12.755 1.00 0.00 N ATOM 0 H ARG A 52 -5.683 -12.788 6.478 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.848 -11.958 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.553 -14.195 7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.964 -13.479 7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.399 -13.780 9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.054 -13.643 10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.444 -15.897 8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.696 -16.029 8.823 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.467 -16.437 11.088 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.212 -15.381 10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.506 -15.809 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.543 -16.977 13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.820 -16.709 13.368 1.00 0.00 H new ATOM 810 N PRO A 53 -2.887 -10.386 8.827 1.00 0.00 N ATOM 811 CA PRO A 53 -1.854 -9.353 8.686 1.00 0.00 C ATOM 812 C PRO A 53 -0.463 -9.943 8.463 1.00 0.00 C ATOM 813 O PRO A 53 0.408 -9.293 7.882 1.00 0.00 O ATOM 814 CB PRO A 53 -1.910 -8.619 10.023 1.00 0.00 C ATOM 815 CG PRO A 53 -2.379 -9.643 11.000 1.00 0.00 C ATOM 816 CD PRO A 53 -3.279 -10.582 10.237 1.00 0.00 C ATOM 0 HA PRO A 53 -2.032 -8.715 7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.932 -8.227 10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.593 -7.771 9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.536 -10.181 11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.916 -9.175 11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.135 -11.616 10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.331 -10.344 10.396 1.00 0.00 H new ATOM 824 N ASP A 54 -0.258 -11.176 8.933 1.00 0.00 N ATOM 825 CA ASP A 54 1.030 -11.850 8.790 1.00 0.00 C ATOM 826 C ASP A 54 1.121 -12.658 7.490 1.00 0.00 C ATOM 827 O ASP A 54 2.080 -13.404 7.290 1.00 0.00 O ATOM 828 CB ASP A 54 1.279 -12.766 9.991 1.00 0.00 C ATOM 829 CG ASP A 54 2.749 -12.852 10.358 1.00 0.00 C ATOM 830 OD1 ASP A 54 3.371 -11.788 10.571 1.00 0.00 O ATOM 831 OD2 ASP A 54 3.276 -13.979 10.432 1.00 0.00 O ATOM 0 H ASP A 54 -0.969 -11.726 9.415 1.00 0.00 H new ATOM 0 HA ASP A 54 1.798 -11.077 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.714 -12.399 10.848 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.904 -13.765 9.767 1.00 0.00 H new ATOM 836 N LEU A 55 0.132 -12.509 6.605 1.00 0.00 N ATOM 837 CA LEU A 55 0.135 -13.232 5.334 1.00 0.00 C ATOM 838 C LEU A 55 0.814 -12.416 4.231 1.00 0.00 C ATOM 839 O LEU A 55 1.343 -12.982 3.271 1.00 0.00 O ATOM 840 CB LEU A 55 -1.297 -13.612 4.923 1.00 0.00 C ATOM 841 CG LEU A 55 -2.158 -12.476 4.357 1.00 0.00 C ATOM 842 CD1 LEU A 55 -1.886 -12.276 2.872 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.633 -12.767 4.588 1.00 0.00 C ATOM 0 H LEU A 55 -0.674 -11.899 6.744 1.00 0.00 H new ATOM 0 HA LEU A 55 0.710 -14.148 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.241 -14.405 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.805 -14.028 5.793 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.894 -11.556 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.509 -11.465 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.835 -12.026 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.119 -13.194 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.233 -11.953 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.902 -13.699 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.823 -12.858 5.657 1.00 0.00 H new ATOM 855 N LEU A 56 0.798 -11.087 4.370 1.00 0.00 N ATOM 856 CA LEU A 56 1.412 -10.207 3.376 1.00 0.00 C ATOM 857 C LEU A 56 2.807 -9.762 3.796 1.00 0.00 C ATOM 858 O LEU A 56 3.727 -9.765 2.982 1.00 0.00 O ATOM 859 CB LEU A 56 0.548 -8.967 3.109 1.00 0.00 C ATOM 860 CG LEU A 56 -0.035 -8.266 4.343 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.306 -6.800 4.040 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.310 -8.958 4.807 1.00 0.00 C ATOM 0 H LEU A 56 0.369 -10.601 5.157 1.00 0.00 H new ATOM 0 HA LEU A 56 1.491 -10.792 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.148 -8.244 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.277 -9.258 2.459 1.00 0.00 H new ATOM 0 HG LEU A 56 0.697 -8.326 5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.719 -6.316 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.625 -6.308 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.018 -6.724 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.705 -8.443 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.050 -8.932 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.089 -9.994 5.064 1.00 0.00 H new ATOM 874 N VAL A 57 2.958 -9.362 5.057 1.00 0.00 N ATOM 875 CA VAL A 57 4.250 -8.896 5.557 1.00 0.00 C ATOM 876 C VAL A 57 5.343 -9.933 5.335 1.00 0.00 C ATOM 877 O VAL A 57 5.093 -11.139 5.353 1.00 0.00 O ATOM 878 CB VAL A 57 4.208 -8.536 7.057 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.436 -7.246 7.277 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.615 -9.674 7.876 1.00 0.00 C ATOM 0 H VAL A 57 2.207 -9.351 5.747 1.00 0.00 H new ATOM 0 HA VAL A 57 4.477 -7.995 4.988 1.00 0.00 H new ATOM 0 HB VAL A 57 5.232 -8.381 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.418 -7.010 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.920 -6.435 6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.415 -7.367 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.597 -9.394 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.599 -9.875 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.224 -10.569 7.749 1.00 0.00 H new ATOM 890 N ASP A 58 6.558 -9.441 5.128 1.00 0.00 N ATOM 891 CA ASP A 58 7.716 -10.300 4.902 1.00 0.00 C ATOM 892 C ASP A 58 8.001 -11.149 6.136 1.00 0.00 C ATOM 893 O ASP A 58 8.021 -12.379 6.063 1.00 0.00 O ATOM 894 CB ASP A 58 8.942 -9.455 4.547 1.00 0.00 C ATOM 895 CG ASP A 58 10.091 -10.292 4.022 1.00 0.00 C ATOM 896 OD1 ASP A 58 10.029 -10.717 2.849 1.00 0.00 O ATOM 897 OD2 ASP A 58 11.051 -10.525 4.788 1.00 0.00 O ATOM 0 H ASP A 58 6.769 -8.443 5.112 1.00 0.00 H new ATOM 0 HA ASP A 58 7.494 -10.965 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.664 -8.714 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.270 -8.907 5.430 1.00 0.00 H new ATOM 902 N GLN A 59 8.207 -10.482 7.272 1.00 0.00 N ATOM 903 CA GLN A 59 8.477 -11.172 8.531 1.00 0.00 C ATOM 904 C GLN A 59 8.524 -10.197 9.705 1.00 0.00 C ATOM 905 O GLN A 59 7.956 -10.467 10.763 1.00 0.00 O ATOM 906 CB GLN A 59 9.792 -11.959 8.450 1.00 0.00 C ATOM 907 CG GLN A 59 9.953 -12.993 9.557 1.00 0.00 C ATOM 908 CD GLN A 59 9.617 -14.400 9.099 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.480 -15.277 9.072 1.00 0.00 O ATOM 910 NE2 GLN A 59 8.358 -14.624 8.738 1.00 0.00 N ATOM 0 H GLN A 59 8.192 -9.465 7.345 1.00 0.00 H new ATOM 0 HA GLN A 59 7.657 -11.870 8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.846 -12.462 7.484 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.627 -11.260 8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.979 -12.970 9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.310 -12.725 10.395 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.674 -13.868 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.075 -15.552 8.423 1.00 0.00 H new ATOM 919 N THR A 60 9.204 -9.068 9.514 1.00 0.00 N ATOM 920 CA THR A 60 9.323 -8.059 10.565 1.00 0.00 C ATOM 921 C THR A 60 8.134 -7.091 10.560 1.00 0.00 C ATOM 922 O THR A 60 8.165 -6.065 11.241 1.00 0.00 O ATOM 923 CB THR A 60 10.633 -7.282 10.403 1.00 0.00 C ATOM 924 OG1 THR A 60 10.757 -6.778 9.085 1.00 0.00 O ATOM 925 CG2 THR A 60 11.864 -8.118 10.691 1.00 0.00 C ATOM 0 H THR A 60 9.680 -8.829 8.644 1.00 0.00 H new ATOM 0 HA THR A 60 9.325 -8.578 11.523 1.00 0.00 H new ATOM 0 HB THR A 60 10.582 -6.474 11.133 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.599 -6.283 9.002 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.757 -7.508 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.824 -8.484 11.717 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.897 -8.965 10.005 1.00 0.00 H new ATOM 933 N GLY A 61 7.087 -7.413 9.791 1.00 0.00 N ATOM 934 CA GLY A 61 5.917 -6.551 9.721 1.00 0.00 C ATOM 935 C GLY A 61 6.252 -5.145 9.251 1.00 0.00 C ATOM 936 O GLY A 61 5.505 -4.201 9.516 1.00 0.00 O ATOM 0 H GLY A 61 7.032 -8.255 9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.186 -6.992 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.449 -6.499 10.704 1.00 0.00 H new ATOM 940 N GLN A 62 7.379 -5.011 8.554 1.00 0.00 N ATOM 941 CA GLN A 62 7.829 -3.716 8.042 1.00 0.00 C ATOM 942 C GLN A 62 7.705 -3.659 6.520 1.00 0.00 C ATOM 943 O GLN A 62 7.404 -2.609 5.947 1.00 0.00 O ATOM 944 CB GLN A 62 9.283 -3.468 8.458 1.00 0.00 C ATOM 945 CG GLN A 62 9.685 -2.002 8.465 1.00 0.00 C ATOM 946 CD GLN A 62 11.116 -1.794 8.928 1.00 0.00 C ATOM 947 OE1 GLN A 62 12.042 -2.425 8.420 1.00 0.00 O ATOM 948 NE2 GLN A 62 11.304 -0.906 9.899 1.00 0.00 N ATOM 0 H GLN A 62 8.001 -5.788 8.329 1.00 0.00 H new ATOM 0 HA GLN A 62 7.194 -2.939 8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.440 -3.882 9.454 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.941 -4.011 7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.568 -1.592 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.011 -1.447 9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.508 -0.404 10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.244 -0.726 10.251 1.00 0.00 H new ATOM 957 N THR A 63 7.937 -4.801 5.876 1.00 0.00 N ATOM 958 CA THR A 63 7.852 -4.907 4.424 1.00 0.00 C ATOM 959 C THR A 63 6.964 -6.092 4.040 1.00 0.00 C ATOM 960 O THR A 63 6.511 -6.835 4.913 1.00 0.00 O ATOM 961 CB THR A 63 9.263 -5.050 3.825 1.00 0.00 C ATOM 962 OG1 THR A 63 9.208 -5.355 2.439 1.00 0.00 O ATOM 963 CG2 THR A 63 10.105 -6.112 4.509 1.00 0.00 C ATOM 0 H THR A 63 8.187 -5.672 6.343 1.00 0.00 H new ATOM 0 HA THR A 63 7.402 -4.001 4.019 1.00 0.00 H new ATOM 0 HB THR A 63 9.736 -4.081 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.118 -5.438 2.086 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.086 -6.159 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.222 -5.861 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.613 -7.080 4.419 1.00 0.00 H new ATOM 971 N LEU A 64 6.706 -6.261 2.746 1.00 0.00 N ATOM 972 CA LEU A 64 5.862 -7.359 2.275 1.00 0.00 C ATOM 973 C LEU A 64 6.697 -8.577 1.888 1.00 0.00 C ATOM 974 O LEU A 64 7.888 -8.464 1.598 1.00 0.00 O ATOM 975 CB LEU A 64 5.011 -6.914 1.082 1.00 0.00 C ATOM 976 CG LEU A 64 3.807 -6.023 1.412 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.841 -5.991 0.239 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.094 -6.506 2.673 1.00 0.00 C ATOM 0 H LEU A 64 7.066 -5.657 2.008 1.00 0.00 H new ATOM 0 HA LEU A 64 5.204 -7.641 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.653 -6.379 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.649 -7.804 0.567 1.00 0.00 H new ATOM 0 HG LEU A 64 4.173 -5.013 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.990 -5.355 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.349 -5.593 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.490 -7.001 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.245 -5.856 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.741 -7.526 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.786 -6.481 3.515 1.00 0.00 H new ATOM 990 N ARG A 65 6.053 -9.743 1.887 1.00 0.00 N ATOM 991 CA ARG A 65 6.715 -10.998 1.542 1.00 0.00 C ATOM 992 C ARG A 65 6.766 -11.198 0.025 1.00 0.00 C ATOM 993 O ARG A 65 6.068 -10.510 -0.723 1.00 0.00 O ATOM 994 CB ARG A 65 5.984 -12.175 2.202 1.00 0.00 C ATOM 995 CG ARG A 65 4.593 -12.428 1.635 1.00 0.00 C ATOM 996 CD ARG A 65 4.470 -13.826 1.046 1.00 0.00 C ATOM 997 NE ARG A 65 3.691 -14.720 1.905 1.00 0.00 N ATOM 998 CZ ARG A 65 3.682 -16.051 1.787 1.00 0.00 C ATOM 999 NH1 ARG A 65 4.405 -16.649 0.844 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.952 -16.786 2.618 1.00 0.00 N ATOM 0 H ARG A 65 5.066 -9.844 2.123 1.00 0.00 H new ATOM 0 HA ARG A 65 7.739 -10.954 1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.585 -13.077 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.901 -11.986 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.850 -12.298 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.374 -11.688 0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.999 -13.765 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.465 -14.244 0.896 1.00 0.00 H new ATOM 0 HE ARG A 65 3.120 -14.301 2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.971 -16.091 0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.393 -17.665 0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.398 -16.334 3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.945 -17.802 2.528 1.00 0.00 H new ATOM 1014 N PRO A 66 7.595 -12.154 -0.450 1.00 0.00 N ATOM 1015 CA PRO A 66 7.730 -12.448 -1.882 1.00 0.00 C ATOM 1016 C PRO A 66 6.393 -12.783 -2.536 1.00 0.00 C ATOM 1017 O PRO A 66 5.638 -13.620 -2.034 1.00 0.00 O ATOM 1018 CB PRO A 66 8.659 -13.665 -1.919 1.00 0.00 C ATOM 1019 CG PRO A 66 9.406 -13.616 -0.631 1.00 0.00 C ATOM 1020 CD PRO A 66 8.460 -13.019 0.373 1.00 0.00 C ATOM 0 HA PRO A 66 8.112 -11.589 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.093 -14.592 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.337 -13.619 -2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.722 -14.613 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.308 -13.011 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.885 -13.787 0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.990 -12.449 1.136 1.00 0.00 H new ATOM 1028 N GLY A 67 6.109 -12.116 -3.650 1.00 0.00 N ATOM 1029 CA GLY A 67 4.864 -12.338 -4.360 1.00 0.00 C ATOM 1030 C GLY A 67 4.236 -11.042 -4.834 1.00 0.00 C ATOM 1031 O GLY A 67 3.866 -10.917 -6.001 1.00 0.00 O ATOM 0 H GLY A 67 6.723 -11.422 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.047 -12.986 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.165 -12.862 -3.708 1.00 0.00 H new ATOM 1035 N ILE A 68 4.125 -10.071 -3.928 1.00 0.00 N ATOM 1036 CA ILE A 68 3.547 -8.771 -4.262 1.00 0.00 C ATOM 1037 C ILE A 68 4.638 -7.771 -4.636 1.00 0.00 C ATOM 1038 O ILE A 68 5.659 -7.668 -3.953 1.00 0.00 O ATOM 1039 CB ILE A 68 2.718 -8.194 -3.094 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.736 -9.239 -2.558 1.00 0.00 C ATOM 1041 CG2 ILE A 68 1.973 -6.942 -3.533 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.602 -9.210 -1.052 1.00 0.00 C ATOM 0 H ILE A 68 4.428 -10.160 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 68 2.887 -8.931 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 68 3.404 -7.924 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.757 -9.073 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.065 -10.231 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.395 -6.550 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.689 -6.189 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.301 -7.188 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.892 -9.974 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.573 -9.406 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.244 -8.230 -0.737 1.00 0.00 H new ATOM 1054 N LEU A 69 4.414 -7.032 -5.722 1.00 0.00 N ATOM 1055 CA LEU A 69 5.377 -6.037 -6.183 1.00 0.00 C ATOM 1056 C LEU A 69 4.829 -4.623 -6.006 1.00 0.00 C ATOM 1057 O LEU A 69 3.804 -4.267 -6.590 1.00 0.00 O ATOM 1058 CB LEU A 69 5.733 -6.281 -7.654 1.00 0.00 C ATOM 1059 CG LEU A 69 6.814 -7.340 -7.893 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.873 -7.719 -9.365 1.00 0.00 C ATOM 1061 CD2 LEU A 69 8.170 -6.836 -7.413 1.00 0.00 C ATOM 0 H LEU A 69 3.575 -7.105 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 69 6.279 -6.135 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.830 -6.580 -8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.065 -5.340 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 69 6.557 -8.231 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.646 -8.472 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.909 -8.121 -9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.106 -6.835 -9.959 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.926 -7.601 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.435 -5.930 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.120 -6.616 -6.347 1.00 0.00 H new ATOM 1073 N VAL A 70 5.521 -3.821 -5.194 1.00 0.00 N ATOM 1074 CA VAL A 70 5.107 -2.441 -4.941 1.00 0.00 C ATOM 1075 C VAL A 70 5.655 -1.499 -6.012 1.00 0.00 C ATOM 1076 O VAL A 70 6.862 -1.461 -6.263 1.00 0.00 O ATOM 1077 CB VAL A 70 5.562 -1.946 -3.547 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.896 -2.754 -2.440 1.00 0.00 C ATOM 1079 CG2 VAL A 70 7.079 -1.999 -3.417 1.00 0.00 C ATOM 0 H VAL A 70 6.369 -4.103 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 70 4.017 -2.433 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 70 5.251 -0.907 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.232 -2.388 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.814 -2.648 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.166 -3.805 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.372 -1.646 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.420 -3.025 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.532 -1.364 -4.178 1.00 0.00 H new ATOM 1089 N LEU A 71 4.759 -0.747 -6.646 1.00 0.00 N ATOM 1090 CA LEU A 71 5.147 0.190 -7.698 1.00 0.00 C ATOM 1091 C LEU A 71 4.737 1.618 -7.341 1.00 0.00 C ATOM 1092 O LEU A 71 3.593 1.867 -6.956 1.00 0.00 O ATOM 1093 CB LEU A 71 4.516 -0.208 -9.039 1.00 0.00 C ATOM 1094 CG LEU A 71 4.242 -1.704 -9.226 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.539 -1.953 -10.551 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.538 -2.501 -9.150 1.00 0.00 C ATOM 0 H LEU A 71 3.758 -0.768 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 71 6.232 0.151 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.576 0.332 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.173 0.126 -9.842 1.00 0.00 H new ATOM 0 HG LEU A 71 3.588 -2.037 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.352 -3.020 -10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.592 -1.414 -10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.169 -1.603 -11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.322 -3.561 -9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.217 -2.166 -9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.003 -2.347 -8.176 1.00 0.00 H new ATOM 1108 N VAL A 72 5.678 2.551 -7.485 1.00 0.00 N ATOM 1109 CA VAL A 72 5.419 3.959 -7.194 1.00 0.00 C ATOM 1110 C VAL A 72 5.251 4.755 -8.484 1.00 0.00 C ATOM 1111 O VAL A 72 6.235 5.127 -9.128 1.00 0.00 O ATOM 1112 CB VAL A 72 6.540 4.603 -6.345 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.344 4.288 -4.871 1.00 0.00 C ATOM 1114 CG2 VAL A 72 7.918 4.155 -6.818 1.00 0.00 C ATOM 0 H VAL A 72 6.628 2.356 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 72 4.496 3.989 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 72 6.481 5.684 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.143 4.750 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.382 4.680 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.366 3.208 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.685 4.625 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.997 3.071 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.059 4.448 -7.858 1.00 0.00 H new ATOM 1124 N ASN A 73 3.997 5.005 -8.859 1.00 0.00 N ATOM 1125 CA ASN A 73 3.690 5.752 -10.080 1.00 0.00 C ATOM 1126 C ASN A 73 4.267 5.042 -11.308 1.00 0.00 C ATOM 1127 O ASN A 73 4.968 5.646 -12.123 1.00 0.00 O ATOM 1128 CB ASN A 73 4.224 7.187 -9.978 1.00 0.00 C ATOM 1129 CG ASN A 73 3.197 8.215 -10.413 1.00 0.00 C ATOM 1130 OD1 ASN A 73 2.963 8.410 -11.606 1.00 0.00 O ATOM 1131 ND2 ASN A 73 2.574 8.882 -9.445 1.00 0.00 N ATOM 0 H ASN A 73 3.176 4.701 -8.335 1.00 0.00 H new ATOM 0 HA ASN A 73 2.607 5.797 -10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.524 7.389 -8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.117 7.285 -10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.873 9.585 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.797 8.690 -8.468 1.00 0.00 H new ATOM 1138 N SER A 74 3.964 3.746 -11.424 1.00 0.00 N ATOM 1139 CA SER A 74 4.440 2.925 -12.538 1.00 0.00 C ATOM 1140 C SER A 74 5.965 2.759 -12.503 1.00 0.00 C ATOM 1141 O SER A 74 6.617 2.701 -13.549 1.00 0.00 O ATOM 1142 CB SER A 74 4.001 3.531 -13.876 1.00 0.00 C ATOM 1143 OG SER A 74 3.824 2.526 -14.859 1.00 0.00 O ATOM 0 H SER A 74 3.386 3.240 -10.753 1.00 0.00 H new ATOM 0 HA SER A 74 3.994 1.936 -12.434 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.069 4.080 -13.741 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.748 4.249 -14.216 1.00 0.00 H new ATOM 0 HG SER A 74 3.543 2.939 -15.702 1.00 0.00 H new ATOM 1149 N CYS A 75 6.528 2.673 -11.295 1.00 0.00 N ATOM 1150 CA CYS A 75 7.970 2.503 -11.131 1.00 0.00 C ATOM 1151 C CYS A 75 8.275 1.698 -9.870 1.00 0.00 C ATOM 1152 O CYS A 75 7.848 2.067 -8.779 1.00 0.00 O ATOM 1153 CB CYS A 75 8.664 3.868 -11.066 1.00 0.00 C ATOM 1154 SG CYS A 75 10.470 3.776 -11.014 1.00 0.00 S ATOM 0 H CYS A 75 6.007 2.718 -10.419 1.00 0.00 H new ATOM 0 HA CYS A 75 8.351 1.956 -11.993 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.366 4.457 -11.933 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.312 4.401 -10.183 1.00 0.00 H new ATOM 0 HG CYS A 75 10.964 4.977 -10.963 1.00 0.00 H new ATOM 1160 N ASP A 76 9.007 0.593 -10.027 1.00 0.00 N ATOM 1161 CA ASP A 76 9.361 -0.269 -8.895 1.00 0.00 C ATOM 1162 C ASP A 76 9.894 0.549 -7.719 1.00 0.00 C ATOM 1163 O ASP A 76 10.958 1.164 -7.807 1.00 0.00 O ATOM 1164 CB ASP A 76 10.401 -1.314 -9.315 1.00 0.00 C ATOM 1165 CG ASP A 76 9.832 -2.373 -10.241 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.725 -2.881 -9.960 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.497 -2.697 -11.246 1.00 0.00 O ATOM 0 H ASP A 76 9.367 0.273 -10.926 1.00 0.00 H new ATOM 0 HA ASP A 76 8.453 -0.779 -8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.232 -0.813 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.805 -1.796 -8.425 1.00 0.00 H new ATOM 1172 N ALA A 77 9.141 0.549 -6.617 1.00 0.00 N ATOM 1173 CA ALA A 77 9.527 1.290 -5.417 1.00 0.00 C ATOM 1174 C ALA A 77 10.691 0.619 -4.683 1.00 0.00 C ATOM 1175 O ALA A 77 11.367 1.257 -3.877 1.00 0.00 O ATOM 1176 CB ALA A 77 8.338 1.439 -4.481 1.00 0.00 C ATOM 0 H ALA A 77 8.259 0.043 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 77 9.860 2.277 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.642 1.993 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.540 1.979 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.979 0.452 -4.189 1.00 0.00 H new ATOM 1182 N GLU A 78 10.919 -0.664 -4.965 1.00 0.00 N ATOM 1183 CA GLU A 78 12.000 -1.409 -4.328 1.00 0.00 C ATOM 1184 C GLU A 78 13.355 -0.979 -4.880 1.00 0.00 C ATOM 1185 O GLU A 78 14.377 -1.125 -4.210 1.00 0.00 O ATOM 1186 CB GLU A 78 11.801 -2.914 -4.521 1.00 0.00 C ATOM 1187 CG GLU A 78 10.405 -3.391 -4.149 1.00 0.00 C ATOM 1188 CD GLU A 78 10.413 -4.690 -3.366 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.052 -4.734 -2.292 1.00 0.00 O ATOM 1190 OE2 GLU A 78 9.774 -5.661 -3.821 1.00 0.00 O ATOM 0 H GLU A 78 10.369 -1.207 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 78 11.980 -1.189 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.999 -3.169 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.533 -3.450 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.909 -2.620 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.818 -3.524 -5.058 1.00 0.00 H new ATOM 1197 N VAL A 79 13.357 -0.439 -6.099 1.00 0.00 N ATOM 1198 CA VAL A 79 14.589 0.018 -6.727 1.00 0.00 C ATOM 1199 C VAL A 79 15.196 1.186 -5.947 1.00 0.00 C ATOM 1200 O VAL A 79 16.419 1.304 -5.846 1.00 0.00 O ATOM 1201 CB VAL A 79 14.360 0.446 -8.191 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.681 0.808 -8.854 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.650 -0.651 -8.973 1.00 0.00 C ATOM 0 H VAL A 79 12.520 -0.309 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 79 15.281 -0.824 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 79 13.721 1.329 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.500 1.107 -9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.146 1.632 -8.313 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.345 -0.056 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.500 -0.325 -10.002 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.258 -1.556 -8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.684 -0.858 -8.514 1.00 0.00 H new ATOM 1213 N VAL A 80 14.335 2.046 -5.398 1.00 0.00 N ATOM 1214 CA VAL A 80 14.792 3.203 -4.628 1.00 0.00 C ATOM 1215 C VAL A 80 14.808 2.912 -3.125 1.00 0.00 C ATOM 1216 O VAL A 80 15.695 3.383 -2.409 1.00 0.00 O ATOM 1217 CB VAL A 80 13.920 4.453 -4.890 1.00 0.00 C ATOM 1218 CG1 VAL A 80 14.150 4.973 -6.302 1.00 0.00 C ATOM 1219 CG2 VAL A 80 12.443 4.155 -4.656 1.00 0.00 C ATOM 0 H VAL A 80 13.321 1.963 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 80 15.809 3.406 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 80 14.217 5.227 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.529 5.853 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.200 5.240 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.886 4.199 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.856 5.053 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.121 3.360 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.295 3.839 -3.624 1.00 0.00 H new ATOM 1229 N GLY A 81 13.825 2.143 -2.649 1.00 0.00 N ATOM 1230 CA GLY A 81 13.756 1.821 -1.233 1.00 0.00 C ATOM 1231 C GLY A 81 13.069 0.493 -0.957 1.00 0.00 C ATOM 1232 O GLY A 81 13.702 -0.449 -0.479 1.00 0.00 O ATOM 0 H GLY A 81 13.080 1.740 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.766 1.793 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.222 2.615 -0.711 1.00 0.00 H new ATOM 1236 N GLY A 82 11.771 0.422 -1.253 1.00 0.00 N ATOM 1237 CA GLY A 82 11.016 -0.801 -1.022 1.00 0.00 C ATOM 1238 C GLY A 82 10.118 -0.712 0.197 1.00 0.00 C ATOM 1239 O GLY A 82 8.986 -1.195 0.175 1.00 0.00 O ATOM 0 H GLY A 82 11.229 1.190 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.409 -1.020 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.709 -1.633 -0.898 1.00 0.00 H new ATOM 1243 N MET A 83 10.628 -0.096 1.262 1.00 0.00 N ATOM 1244 CA MET A 83 9.870 0.059 2.502 1.00 0.00 C ATOM 1245 C MET A 83 10.238 1.362 3.221 1.00 0.00 C ATOM 1246 O MET A 83 10.086 1.469 4.439 1.00 0.00 O ATOM 1247 CB MET A 83 10.121 -1.142 3.425 1.00 0.00 C ATOM 1248 CG MET A 83 11.591 -1.512 3.561 1.00 0.00 C ATOM 1249 SD MET A 83 11.927 -2.511 5.023 1.00 0.00 S ATOM 1250 CE MET A 83 13.714 -2.408 5.092 1.00 0.00 C ATOM 0 H MET A 83 11.566 0.305 1.291 1.00 0.00 H new ATOM 0 HA MET A 83 8.811 0.103 2.247 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.718 -0.920 4.413 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.572 -2.003 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.907 -2.059 2.673 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.188 -0.601 3.604 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.079 -2.978 5.947 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.138 -2.818 4.175 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.015 -1.365 5.196 1.00 0.00 H new ATOM 1260 N ASP A 84 10.720 2.351 2.461 1.00 0.00 N ATOM 1261 CA ASP A 84 11.107 3.638 3.036 1.00 0.00 C ATOM 1262 C ASP A 84 10.888 4.788 2.048 1.00 0.00 C ATOM 1263 O ASP A 84 11.546 5.828 2.137 1.00 0.00 O ATOM 1264 CB ASP A 84 12.575 3.596 3.466 1.00 0.00 C ATOM 1265 CG ASP A 84 12.926 4.712 4.428 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.344 4.748 5.532 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.779 5.551 4.076 1.00 0.00 O ATOM 0 H ASP A 84 10.850 2.283 1.452 1.00 0.00 H new ATOM 0 HA ASP A 84 10.474 3.818 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.786 2.635 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.212 3.666 2.584 1.00 0.00 H new ATOM 1272 N TYR A 85 9.960 4.605 1.107 1.00 0.00 N ATOM 1273 CA TYR A 85 9.665 5.637 0.116 1.00 0.00 C ATOM 1274 C TYR A 85 8.722 6.693 0.692 1.00 0.00 C ATOM 1275 O TYR A 85 7.564 6.402 1.005 1.00 0.00 O ATOM 1276 CB TYR A 85 9.049 5.011 -1.136 1.00 0.00 C ATOM 1277 CG TYR A 85 8.914 5.982 -2.287 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.978 6.225 -3.146 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.721 6.655 -2.510 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.854 7.111 -4.198 1.00 0.00 C ATOM 1281 CE2 TYR A 85 7.590 7.543 -3.560 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.660 7.766 -4.400 1.00 0.00 C ATOM 1283 OH TYR A 85 8.535 8.645 -5.450 1.00 0.00 O ATOM 0 H TYR A 85 9.403 3.756 1.012 1.00 0.00 H new ATOM 0 HA TYR A 85 10.602 6.124 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.663 4.168 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.065 4.613 -0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.916 5.714 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.882 6.482 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.689 7.289 -4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.655 8.059 -3.722 1.00 0.00 H new ATOM 0 HH TYR A 85 7.631 9.023 -5.455 1.00 0.00 H new ATOM 1293 N VAL A 86 9.230 7.917 0.829 1.00 0.00 N ATOM 1294 CA VAL A 86 8.442 9.025 1.371 1.00 0.00 C ATOM 1295 C VAL A 86 7.252 9.357 0.473 1.00 0.00 C ATOM 1296 O VAL A 86 7.331 9.240 -0.753 1.00 0.00 O ATOM 1297 CB VAL A 86 9.297 10.299 1.559 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.310 10.114 2.679 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.991 10.685 0.258 1.00 0.00 C ATOM 0 H VAL A 86 10.185 8.167 0.572 1.00 0.00 H new ATOM 0 HA VAL A 86 8.079 8.694 2.344 1.00 0.00 H new ATOM 0 HB VAL A 86 8.629 11.113 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.899 11.024 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.787 9.903 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.971 9.282 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.586 11.584 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.641 9.871 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.242 10.876 -0.511 1.00 0.00 H new ATOM 1309 N LEU A 87 6.149 9.773 1.091 1.00 0.00 N ATOM 1310 CA LEU A 87 4.937 10.125 0.358 1.00 0.00 C ATOM 1311 C LEU A 87 4.923 11.608 -0.012 1.00 0.00 C ATOM 1312 O LEU A 87 5.735 12.393 0.481 1.00 0.00 O ATOM 1313 CB LEU A 87 3.697 9.791 1.191 1.00 0.00 C ATOM 1314 CG LEU A 87 2.491 9.276 0.398 1.00 0.00 C ATOM 1315 CD1 LEU A 87 2.237 7.812 0.712 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.253 10.106 0.707 1.00 0.00 C ATOM 0 H LEU A 87 6.071 9.875 2.103 1.00 0.00 H new ATOM 0 HA LEU A 87 4.924 9.541 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.970 9.040 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.396 10.685 1.738 1.00 0.00 H new ATOM 0 HG LEU A 87 2.713 9.371 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.377 7.461 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.115 7.225 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.036 7.698 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.407 9.725 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.029 10.042 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.435 11.146 0.436 1.00 0.00 H new ATOM 1328 N ASN A 88 3.985 11.979 -0.880 1.00 0.00 N ATOM 1329 CA ASN A 88 3.835 13.361 -1.326 1.00 0.00 C ATOM 1330 C ASN A 88 2.521 13.543 -2.085 1.00 0.00 C ATOM 1331 O ASN A 88 1.882 12.564 -2.474 1.00 0.00 O ATOM 1332 CB ASN A 88 5.014 13.769 -2.222 1.00 0.00 C ATOM 1333 CG ASN A 88 5.180 12.861 -3.432 1.00 0.00 C ATOM 1334 OD1 ASN A 88 4.340 12.005 -3.703 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.268 13.047 -4.170 1.00 0.00 N ATOM 0 H ASN A 88 3.311 11.334 -1.292 1.00 0.00 H new ATOM 0 HA ASN A 88 3.823 14.001 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.868 14.795 -2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.932 13.755 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.430 12.469 -4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.942 13.768 -3.912 1.00 0.00 H new ATOM 1342 N ASP A 89 2.127 14.799 -2.296 1.00 0.00 N ATOM 1343 CA ASP A 89 0.893 15.104 -3.018 1.00 0.00 C ATOM 1344 C ASP A 89 0.994 14.630 -4.465 1.00 0.00 C ATOM 1345 O ASP A 89 1.548 15.323 -5.322 1.00 0.00 O ATOM 1346 CB ASP A 89 0.592 16.606 -2.971 1.00 0.00 C ATOM 1347 CG ASP A 89 0.530 17.151 -1.556 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -0.062 16.479 -0.682 1.00 0.00 O ATOM 1349 OD2 ASP A 89 1.072 18.251 -1.320 1.00 0.00 O ATOM 0 H ASP A 89 2.643 15.619 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 89 0.073 14.575 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.359 17.143 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.358 16.797 -3.471 1.00 0.00 H new ATOM 1354 N GLY A 90 0.467 13.435 -4.720 1.00 0.00 N ATOM 1355 CA GLY A 90 0.507 12.858 -6.051 1.00 0.00 C ATOM 1356 C GLY A 90 1.278 11.545 -6.095 1.00 0.00 C ATOM 1357 O GLY A 90 1.783 11.156 -7.152 1.00 0.00 O ATOM 0 H GLY A 90 0.009 12.852 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.511 12.689 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.967 13.569 -6.738 1.00 0.00 H new ATOM 1361 N ASP A 91 1.366 10.858 -4.950 1.00 0.00 N ATOM 1362 CA ASP A 91 2.076 9.584 -4.866 1.00 0.00 C ATOM 1363 C ASP A 91 1.156 8.420 -5.219 1.00 0.00 C ATOM 1364 O ASP A 91 -0.068 8.537 -5.137 1.00 0.00 O ATOM 1365 CB ASP A 91 2.656 9.386 -3.460 1.00 0.00 C ATOM 1366 CG ASP A 91 4.059 8.804 -3.477 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.806 9.072 -4.443 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.409 8.080 -2.520 1.00 0.00 O ATOM 0 H ASP A 91 0.953 11.166 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 91 2.893 9.607 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.672 10.344 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.001 8.726 -2.892 1.00 0.00 H new ATOM 1373 N THR A 92 1.754 7.296 -5.611 1.00 0.00 N ATOM 1374 CA THR A 92 0.993 6.105 -5.980 1.00 0.00 C ATOM 1375 C THR A 92 1.641 4.839 -5.423 1.00 0.00 C ATOM 1376 O THR A 92 2.861 4.678 -5.486 1.00 0.00 O ATOM 1377 CB THR A 92 0.875 6.003 -7.504 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.310 7.186 -8.048 1.00 0.00 O ATOM 1379 CG2 THR A 92 0.029 4.835 -7.965 1.00 0.00 C ATOM 0 H THR A 92 2.766 7.186 -5.681 1.00 0.00 H new ATOM 0 HA THR A 92 -0.003 6.197 -5.547 1.00 0.00 H new ATOM 0 HB THR A 92 1.894 5.854 -7.860 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.245 7.100 -9.022 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.012 4.823 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.469 3.904 -7.608 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.980 4.936 -7.565 1.00 0.00 H new ATOM 1387 N VAL A 93 0.814 3.940 -4.887 1.00 0.00 N ATOM 1388 CA VAL A 93 1.298 2.680 -4.328 1.00 0.00 C ATOM 1389 C VAL A 93 0.311 1.548 -4.618 1.00 0.00 C ATOM 1390 O VAL A 93 -0.856 1.611 -4.221 1.00 0.00 O ATOM 1391 CB VAL A 93 1.539 2.783 -2.802 1.00 0.00 C ATOM 1392 CG1 VAL A 93 0.311 3.335 -2.087 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.939 1.429 -2.225 1.00 0.00 C ATOM 0 H VAL A 93 -0.197 4.063 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 93 2.252 2.461 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 93 2.361 3.480 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.510 3.396 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.083 4.329 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.539 2.675 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.103 1.525 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.143 0.707 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.857 1.086 -2.703 1.00 0.00 H new ATOM 1403 N GLU A 94 0.782 0.521 -5.323 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.061 -0.619 -5.678 1.00 0.00 C ATOM 1405 C GLU A 94 0.555 -1.937 -5.215 1.00 0.00 C ATOM 1406 O GLU A 94 1.778 -2.087 -5.185 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.287 -0.665 -7.192 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.657 0.680 -7.799 1.00 0.00 C ATOM 1409 CD GLU A 94 0.239 1.059 -8.962 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.027 0.595 -10.091 1.00 0.00 O ATOM 1411 OE2 GLU A 94 1.205 1.821 -8.746 1.00 0.00 O ATOM 0 H GLU A 94 1.743 0.455 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.017 -0.489 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.618 -1.034 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.079 -1.382 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.693 0.650 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.595 1.451 -7.031 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.306 -2.891 -4.870 1.00 0.00 N ATOM 1419 CA PHE A 95 0.132 -4.210 -4.424 1.00 0.00 C ATOM 1420 C PHE A 95 -0.389 -5.285 -5.371 1.00 0.00 C ATOM 1421 O PHE A 95 -1.573 -5.624 -5.345 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.365 -4.484 -3.000 1.00 0.00 C ATOM 1423 CG PHE A 95 0.161 -3.514 -1.980 1.00 0.00 C ATOM 1424 CD1 PHE A 95 1.486 -3.558 -1.581 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -0.674 -2.559 -1.421 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.970 -2.666 -0.642 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -0.193 -1.666 -0.482 1.00 0.00 C ATOM 1428 CZ PHE A 95 1.129 -1.719 -0.092 1.00 0.00 C ATOM 0 H PHE A 95 -1.319 -2.773 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 95 1.222 -4.232 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.454 -4.451 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.075 -5.494 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.148 -4.297 -2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.710 -2.512 -1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.006 -2.710 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.853 -0.926 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.505 -1.022 0.642 1.00 0.00 H new ATOM 1438 N ILE A 96 0.500 -5.808 -6.213 1.00 0.00 N ATOM 1439 CA ILE A 96 0.127 -6.839 -7.177 1.00 0.00 C ATOM 1440 C ILE A 96 0.864 -8.145 -6.902 1.00 0.00 C ATOM 1441 O ILE A 96 2.082 -8.226 -7.065 1.00 0.00 O ATOM 1442 CB ILE A 96 0.425 -6.396 -8.628 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -0.121 -4.989 -8.889 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.166 -7.392 -9.618 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.228 -4.447 -10.259 1.00 0.00 C ATOM 0 H ILE A 96 1.482 -5.535 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.946 -6.996 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 96 1.506 -6.371 -8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.205 -5.003 -8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.268 -4.311 -8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.052 -7.067 -10.635 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.272 -8.376 -9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.246 -7.447 -9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.192 -3.447 -10.373 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.312 -4.400 -10.366 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.185 -5.103 -11.026 1.00 0.00 H new ATOM 1457 N SER A 97 0.114 -9.169 -6.495 1.00 0.00 N ATOM 1458 CA SER A 97 0.695 -10.476 -6.210 1.00 0.00 C ATOM 1459 C SER A 97 0.964 -11.231 -7.513 1.00 0.00 C ATOM 1460 O SER A 97 0.122 -11.998 -7.985 1.00 0.00 O ATOM 1461 CB SER A 97 -0.239 -11.286 -5.306 1.00 0.00 C ATOM 1462 OG SER A 97 0.201 -12.628 -5.178 1.00 0.00 O ATOM 0 H SER A 97 -0.895 -9.117 -6.356 1.00 0.00 H new ATOM 0 HA SER A 97 1.642 -10.332 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.287 -10.822 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.249 -11.270 -5.716 1.00 0.00 H new ATOM 0 HG SER A 97 -0.414 -13.120 -4.594 1.00 0.00 H new ATOM 1468 N THR A 98 2.140 -10.993 -8.091 1.00 0.00 N ATOM 1469 CA THR A 98 2.533 -11.633 -9.346 1.00 0.00 C ATOM 1470 C THR A 98 2.645 -13.149 -9.187 1.00 0.00 C ATOM 1471 O THR A 98 1.831 -13.898 -9.729 1.00 0.00 O ATOM 1472 CB THR A 98 3.861 -11.046 -9.842 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.813 -10.998 -8.791 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.721 -9.646 -10.399 1.00 0.00 C ATOM 0 H THR A 98 2.841 -10.358 -7.708 1.00 0.00 H new ATOM 0 HA THR A 98 1.757 -11.434 -10.086 1.00 0.00 H new ATOM 0 HB THR A 98 4.191 -11.709 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.653 -10.622 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.695 -9.288 -10.733 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.030 -9.657 -11.242 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.337 -8.983 -9.624 1.00 0.00 H new ATOM 1482 N LEU A 99 3.655 -13.596 -8.440 1.00 0.00 N ATOM 1483 CA LEU A 99 3.867 -15.022 -8.207 1.00 0.00 C ATOM 1484 C LEU A 99 3.578 -15.377 -6.749 1.00 0.00 C ATOM 1485 O LEU A 99 3.431 -14.493 -5.904 1.00 0.00 O ATOM 1486 CB LEU A 99 5.306 -15.413 -8.573 1.00 0.00 C ATOM 1487 CG LEU A 99 5.458 -16.768 -9.274 1.00 0.00 C ATOM 1488 CD1 LEU A 99 5.325 -16.613 -10.782 1.00 0.00 C ATOM 1489 CD2 LEU A 99 6.794 -17.405 -8.919 1.00 0.00 C ATOM 0 H LEU A 99 4.338 -12.990 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 99 3.179 -15.581 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.722 -14.640 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.905 -15.424 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 99 4.659 -17.423 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.436 -17.587 -11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.344 -16.202 -11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.099 -15.939 -11.148 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.885 -18.366 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.605 -16.750 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.850 -17.556 -7.841 1.00 0.00 H new ATOM 1501 N HIS A 100 3.494 -16.675 -6.463 1.00 0.00 N ATOM 1502 CA HIS A 100 3.219 -17.144 -5.108 1.00 0.00 C ATOM 1503 C HIS A 100 4.276 -18.152 -4.658 1.00 0.00 C ATOM 1504 O HIS A 100 4.031 -19.359 -4.634 1.00 0.00 O ATOM 1505 CB HIS A 100 1.822 -17.768 -5.036 1.00 0.00 C ATOM 1506 CG HIS A 100 1.227 -17.764 -3.660 1.00 0.00 C ATOM 1507 ND1 HIS A 100 -0.112 -17.986 -3.422 1.00 0.00 N ATOM 1508 CD2 HIS A 100 1.796 -17.563 -2.446 1.00 0.00 C ATOM 1509 CE1 HIS A 100 -0.342 -17.923 -2.123 1.00 0.00 C ATOM 1510 NE2 HIS A 100 0.798 -17.669 -1.508 1.00 0.00 N ATOM 0 H HIS A 100 3.612 -17.419 -7.151 1.00 0.00 H new ATOM 0 HA HIS A 100 3.256 -16.288 -4.434 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.158 -17.227 -5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 100 1.874 -18.796 -5.396 1.00 0.00 H new ATOM 0 HD2 HIS A 100 2.839 -17.358 -2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -1.301 -18.057 -1.645 1.00 0.00 H new ATOM 0 HE2 HIS A 100 0.918 -17.568 -0.500 1.00 0.00 H new ATOM 1519 N GLY A 101 5.453 -17.639 -4.305 1.00 0.00 N ATOM 1520 CA GLY A 101 6.540 -18.496 -3.859 1.00 0.00 C ATOM 1521 C GLY A 101 7.801 -18.292 -4.676 1.00 0.00 C ATOM 1522 O GLY A 101 8.455 -17.252 -4.565 1.00 0.00 O ATOM 0 H GLY A 101 5.674 -16.643 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.752 -18.294 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.230 -19.539 -3.927 1.00 0.00 H new ATOM 1526 N GLY A 102 8.143 -19.286 -5.494 1.00 0.00 N ATOM 1527 CA GLY A 102 9.334 -19.199 -6.324 1.00 0.00 C ATOM 1528 C GLY A 102 10.146 -20.485 -6.326 1.00 0.00 C ATOM 1529 O GLY A 102 9.666 -21.501 -5.777 1.00 0.00 O ATOM 0 H GLY A 102 7.615 -20.152 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.042 -18.957 -7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.960 -18.380 -5.969 1.00 0.00 H new TER 1533 GLY A 102