USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 688 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 THR OG1 : rot 180:sc= -0.644 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -174:sc= 1.28 (180deg=0.699) USER MOD Set 2.2: A 62 THR OG1 : rot -43:sc= 0.932 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -0.0777 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= -0.793 USER MOD Set 4.1: A 10 THR OG1 : rot 101:sc= 0.786 USER MOD Set 4.2: A 49 GLN : amide:sc= 0 K(o=1.5,f=0.29) USER MOD Set 4.3: A 80 HIS : no HD1:sc= 0.691 K(o=1.5,f=-1.5) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.177 (180deg=-0.631) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0515 (180deg=-0.00611) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -112:sc= -3.53! USER MOD Single : A 12 ASN : amide:sc= -1.33 K(o=-1.3,f=-11!) USER MOD Single : A 18 MET CE :methyl -152:sc= 0 (180deg=-0.00767) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc=-0.00784 (180deg=-0.0887) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 26 MET CE :methyl 170:sc= -1.09 (180deg=-1.38) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00011 USER MOD Single : A 29 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.995 (180deg=0.867) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.969) USER MOD Single : A 41 THR OG1 : rot -104:sc= 1.22 USER MOD Single : A 46 MET CE :methyl 155:sc= -1.74 (180deg=-4.66!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.128 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot -122:sc= 1.26 USER MOD Single : A 85 THR OG1 : rot -116:sc= -1.81 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.057 6.523 -4.017 1.00 0.00 N ATOM 2 CA MET A 1 -17.480 5.340 -4.777 1.00 0.00 C ATOM 3 C MET A 1 -17.047 4.094 -4.058 1.00 0.00 C ATOM 4 O MET A 1 -16.048 4.103 -3.333 1.00 0.00 O ATOM 5 CB MET A 1 -16.867 5.332 -6.192 1.00 0.00 C ATOM 6 CG MET A 1 -17.323 6.456 -7.103 1.00 0.00 C ATOM 7 SD MET A 1 -16.566 6.374 -8.751 1.00 0.00 S ATOM 8 CE MET A 1 -17.172 4.786 -9.340 1.00 0.00 C ATOM 0 H1 MET A 1 -17.893 7.083 -3.752 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.555 6.222 -3.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.423 7.103 -4.602 1.00 0.00 H new ATOM 0 HA MET A 1 -18.566 5.372 -4.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.782 5.379 -6.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.106 4.381 -6.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.408 6.419 -7.204 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.078 7.413 -6.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.101 4.750 -10.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.571 3.985 -8.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.212 4.660 -9.040 1.00 0.00 H new ATOM 18 N THR A 2 -17.788 3.032 -4.235 1.00 0.00 N ATOM 19 CA THR A 2 -17.436 1.774 -3.667 1.00 0.00 C ATOM 20 C THR A 2 -16.650 0.973 -4.706 1.00 0.00 C ATOM 21 O THR A 2 -17.187 0.581 -5.750 1.00 0.00 O ATOM 22 CB THR A 2 -18.694 0.980 -3.255 1.00 0.00 C ATOM 23 OG1 THR A 2 -19.519 1.790 -2.382 1.00 0.00 O ATOM 24 CG2 THR A 2 -18.303 -0.302 -2.524 1.00 0.00 C ATOM 0 H THR A 2 -18.651 3.023 -4.778 1.00 0.00 H new ATOM 0 HA THR A 2 -16.833 1.944 -2.775 1.00 0.00 H new ATOM 0 HB THR A 2 -19.249 0.721 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 2 -20.317 1.284 -2.124 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.203 -0.849 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.692 -0.923 -3.180 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.734 -0.051 -1.628 1.00 0.00 H new ATOM 32 N GLU A 3 -15.404 0.759 -4.428 1.00 0.00 N ATOM 33 CA GLU A 3 -14.538 0.023 -5.275 1.00 0.00 C ATOM 34 C GLU A 3 -13.742 -0.902 -4.411 1.00 0.00 C ATOM 35 O GLU A 3 -13.393 -0.543 -3.303 1.00 0.00 O ATOM 36 CB GLU A 3 -13.637 0.968 -6.037 1.00 0.00 C ATOM 37 CG GLU A 3 -12.756 0.263 -7.031 1.00 0.00 C ATOM 38 CD GLU A 3 -13.522 -0.646 -7.961 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.974 -0.188 -9.025 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.678 -1.835 -7.646 1.00 0.00 O ATOM 0 H GLU A 3 -14.954 1.104 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.103 -0.552 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.249 1.704 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.013 1.516 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.217 1.005 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.009 -0.322 -6.495 1.00 0.00 H new ATOM 47 N VAL A 4 -13.462 -2.069 -4.891 1.00 0.00 N ATOM 48 CA VAL A 4 -12.804 -3.080 -4.102 1.00 0.00 C ATOM 49 C VAL A 4 -11.661 -3.726 -4.859 1.00 0.00 C ATOM 50 O VAL A 4 -11.760 -3.999 -6.059 1.00 0.00 O ATOM 51 CB VAL A 4 -13.794 -4.172 -3.574 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.780 -3.581 -2.570 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.556 -4.828 -4.726 1.00 0.00 C ATOM 0 H VAL A 4 -13.681 -2.358 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.395 -2.563 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.199 -4.934 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.455 -4.362 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.233 -3.168 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.357 -2.790 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.236 -5.582 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.127 -4.070 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.849 -5.300 -5.408 1.00 0.00 H new ATOM 63 N TYR A 5 -10.584 -3.916 -4.163 1.00 0.00 N ATOM 64 CA TYR A 5 -9.384 -4.553 -4.697 1.00 0.00 C ATOM 65 C TYR A 5 -8.969 -5.759 -3.831 1.00 0.00 C ATOM 66 O TYR A 5 -9.162 -5.749 -2.605 1.00 0.00 O ATOM 67 CB TYR A 5 -8.224 -3.518 -4.788 1.00 0.00 C ATOM 68 CG TYR A 5 -7.850 -2.881 -3.464 1.00 0.00 C ATOM 69 CD1 TYR A 5 -7.239 -3.622 -2.495 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.117 -1.558 -3.185 1.00 0.00 C ATOM 71 CE1 TYR A 5 -6.907 -3.100 -1.296 1.00 0.00 C ATOM 72 CE2 TYR A 5 -7.772 -1.019 -1.961 1.00 0.00 C ATOM 73 CZ TYR A 5 -7.168 -1.814 -1.026 1.00 0.00 C ATOM 74 OH TYR A 5 -6.841 -1.317 0.197 1.00 0.00 O ATOM 0 H TYR A 5 -10.496 -3.633 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.605 -4.920 -5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.344 -4.011 -5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.508 -2.732 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.014 -4.659 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.599 -0.939 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.430 -3.720 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.977 0.019 -1.744 1.00 0.00 H new ATOM 0 HH TYR A 5 -7.659 -1.106 0.694 1.00 0.00 H new ATOM 84 N ASP A 6 -8.497 -6.805 -4.458 1.00 0.00 N ATOM 85 CA ASP A 6 -7.877 -7.910 -3.715 1.00 0.00 C ATOM 86 C ASP A 6 -6.371 -7.718 -3.667 1.00 0.00 C ATOM 87 O ASP A 6 -5.733 -7.443 -4.701 1.00 0.00 O ATOM 88 CB ASP A 6 -8.182 -9.283 -4.314 1.00 0.00 C ATOM 89 CG ASP A 6 -9.609 -9.761 -4.135 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.887 -10.451 -3.118 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.453 -9.514 -5.014 1.00 0.00 O ATOM 0 H ASP A 6 -8.522 -6.930 -5.470 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.305 -7.888 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.956 -9.255 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.511 -10.015 -3.865 1.00 0.00 H new ATOM 96 N LEU A 7 -5.812 -7.853 -2.485 1.00 0.00 N ATOM 97 CA LEU A 7 -4.389 -7.697 -2.248 1.00 0.00 C ATOM 98 C LEU A 7 -3.798 -8.898 -1.583 1.00 0.00 C ATOM 99 O LEU A 7 -4.506 -9.683 -0.938 1.00 0.00 O ATOM 100 CB LEU A 7 -4.093 -6.544 -1.313 1.00 0.00 C ATOM 101 CG LEU A 7 -4.356 -5.143 -1.762 1.00 0.00 C ATOM 102 CD1 LEU A 7 -3.913 -4.184 -0.670 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.652 -4.836 -3.068 1.00 0.00 C ATOM 0 H LEU A 7 -6.342 -8.079 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.961 -7.533 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.668 -6.708 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.039 -6.607 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.424 -5.024 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.101 -3.159 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.472 -4.389 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.848 -4.316 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.866 -3.809 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.577 -4.960 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.006 -5.518 -3.841 1.00 0.00 H new ATOM 115 N GLU A 8 -2.514 -9.044 -1.754 1.00 0.00 N ATOM 116 CA GLU A 8 -1.732 -9.980 -0.999 1.00 0.00 C ATOM 117 C GLU A 8 -0.852 -9.152 -0.085 1.00 0.00 C ATOM 118 O GLU A 8 -0.016 -8.374 -0.542 1.00 0.00 O ATOM 119 CB GLU A 8 -0.894 -10.856 -1.913 1.00 0.00 C ATOM 120 CG GLU A 8 -0.030 -11.873 -1.182 1.00 0.00 C ATOM 121 CD GLU A 8 0.740 -12.754 -2.126 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.851 -12.383 -2.540 1.00 0.00 O ATOM 123 OE2 GLU A 8 0.234 -13.839 -2.487 1.00 0.00 O ATOM 0 H GLU A 8 -1.974 -8.507 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.370 -10.655 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.556 -11.385 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.251 -10.218 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.667 -11.350 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.662 -12.492 -0.545 1.00 0.00 H new ATOM 130 N ILE A 9 -1.083 -9.278 1.178 1.00 0.00 N ATOM 131 CA ILE A 9 -0.396 -8.476 2.163 1.00 0.00 C ATOM 132 C ILE A 9 0.722 -9.281 2.792 1.00 0.00 C ATOM 133 O ILE A 9 0.535 -10.460 3.145 1.00 0.00 O ATOM 134 CB ILE A 9 -1.349 -7.944 3.316 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.550 -7.101 2.799 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.569 -7.135 4.351 1.00 0.00 C ATOM 137 CD1 ILE A 9 -3.636 -7.881 2.075 1.00 0.00 C ATOM 0 H ILE A 9 -1.754 -9.939 1.569 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.006 -7.608 1.632 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.761 -8.840 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.001 -6.586 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.169 -6.333 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.249 -6.785 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.200 -7.763 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.101 -6.279 3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.424 -7.198 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.209 -8.374 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.054 -8.631 2.746 1.00 0.00 H new ATOM 149 N THR A 10 1.863 -8.662 2.908 1.00 0.00 N ATOM 150 CA THR A 10 3.007 -9.248 3.543 1.00 0.00 C ATOM 151 C THR A 10 3.626 -8.271 4.510 1.00 0.00 C ATOM 152 O THR A 10 3.342 -7.068 4.486 1.00 0.00 O ATOM 153 CB THR A 10 4.083 -9.683 2.529 1.00 0.00 C ATOM 154 OG1 THR A 10 4.420 -8.592 1.657 1.00 0.00 O ATOM 155 CG2 THR A 10 3.642 -10.878 1.728 1.00 0.00 C ATOM 0 H THR A 10 2.026 -7.718 2.557 1.00 0.00 H new ATOM 0 HA THR A 10 2.651 -10.134 4.069 1.00 0.00 H new ATOM 0 HB THR A 10 4.970 -9.973 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.259 -8.183 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.427 -11.154 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.446 -11.714 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.733 -10.633 1.179 1.00 0.00 H new ATOM 163 N THR A 11 4.440 -8.774 5.359 1.00 0.00 N ATOM 164 CA THR A 11 5.163 -8.007 6.300 1.00 0.00 C ATOM 165 C THR A 11 6.389 -8.828 6.580 1.00 0.00 C ATOM 166 O THR A 11 6.449 -9.987 6.192 1.00 0.00 O ATOM 167 CB THR A 11 4.381 -7.817 7.628 1.00 0.00 C ATOM 168 OG1 THR A 11 3.009 -7.512 7.352 1.00 0.00 O ATOM 169 CG2 THR A 11 4.955 -6.659 8.457 1.00 0.00 C ATOM 0 H THR A 11 4.629 -9.774 5.420 1.00 0.00 H new ATOM 0 HA THR A 11 5.368 -7.009 5.912 1.00 0.00 H new ATOM 0 HB THR A 11 4.470 -8.748 8.188 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.524 -7.395 8.195 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.384 -6.554 9.380 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.998 -6.865 8.697 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.891 -5.734 7.884 1.00 0.00 H new ATOM 177 N ASN A 12 7.331 -8.259 7.203 1.00 0.00 N ATOM 178 CA ASN A 12 8.529 -8.955 7.560 1.00 0.00 C ATOM 179 C ASN A 12 8.366 -9.578 8.936 1.00 0.00 C ATOM 180 O ASN A 12 9.132 -10.442 9.345 1.00 0.00 O ATOM 181 CB ASN A 12 9.740 -8.029 7.515 1.00 0.00 C ATOM 182 CG ASN A 12 9.707 -6.878 8.517 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.639 -6.360 8.883 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.867 -6.474 8.961 1.00 0.00 N ATOM 0 H ASN A 12 7.311 -7.281 7.493 1.00 0.00 H new ATOM 0 HA ASN A 12 8.704 -9.748 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.638 -8.621 7.693 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.825 -7.615 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.917 -5.708 9.632 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.722 -6.925 8.637 1.00 0.00 H new ATOM 191 N ALA A 13 7.352 -9.119 9.652 1.00 0.00 N ATOM 192 CA ALA A 13 7.013 -9.647 10.952 1.00 0.00 C ATOM 193 C ALA A 13 6.143 -10.889 10.799 1.00 0.00 C ATOM 194 O ALA A 13 5.972 -11.668 11.737 1.00 0.00 O ATOM 195 CB ALA A 13 6.296 -8.591 11.776 1.00 0.00 C ATOM 0 H ALA A 13 6.741 -8.364 9.340 1.00 0.00 H new ATOM 0 HA ALA A 13 7.929 -9.926 11.472 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.045 -9.001 12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.945 -7.724 11.901 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.382 -8.289 11.264 1.00 0.00 H new ATOM 201 N THR A 14 5.599 -11.054 9.619 1.00 0.00 N ATOM 202 CA THR A 14 4.779 -12.179 9.290 1.00 0.00 C ATOM 203 C THR A 14 5.494 -13.021 8.248 1.00 0.00 C ATOM 204 O THR A 14 6.405 -12.534 7.570 1.00 0.00 O ATOM 205 CB THR A 14 3.399 -11.720 8.756 1.00 0.00 C ATOM 206 OG1 THR A 14 3.577 -10.776 7.688 1.00 0.00 O ATOM 207 CG2 THR A 14 2.564 -11.087 9.860 1.00 0.00 C ATOM 0 H THR A 14 5.720 -10.394 8.850 1.00 0.00 H new ATOM 0 HA THR A 14 4.607 -12.772 10.188 1.00 0.00 H new ATOM 0 HB THR A 14 2.871 -12.599 8.386 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.701 -10.491 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.601 -10.775 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.404 -11.813 10.657 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.088 -10.219 10.260 1.00 0.00 H new ATOM 215 N ASP A 15 5.146 -14.266 8.151 1.00 0.00 N ATOM 216 CA ASP A 15 5.758 -15.144 7.164 1.00 0.00 C ATOM 217 C ASP A 15 4.714 -15.640 6.180 1.00 0.00 C ATOM 218 O ASP A 15 5.032 -16.090 5.078 1.00 0.00 O ATOM 219 CB ASP A 15 6.473 -16.312 7.854 1.00 0.00 C ATOM 220 CG ASP A 15 7.120 -17.282 6.881 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.179 -16.953 6.298 1.00 0.00 O ATOM 222 OD2 ASP A 15 6.598 -18.400 6.714 1.00 0.00 O ATOM 0 H ASP A 15 4.441 -14.712 8.738 1.00 0.00 H new ATOM 0 HA ASP A 15 6.505 -14.579 6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.237 -15.916 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.757 -16.853 8.472 1.00 0.00 H new ATOM 227 N PHE A 16 3.468 -15.527 6.570 1.00 0.00 N ATOM 228 CA PHE A 16 2.372 -15.969 5.754 1.00 0.00 C ATOM 229 C PHE A 16 1.706 -14.782 5.048 1.00 0.00 C ATOM 230 O PHE A 16 1.137 -13.904 5.700 1.00 0.00 O ATOM 231 CB PHE A 16 1.347 -16.716 6.621 1.00 0.00 C ATOM 232 CG PHE A 16 0.145 -17.230 5.879 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.212 -18.405 5.154 1.00 0.00 C ATOM 234 CD2 PHE A 16 -1.058 -16.541 5.921 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.895 -18.884 4.481 1.00 0.00 C ATOM 236 CE2 PHE A 16 -2.164 -17.013 5.250 1.00 0.00 C ATOM 237 CZ PHE A 16 -2.083 -18.186 4.528 1.00 0.00 C ATOM 0 H PHE A 16 3.188 -15.125 7.465 1.00 0.00 H new ATOM 0 HA PHE A 16 2.756 -16.646 4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.845 -17.557 7.103 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.009 -16.049 7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.141 -18.955 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.128 -15.624 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.830 -19.804 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.094 -16.465 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.949 -18.557 4.000 1.00 0.00 H new ATOM 247 N PRO A 17 1.810 -14.720 3.716 1.00 0.00 N ATOM 248 CA PRO A 17 1.116 -13.713 2.917 1.00 0.00 C ATOM 249 C PRO A 17 -0.395 -13.962 2.946 1.00 0.00 C ATOM 250 O PRO A 17 -0.869 -15.078 2.648 1.00 0.00 O ATOM 251 CB PRO A 17 1.650 -13.925 1.495 1.00 0.00 C ATOM 252 CG PRO A 17 2.851 -14.799 1.646 1.00 0.00 C ATOM 253 CD PRO A 17 2.630 -15.603 2.893 1.00 0.00 C ATOM 0 HA PRO A 17 1.283 -12.701 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.899 -14.396 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.912 -12.975 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.970 -15.450 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.760 -14.202 1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.122 -16.544 2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.571 -15.853 3.384 1.00 0.00 H new ATOM 261 N MET A 18 -1.134 -12.945 3.267 1.00 0.00 N ATOM 262 CA MET A 18 -2.570 -13.058 3.441 1.00 0.00 C ATOM 263 C MET A 18 -3.280 -12.287 2.357 1.00 0.00 C ATOM 264 O MET A 18 -2.824 -11.214 1.965 1.00 0.00 O ATOM 265 CB MET A 18 -2.970 -12.515 4.826 1.00 0.00 C ATOM 266 CG MET A 18 -4.470 -12.517 5.100 1.00 0.00 C ATOM 267 SD MET A 18 -5.201 -14.165 5.042 1.00 0.00 S ATOM 268 CE MET A 18 -6.927 -13.758 5.320 1.00 0.00 C ATOM 0 H MET A 18 -0.768 -12.005 3.419 1.00 0.00 H new ATOM 0 HA MET A 18 -2.859 -14.107 3.374 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.473 -13.110 5.592 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.598 -11.495 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.654 -12.079 6.081 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.967 -11.880 4.368 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.427 -14.601 5.797 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.995 -12.883 5.966 1.00 0.00 H new ATOM 0 HE3 MET A 18 -7.408 -13.543 4.366 1.00 0.00 H new ATOM 278 N GLU A 19 -4.374 -12.821 1.861 1.00 0.00 N ATOM 279 CA GLU A 19 -5.121 -12.134 0.850 1.00 0.00 C ATOM 280 C GLU A 19 -6.441 -11.649 1.409 1.00 0.00 C ATOM 281 O GLU A 19 -7.153 -12.394 2.091 1.00 0.00 O ATOM 282 CB GLU A 19 -5.330 -12.981 -0.434 1.00 0.00 C ATOM 283 CG GLU A 19 -6.191 -14.250 -0.311 1.00 0.00 C ATOM 284 CD GLU A 19 -5.614 -15.301 0.595 1.00 0.00 C ATOM 285 OE1 GLU A 19 -4.650 -15.970 0.199 1.00 0.00 O ATOM 286 OE2 GLU A 19 -6.116 -15.477 1.714 1.00 0.00 O ATOM 0 H GLU A 19 -4.758 -13.723 2.143 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.527 -11.272 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.781 -12.340 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.349 -13.274 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.178 -13.971 0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.330 -14.679 -1.303 1.00 0.00 H new ATOM 293 N LYS A 20 -6.752 -10.409 1.158 1.00 0.00 N ATOM 294 CA LYS A 20 -7.986 -9.831 1.605 1.00 0.00 C ATOM 295 C LYS A 20 -8.390 -8.699 0.685 1.00 0.00 C ATOM 296 O LYS A 20 -7.525 -8.058 0.065 1.00 0.00 O ATOM 297 CB LYS A 20 -7.891 -9.385 3.068 1.00 0.00 C ATOM 298 CG LYS A 20 -9.192 -8.836 3.624 1.00 0.00 C ATOM 299 CD LYS A 20 -9.101 -8.642 5.105 1.00 0.00 C ATOM 300 CE LYS A 20 -10.334 -7.942 5.661 1.00 0.00 C ATOM 301 NZ LYS A 20 -11.590 -8.677 5.362 1.00 0.00 N ATOM 0 H LYS A 20 -6.154 -9.769 0.636 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.768 -10.589 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.575 -10.232 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.118 -8.622 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.426 -7.886 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.008 -9.520 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.982 -9.610 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.213 -8.056 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.229 -7.832 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.397 -6.937 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.386 -8.215 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.759 -8.672 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.505 -9.659 5.694 1.00 0.00 H new ATOM 315 N LYS A 21 -9.675 -8.489 0.568 1.00 0.00 N ATOM 316 CA LYS A 21 -10.227 -7.470 -0.276 1.00 0.00 C ATOM 317 C LYS A 21 -10.538 -6.226 0.549 1.00 0.00 C ATOM 318 O LYS A 21 -11.085 -6.325 1.650 1.00 0.00 O ATOM 319 CB LYS A 21 -11.493 -8.013 -0.947 1.00 0.00 C ATOM 320 CG LYS A 21 -12.194 -7.045 -1.887 1.00 0.00 C ATOM 321 CD LYS A 21 -13.428 -7.680 -2.520 1.00 0.00 C ATOM 322 CE LYS A 21 -13.065 -8.893 -3.364 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.246 -9.499 -4.000 1.00 0.00 N ATOM 0 H LYS A 21 -10.378 -9.034 1.068 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.508 -7.192 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.232 -8.912 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.196 -8.314 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.485 -6.149 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.503 -6.730 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.127 -7.977 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.938 -6.944 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.351 -8.598 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.570 -9.635 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.952 -10.321 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.917 -9.804 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.704 -8.800 -4.619 1.00 0.00 H new ATOM 337 N TYR A 22 -10.171 -5.074 0.032 1.00 0.00 N ATOM 338 CA TYR A 22 -10.418 -3.799 0.698 1.00 0.00 C ATOM 339 C TYR A 22 -10.943 -2.772 -0.313 1.00 0.00 C ATOM 340 O TYR A 22 -10.804 -2.977 -1.522 1.00 0.00 O ATOM 341 CB TYR A 22 -9.141 -3.252 1.355 1.00 0.00 C ATOM 342 CG TYR A 22 -8.564 -4.081 2.472 1.00 0.00 C ATOM 343 CD1 TYR A 22 -9.105 -4.019 3.744 1.00 0.00 C ATOM 344 CD2 TYR A 22 -7.461 -4.900 2.263 1.00 0.00 C ATOM 345 CE1 TYR A 22 -8.568 -4.745 4.778 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.921 -5.635 3.295 1.00 0.00 C ATOM 347 CZ TYR A 22 -7.479 -5.551 4.551 1.00 0.00 C ATOM 348 OH TYR A 22 -6.943 -6.269 5.591 1.00 0.00 O ATOM 0 H TYR A 22 -9.691 -4.987 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.162 -3.971 1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.380 -3.138 0.583 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.354 -2.255 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.963 -3.389 3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.021 -4.961 1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.000 -4.683 5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.067 -6.272 3.120 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.179 -6.791 5.269 1.00 0.00 H new ATOM 358 N PRO A 23 -11.565 -1.661 0.154 1.00 0.00 N ATOM 359 CA PRO A 23 -12.061 -0.614 -0.733 1.00 0.00 C ATOM 360 C PRO A 23 -10.944 0.292 -1.258 1.00 0.00 C ATOM 361 O PRO A 23 -10.054 0.705 -0.505 1.00 0.00 O ATOM 362 CB PRO A 23 -13.021 0.209 0.141 1.00 0.00 C ATOM 363 CG PRO A 23 -13.086 -0.489 1.461 1.00 0.00 C ATOM 364 CD PRO A 23 -11.862 -1.351 1.559 1.00 0.00 C ATOM 0 HA PRO A 23 -12.532 -1.048 -1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.661 1.231 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.009 0.270 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.117 0.232 2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.990 -1.093 1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.036 -0.827 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.049 -2.253 2.141 1.00 0.00 H new ATOM 372 N ALA A 24 -11.006 0.604 -2.543 1.00 0.00 N ATOM 373 CA ALA A 24 -10.010 1.472 -3.181 1.00 0.00 C ATOM 374 C ALA A 24 -10.187 2.939 -2.794 1.00 0.00 C ATOM 375 O ALA A 24 -9.242 3.730 -2.831 1.00 0.00 O ATOM 376 CB ALA A 24 -10.030 1.294 -4.688 1.00 0.00 C ATOM 0 H ALA A 24 -11.736 0.271 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.031 1.167 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.284 1.947 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.803 0.257 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.018 1.550 -5.072 1.00 0.00 H new ATOM 382 N GLY A 25 -11.378 3.280 -2.399 1.00 0.00 N ATOM 383 CA GLY A 25 -11.687 4.659 -2.040 1.00 0.00 C ATOM 384 C GLY A 25 -11.284 4.997 -0.618 1.00 0.00 C ATOM 385 O GLY A 25 -11.377 6.149 -0.193 1.00 0.00 O ATOM 0 H GLY A 25 -12.161 2.632 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.176 5.333 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.757 4.831 -2.161 1.00 0.00 H new ATOM 389 N MET A 26 -10.846 3.996 0.111 1.00 0.00 N ATOM 390 CA MET A 26 -10.418 4.163 1.486 1.00 0.00 C ATOM 391 C MET A 26 -8.989 4.739 1.533 1.00 0.00 C ATOM 392 O MET A 26 -8.248 4.681 0.539 1.00 0.00 O ATOM 393 CB MET A 26 -10.482 2.798 2.185 1.00 0.00 C ATOM 394 CG MET A 26 -10.124 2.791 3.661 1.00 0.00 C ATOM 395 SD MET A 26 -10.202 1.136 4.378 1.00 0.00 S ATOM 396 CE MET A 26 -8.923 0.289 3.455 1.00 0.00 C ATOM 0 H MET A 26 -10.775 3.038 -0.232 1.00 0.00 H new ATOM 0 HA MET A 26 -11.074 4.865 2.001 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.491 2.402 2.074 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.812 2.114 1.665 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.119 3.194 3.791 1.00 0.00 H new ATOM 0 HG3 MET A 26 -10.804 3.451 4.200 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.734 -0.685 3.906 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.247 0.154 2.423 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.008 0.881 3.473 1.00 0.00 H new ATOM 406 N SER A 27 -8.619 5.310 2.663 1.00 0.00 N ATOM 407 CA SER A 27 -7.300 5.830 2.860 1.00 0.00 C ATOM 408 C SER A 27 -6.386 4.732 3.297 1.00 0.00 C ATOM 409 O SER A 27 -6.816 3.754 3.931 1.00 0.00 O ATOM 410 CB SER A 27 -7.320 6.916 3.927 1.00 0.00 C ATOM 411 OG SER A 27 -7.890 6.440 5.135 1.00 0.00 O ATOM 0 H SER A 27 -9.236 5.422 3.468 1.00 0.00 H new ATOM 0 HA SER A 27 -6.945 6.253 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.304 7.264 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.889 7.773 3.566 1.00 0.00 H new ATOM 0 HG SER A 27 -7.888 7.158 5.803 1.00 0.00 H new ATOM 417 N LEU A 28 -5.133 4.863 2.954 1.00 0.00 N ATOM 418 CA LEU A 28 -4.144 3.923 3.399 1.00 0.00 C ATOM 419 C LEU A 28 -4.008 3.990 4.892 1.00 0.00 C ATOM 420 O LEU A 28 -3.768 3.011 5.517 1.00 0.00 O ATOM 421 CB LEU A 28 -2.828 4.238 2.772 1.00 0.00 C ATOM 422 CG LEU A 28 -1.674 3.286 3.089 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.982 1.851 2.677 1.00 0.00 C ATOM 424 CD2 LEU A 28 -0.443 3.762 2.409 1.00 0.00 C ATOM 0 H LEU A 28 -4.773 5.615 2.366 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.457 2.920 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.963 4.262 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.536 5.242 3.079 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.527 3.284 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.134 1.212 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.866 1.501 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.167 1.812 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.381 3.085 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.609 3.787 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.196 4.763 2.762 1.00 0.00 H new ATOM 436 N ASN A 29 -4.196 5.163 5.429 1.00 0.00 N ATOM 437 CA ASN A 29 -4.060 5.405 6.890 1.00 0.00 C ATOM 438 C ASN A 29 -5.033 4.598 7.716 1.00 0.00 C ATOM 439 O ASN A 29 -4.716 4.217 8.848 1.00 0.00 O ATOM 440 CB ASN A 29 -4.104 6.892 7.227 1.00 0.00 C ATOM 441 CG ASN A 29 -2.882 7.625 6.693 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.799 7.054 6.593 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.041 8.871 6.332 1.00 0.00 N ATOM 0 H ASN A 29 -4.448 5.993 4.893 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.069 5.045 7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.007 7.334 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.161 7.019 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.253 9.397 5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.953 9.317 6.427 1.00 0.00 H new ATOM 450 N ASP A 30 -6.204 4.311 7.164 1.00 0.00 N ATOM 451 CA ASP A 30 -7.161 3.444 7.857 1.00 0.00 C ATOM 452 C ASP A 30 -6.596 2.025 7.883 1.00 0.00 C ATOM 453 O ASP A 30 -6.573 1.364 8.909 1.00 0.00 O ATOM 454 CB ASP A 30 -8.514 3.442 7.138 1.00 0.00 C ATOM 455 CG ASP A 30 -9.583 2.665 7.896 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.668 1.429 7.757 1.00 0.00 O ATOM 457 OD2 ASP A 30 -10.362 3.304 8.652 1.00 0.00 O ATOM 0 H ASP A 30 -6.515 4.656 6.256 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.314 3.815 8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.848 4.470 6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.392 3.009 6.145 1.00 0.00 H new ATOM 462 N LEU A 31 -6.089 1.613 6.736 1.00 0.00 N ATOM 463 CA LEU A 31 -5.501 0.279 6.530 1.00 0.00 C ATOM 464 C LEU A 31 -4.231 0.168 7.388 1.00 0.00 C ATOM 465 O LEU A 31 -3.970 -0.858 8.002 1.00 0.00 O ATOM 466 CB LEU A 31 -5.206 0.131 5.009 1.00 0.00 C ATOM 467 CG LEU A 31 -4.833 -1.259 4.430 1.00 0.00 C ATOM 468 CD1 LEU A 31 -3.466 -1.723 4.867 1.00 0.00 C ATOM 469 CD2 LEU A 31 -5.880 -2.286 4.805 1.00 0.00 C ATOM 0 H LEU A 31 -6.068 2.197 5.900 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.172 -0.525 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.086 0.482 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.391 0.814 4.767 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.802 -1.152 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.257 -2.701 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.715 -1.009 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.437 -1.795 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.603 -3.256 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.945 -2.360 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.847 -1.983 4.404 1.00 0.00 H new ATOM 481 N LYS A 32 -3.475 1.241 7.411 1.00 0.00 N ATOM 482 CA LYS A 32 -2.296 1.392 8.266 1.00 0.00 C ATOM 483 C LYS A 32 -2.656 1.160 9.692 1.00 0.00 C ATOM 484 O LYS A 32 -2.010 0.418 10.342 1.00 0.00 O ATOM 485 CB LYS A 32 -1.740 2.806 8.161 1.00 0.00 C ATOM 486 CG LYS A 32 -1.022 3.144 6.876 1.00 0.00 C ATOM 487 CD LYS A 32 0.390 2.573 6.832 1.00 0.00 C ATOM 488 CE LYS A 32 1.237 3.134 7.979 1.00 0.00 C ATOM 489 NZ LYS A 32 2.671 2.793 7.843 1.00 0.00 N ATOM 0 H LYS A 32 -3.657 2.057 6.827 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.555 0.665 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.563 3.509 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.052 2.967 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.593 2.759 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.977 4.227 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.350 1.486 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.856 2.815 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.126 4.218 8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.863 2.746 8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.184 3.106 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.774 1.764 7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.063 3.269 7.006 1.00 0.00 H new ATOM 503 N LYS A 33 -3.715 1.805 10.155 1.00 0.00 N ATOM 504 CA LYS A 33 -4.139 1.711 11.541 1.00 0.00 C ATOM 505 C LYS A 33 -4.464 0.247 11.884 1.00 0.00 C ATOM 506 O LYS A 33 -4.215 -0.217 12.990 1.00 0.00 O ATOM 507 CB LYS A 33 -5.385 2.602 11.742 1.00 0.00 C ATOM 508 CG LYS A 33 -5.638 3.092 13.163 1.00 0.00 C ATOM 509 CD LYS A 33 -4.771 4.325 13.520 1.00 0.00 C ATOM 510 CE LYS A 33 -3.294 4.082 13.323 1.00 0.00 C ATOM 511 NZ LYS A 33 -2.438 5.210 13.742 1.00 0.00 N ATOM 0 H LYS A 33 -4.304 2.408 9.580 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.342 2.052 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.294 3.471 11.091 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.262 2.046 11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.692 3.346 13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.428 2.286 13.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.080 5.170 12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.953 4.602 14.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.005 3.193 13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.108 3.870 12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.442 4.911 13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.564 6.005 13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.704 5.510 14.701 1.00 0.00 H new ATOM 525 N LYS A 34 -4.997 -0.457 10.909 1.00 0.00 N ATOM 526 CA LYS A 34 -5.290 -1.844 11.007 1.00 0.00 C ATOM 527 C LYS A 34 -3.985 -2.659 11.068 1.00 0.00 C ATOM 528 O LYS A 34 -3.849 -3.571 11.883 1.00 0.00 O ATOM 529 CB LYS A 34 -6.157 -2.212 9.801 1.00 0.00 C ATOM 530 CG LYS A 34 -7.674 -2.100 9.996 1.00 0.00 C ATOM 531 CD LYS A 34 -8.114 -0.716 10.462 1.00 0.00 C ATOM 532 CE LYS A 34 -9.629 -0.599 10.546 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.279 -0.742 9.222 1.00 0.00 N ATOM 0 H LYS A 34 -5.241 -0.054 10.004 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.835 -2.075 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.871 -1.572 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.924 -3.237 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.174 -2.337 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.997 -2.843 10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.679 -0.507 11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.730 0.037 9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.013 -1.364 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.893 0.367 10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.281 -0.473 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.804 -0.124 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.209 -1.730 8.906 1.00 0.00 H new ATOM 547 N LEU A 35 -3.029 -2.296 10.231 1.00 0.00 N ATOM 548 CA LEU A 35 -1.702 -2.887 10.221 1.00 0.00 C ATOM 549 C LEU A 35 -1.000 -2.619 11.552 1.00 0.00 C ATOM 550 O LEU A 35 -0.440 -3.524 12.176 1.00 0.00 O ATOM 551 CB LEU A 35 -0.897 -2.272 9.077 1.00 0.00 C ATOM 552 CG LEU A 35 -1.320 -2.618 7.656 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.407 -1.925 6.658 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.307 -4.126 7.433 1.00 0.00 C ATOM 0 H LEU A 35 -3.155 -1.569 9.527 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.781 -3.965 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.934 -1.188 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.144 -2.570 9.200 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.341 -2.266 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.717 -2.178 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.468 -0.846 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.620 -2.253 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.613 -4.345 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.301 -4.510 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.998 -4.603 8.128 1.00 0.00 H new ATOM 566 N GLU A 36 -1.066 -1.375 11.973 1.00 0.00 N ATOM 567 CA GLU A 36 -0.535 -0.886 13.216 1.00 0.00 C ATOM 568 C GLU A 36 -1.116 -1.651 14.400 1.00 0.00 C ATOM 569 O GLU A 36 -0.426 -1.924 15.373 1.00 0.00 O ATOM 570 CB GLU A 36 -0.852 0.613 13.322 1.00 0.00 C ATOM 571 CG GLU A 36 -0.017 1.496 12.392 1.00 0.00 C ATOM 572 CD GLU A 36 -0.405 2.959 12.426 1.00 0.00 C ATOM 573 OE1 GLU A 36 -0.109 3.659 13.443 1.00 0.00 O ATOM 574 OE2 GLU A 36 -1.013 3.449 11.448 1.00 0.00 O ATOM 0 H GLU A 36 -1.517 -0.643 11.424 1.00 0.00 H new ATOM 0 HA GLU A 36 0.544 -1.037 13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.908 0.767 13.100 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.693 0.935 14.351 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.034 1.402 12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.116 1.127 11.371 1.00 0.00 H new ATOM 581 N LEU A 37 -2.363 -2.022 14.291 1.00 0.00 N ATOM 582 CA LEU A 37 -3.037 -2.767 15.333 1.00 0.00 C ATOM 583 C LEU A 37 -2.546 -4.224 15.375 1.00 0.00 C ATOM 584 O LEU A 37 -2.390 -4.811 16.449 1.00 0.00 O ATOM 585 CB LEU A 37 -4.552 -2.723 15.104 1.00 0.00 C ATOM 586 CG LEU A 37 -5.427 -3.426 16.142 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.271 -2.788 17.515 1.00 0.00 C ATOM 588 CD2 LEU A 37 -6.875 -3.410 15.704 1.00 0.00 C ATOM 0 H LEU A 37 -2.945 -1.819 13.479 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.805 -2.306 16.293 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.858 -1.678 15.054 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.761 -3.163 14.129 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.098 -4.462 16.219 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.905 -3.309 18.232 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.231 -2.858 17.833 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.565 -1.740 17.465 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.487 -3.914 16.452 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.211 -2.379 15.595 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.972 -3.926 14.749 1.00 0.00 H new ATOM 600 N VAL A 38 -2.292 -4.794 14.217 1.00 0.00 N ATOM 601 CA VAL A 38 -1.862 -6.183 14.135 1.00 0.00 C ATOM 602 C VAL A 38 -0.365 -6.336 14.439 1.00 0.00 C ATOM 603 O VAL A 38 0.042 -7.256 15.152 1.00 0.00 O ATOM 604 CB VAL A 38 -2.193 -6.805 12.741 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.725 -8.256 12.654 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.687 -6.724 12.462 1.00 0.00 C ATOM 0 H VAL A 38 -2.374 -4.322 13.317 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.421 -6.727 14.897 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.657 -6.228 11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.970 -8.659 11.672 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.646 -8.300 12.805 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.224 -8.846 13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.899 -7.162 11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.231 -7.271 13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.002 -5.681 12.468 1.00 0.00 H new ATOM 616 N VAL A 39 0.440 -5.434 13.927 1.00 0.00 N ATOM 617 CA VAL A 39 1.880 -5.529 14.105 1.00 0.00 C ATOM 618 C VAL A 39 2.351 -4.792 15.359 1.00 0.00 C ATOM 619 O VAL A 39 3.353 -5.169 15.975 1.00 0.00 O ATOM 620 CB VAL A 39 2.652 -5.055 12.835 1.00 0.00 C ATOM 621 CG1 VAL A 39 4.157 -5.269 12.986 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.141 -5.797 11.606 1.00 0.00 C ATOM 0 H VAL A 39 0.129 -4.627 13.385 1.00 0.00 H new ATOM 0 HA VAL A 39 2.112 -6.584 14.249 1.00 0.00 H new ATOM 0 HB VAL A 39 2.474 -3.987 12.713 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.665 -4.928 12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.521 -4.703 13.843 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.360 -6.329 13.139 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.686 -5.459 10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.293 -6.868 11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.078 -5.595 11.475 1.00 0.00 H new ATOM 632 N GLY A 40 1.617 -3.784 15.765 1.00 0.00 N ATOM 633 CA GLY A 40 1.997 -3.042 16.948 1.00 0.00 C ATOM 634 C GLY A 40 2.878 -1.859 16.618 1.00 0.00 C ATOM 635 O GLY A 40 3.329 -1.137 17.507 1.00 0.00 O ATOM 0 H GLY A 40 0.766 -3.461 15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.100 -2.694 17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.522 -3.703 17.637 1.00 0.00 H new ATOM 639 N THR A 41 3.127 -1.669 15.350 1.00 0.00 N ATOM 640 CA THR A 41 3.977 -0.589 14.891 1.00 0.00 C ATOM 641 C THR A 41 3.177 0.751 14.784 1.00 0.00 C ATOM 642 O THR A 41 1.956 0.785 14.987 1.00 0.00 O ATOM 643 CB THR A 41 4.567 -0.967 13.513 1.00 0.00 C ATOM 644 OG1 THR A 41 5.059 -2.308 13.576 1.00 0.00 O ATOM 645 CG2 THR A 41 5.734 -0.071 13.148 1.00 0.00 C ATOM 0 H THR A 41 2.751 -2.253 14.603 1.00 0.00 H new ATOM 0 HA THR A 41 4.781 -0.440 15.612 1.00 0.00 H new ATOM 0 HB THR A 41 3.780 -0.857 12.767 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.037 -2.295 13.633 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.126 -0.363 12.174 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.399 0.965 13.108 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.518 -0.170 13.899 1.00 0.00 H new ATOM 653 N THR A 42 3.891 1.825 14.510 1.00 0.00 N ATOM 654 CA THR A 42 3.342 3.131 14.298 1.00 0.00 C ATOM 655 C THR A 42 3.273 3.420 12.779 1.00 0.00 C ATOM 656 O THR A 42 3.447 2.508 11.961 1.00 0.00 O ATOM 657 CB THR A 42 4.230 4.169 14.996 1.00 0.00 C ATOM 658 OG1 THR A 42 5.587 3.979 14.578 1.00 0.00 O ATOM 659 CG2 THR A 42 4.134 4.033 16.507 1.00 0.00 C ATOM 0 H THR A 42 4.907 1.801 14.428 1.00 0.00 H new ATOM 0 HA THR A 42 2.336 3.184 14.713 1.00 0.00 H new ATOM 0 HB THR A 42 3.891 5.168 14.721 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.161 4.640 15.019 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.772 4.779 16.981 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.102 4.186 16.821 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.460 3.036 16.804 1.00 0.00 H new ATOM 667 N VAL A 43 3.041 4.667 12.397 1.00 0.00 N ATOM 668 CA VAL A 43 2.876 4.993 10.978 1.00 0.00 C ATOM 669 C VAL A 43 4.208 5.114 10.251 1.00 0.00 C ATOM 670 O VAL A 43 4.397 4.491 9.206 1.00 0.00 O ATOM 671 CB VAL A 43 2.056 6.309 10.772 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.935 6.683 9.299 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.679 6.190 11.386 1.00 0.00 C ATOM 0 H VAL A 43 2.963 5.461 13.032 1.00 0.00 H new ATOM 0 HA VAL A 43 2.322 4.158 10.549 1.00 0.00 H new ATOM 0 HB VAL A 43 2.605 7.104 11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.358 7.603 9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.930 6.833 8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.431 5.881 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.129 7.118 11.229 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.141 5.366 10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.773 6.000 12.455 1.00 0.00 H new ATOM 683 N ASP A 44 5.124 5.852 10.813 1.00 0.00 N ATOM 684 CA ASP A 44 6.390 6.116 10.142 1.00 0.00 C ATOM 685 C ASP A 44 7.375 4.978 10.315 1.00 0.00 C ATOM 686 O ASP A 44 8.166 4.684 9.413 1.00 0.00 O ATOM 687 CB ASP A 44 6.987 7.450 10.590 1.00 0.00 C ATOM 688 CG ASP A 44 8.310 7.755 9.926 1.00 0.00 C ATOM 689 OD1 ASP A 44 8.318 8.141 8.731 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.361 7.605 10.587 1.00 0.00 O ATOM 0 H ASP A 44 5.029 6.286 11.731 1.00 0.00 H new ATOM 0 HA ASP A 44 6.179 6.189 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.282 8.251 10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.124 7.436 11.671 1.00 0.00 H new ATOM 695 N SER A 45 7.308 4.311 11.452 1.00 0.00 N ATOM 696 CA SER A 45 8.166 3.209 11.725 1.00 0.00 C ATOM 697 C SER A 45 7.728 1.946 10.984 1.00 0.00 C ATOM 698 O SER A 45 8.438 0.930 10.975 1.00 0.00 O ATOM 699 CB SER A 45 8.216 2.989 13.205 1.00 0.00 C ATOM 700 OG SER A 45 8.681 4.154 13.866 1.00 0.00 O ATOM 0 H SER A 45 6.652 4.530 12.202 1.00 0.00 H new ATOM 0 HA SER A 45 9.167 3.441 11.360 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.224 2.727 13.573 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.873 2.149 13.432 1.00 0.00 H new ATOM 0 HG SER A 45 8.706 3.994 14.832 1.00 0.00 H new ATOM 706 N MET A 46 6.573 1.998 10.378 1.00 0.00 N ATOM 707 CA MET A 46 6.131 0.888 9.582 1.00 0.00 C ATOM 708 C MET A 46 6.184 1.327 8.159 1.00 0.00 C ATOM 709 O MET A 46 5.393 2.174 7.735 1.00 0.00 O ATOM 710 CB MET A 46 4.709 0.496 9.938 1.00 0.00 C ATOM 711 CG MET A 46 4.306 -0.878 9.435 1.00 0.00 C ATOM 712 SD MET A 46 2.654 -1.344 9.965 1.00 0.00 S ATOM 713 CE MET A 46 2.593 -3.031 9.374 1.00 0.00 C ATOM 0 H MET A 46 5.928 2.787 10.419 1.00 0.00 H new ATOM 0 HA MET A 46 6.767 0.021 9.760 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.595 0.523 11.022 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.024 1.238 9.527 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.353 -0.891 8.346 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.022 -1.618 9.794 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.877 -3.599 9.968 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.285 -3.039 8.328 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.580 -3.484 9.465 1.00 0.00 H new ATOM 723 N ARG A 47 7.073 0.776 7.414 1.00 0.00 N ATOM 724 CA ARG A 47 7.238 1.227 6.071 1.00 0.00 C ATOM 725 C ARG A 47 6.444 0.331 5.162 1.00 0.00 C ATOM 726 O ARG A 47 6.382 -0.880 5.379 1.00 0.00 O ATOM 727 CB ARG A 47 8.711 1.268 5.680 1.00 0.00 C ATOM 728 CG ARG A 47 9.069 2.476 4.843 1.00 0.00 C ATOM 729 CD ARG A 47 8.876 3.746 5.665 1.00 0.00 C ATOM 730 NE ARG A 47 9.138 4.976 4.927 1.00 0.00 N ATOM 731 CZ ARG A 47 9.113 6.195 5.479 1.00 0.00 C ATOM 732 NH1 ARG A 47 8.939 6.326 6.802 1.00 0.00 N ATOM 733 NH2 ARG A 47 9.283 7.266 4.720 1.00 0.00 N ATOM 0 H ARG A 47 7.694 0.020 7.703 1.00 0.00 H new ATOM 0 HA ARG A 47 6.867 2.248 5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.321 1.266 6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.959 0.363 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.103 2.403 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.444 2.510 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.853 3.771 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.534 3.708 6.533 1.00 0.00 H new ATOM 0 HE ARG A 47 9.353 4.903 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.826 5.497 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.920 7.254 7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.433 7.161 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.264 8.196 5.139 1.00 0.00 H new ATOM 747 N ILE A 48 5.807 0.907 4.179 1.00 0.00 N ATOM 748 CA ILE A 48 4.941 0.157 3.309 1.00 0.00 C ATOM 749 C ILE A 48 5.494 0.217 1.887 1.00 0.00 C ATOM 750 O ILE A 48 5.756 1.303 1.366 1.00 0.00 O ATOM 751 CB ILE A 48 3.495 0.745 3.317 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.963 0.917 4.757 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.554 -0.154 2.532 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.857 -0.368 5.555 1.00 0.00 C ATOM 0 H ILE A 48 5.872 1.901 3.959 1.00 0.00 H new ATOM 0 HA ILE A 48 4.899 -0.873 3.662 1.00 0.00 H new ATOM 0 HB ILE A 48 3.538 1.727 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.617 1.606 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.978 1.382 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.550 0.269 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.900 -0.231 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.536 -1.146 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.475 -0.147 6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.178 -1.055 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.842 -0.827 5.638 1.00 0.00 H new ATOM 766 N GLN A 49 5.674 -0.929 1.281 1.00 0.00 N ATOM 767 CA GLN A 49 6.175 -1.005 -0.060 1.00 0.00 C ATOM 768 C GLN A 49 5.107 -1.529 -0.994 1.00 0.00 C ATOM 769 O GLN A 49 4.374 -2.468 -0.652 1.00 0.00 O ATOM 770 CB GLN A 49 7.414 -1.885 -0.128 1.00 0.00 C ATOM 771 CG GLN A 49 8.572 -1.337 0.670 1.00 0.00 C ATOM 772 CD GLN A 49 9.802 -2.210 0.601 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.710 -3.427 0.443 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.951 -1.610 0.729 1.00 0.00 N ATOM 0 H GLN A 49 5.476 -1.834 1.707 1.00 0.00 H new ATOM 0 HA GLN A 49 6.453 0.001 -0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.166 -2.881 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.718 -1.996 -1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.819 -0.341 0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.269 -1.227 1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.987 -0.599 0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.815 -2.151 0.700 1.00 0.00 H new ATOM 783 N LEU A 50 5.018 -0.931 -2.157 1.00 0.00 N ATOM 784 CA LEU A 50 4.026 -1.330 -3.151 1.00 0.00 C ATOM 785 C LEU A 50 4.680 -1.924 -4.366 1.00 0.00 C ATOM 786 O LEU A 50 5.503 -1.277 -5.050 1.00 0.00 O ATOM 787 CB LEU A 50 3.076 -0.139 -3.523 1.00 0.00 C ATOM 788 CG LEU A 50 1.926 -0.372 -4.564 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.928 0.767 -4.476 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.459 -0.403 -5.994 1.00 0.00 C ATOM 0 H LEU A 50 5.620 -0.161 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 50 3.405 -2.107 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.616 0.214 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.699 0.672 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 50 1.463 -1.331 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.128 0.607 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.507 0.805 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.431 1.709 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.633 -0.566 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.942 0.547 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.183 -1.212 -6.095 1.00 0.00 H new ATOM 802 N PHE A 51 4.333 -3.140 -4.630 1.00 0.00 N ATOM 803 CA PHE A 51 4.766 -3.806 -5.806 1.00 0.00 C ATOM 804 C PHE A 51 3.564 -3.886 -6.706 1.00 0.00 C ATOM 805 O PHE A 51 2.433 -4.038 -6.217 1.00 0.00 O ATOM 806 CB PHE A 51 5.301 -5.197 -5.482 1.00 0.00 C ATOM 807 CG PHE A 51 6.419 -5.198 -4.476 1.00 0.00 C ATOM 808 CD1 PHE A 51 7.719 -5.003 -4.875 1.00 0.00 C ATOM 809 CD2 PHE A 51 6.162 -5.388 -3.127 1.00 0.00 C ATOM 810 CE1 PHE A 51 8.743 -4.996 -3.958 1.00 0.00 C ATOM 811 CE2 PHE A 51 7.184 -5.382 -2.208 1.00 0.00 C ATOM 812 CZ PHE A 51 8.475 -5.186 -2.623 1.00 0.00 C ATOM 0 H PHE A 51 3.734 -3.703 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 51 5.583 -3.268 -6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.484 -5.811 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.652 -5.665 -6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.939 -4.853 -5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.146 -5.543 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.760 -4.841 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.970 -5.532 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.280 -5.181 -1.903 1.00 0.00 H new ATOM 822 N ASP A 52 3.784 -3.770 -7.978 1.00 0.00 N ATOM 823 CA ASP A 52 2.694 -3.703 -8.950 1.00 0.00 C ATOM 824 C ASP A 52 2.211 -5.122 -9.249 1.00 0.00 C ATOM 825 O ASP A 52 2.298 -6.010 -8.401 1.00 0.00 O ATOM 826 CB ASP A 52 3.238 -3.026 -10.226 1.00 0.00 C ATOM 827 CG ASP A 52 2.183 -2.562 -11.212 1.00 0.00 C ATOM 828 OD1 ASP A 52 1.678 -1.443 -11.065 1.00 0.00 O ATOM 829 OD2 ASP A 52 1.881 -3.304 -12.153 1.00 0.00 O ATOM 0 H ASP A 52 4.716 -3.718 -8.390 1.00 0.00 H new ATOM 0 HA ASP A 52 1.853 -3.127 -8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.841 -2.167 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.904 -3.725 -10.733 1.00 0.00 H new ATOM 834 N GLY A 53 1.691 -5.328 -10.428 1.00 0.00 N ATOM 835 CA GLY A 53 1.283 -6.653 -10.842 1.00 0.00 C ATOM 836 C GLY A 53 2.512 -7.484 -11.127 1.00 0.00 C ATOM 837 O GLY A 53 2.461 -8.716 -11.197 1.00 0.00 O ATOM 0 H GLY A 53 1.537 -4.598 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.684 -7.123 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.656 -6.592 -11.731 1.00 0.00 H new ATOM 841 N ASP A 54 3.609 -6.783 -11.288 1.00 0.00 N ATOM 842 CA ASP A 54 4.908 -7.360 -11.495 1.00 0.00 C ATOM 843 C ASP A 54 5.633 -7.401 -10.140 1.00 0.00 C ATOM 844 O ASP A 54 5.216 -6.731 -9.196 1.00 0.00 O ATOM 845 CB ASP A 54 5.685 -6.501 -12.502 1.00 0.00 C ATOM 846 CG ASP A 54 7.032 -7.072 -12.878 1.00 0.00 C ATOM 847 OD1 ASP A 54 7.101 -7.875 -13.827 1.00 0.00 O ATOM 848 OD2 ASP A 54 8.043 -6.704 -12.253 1.00 0.00 O ATOM 0 H ASP A 54 3.618 -5.763 -11.278 1.00 0.00 H new ATOM 0 HA ASP A 54 4.829 -8.371 -11.895 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.085 -6.384 -13.405 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.827 -5.505 -12.083 1.00 0.00 H new ATOM 853 N ASP A 55 6.703 -8.159 -10.060 1.00 0.00 N ATOM 854 CA ASP A 55 7.442 -8.365 -8.824 1.00 0.00 C ATOM 855 C ASP A 55 8.241 -7.123 -8.409 1.00 0.00 C ATOM 856 O ASP A 55 8.628 -6.972 -7.241 1.00 0.00 O ATOM 857 CB ASP A 55 8.374 -9.561 -8.987 1.00 0.00 C ATOM 858 CG ASP A 55 9.078 -9.976 -7.701 1.00 0.00 C ATOM 859 OD1 ASP A 55 8.453 -10.664 -6.859 1.00 0.00 O ATOM 860 OD2 ASP A 55 10.267 -9.635 -7.522 1.00 0.00 O ATOM 0 H ASP A 55 7.094 -8.658 -10.859 1.00 0.00 H new ATOM 0 HA ASP A 55 6.720 -8.558 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.800 -10.407 -9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.125 -9.324 -9.740 1.00 0.00 H new ATOM 865 N GLN A 56 8.497 -6.250 -9.362 1.00 0.00 N ATOM 866 CA GLN A 56 9.247 -5.030 -9.093 1.00 0.00 C ATOM 867 C GLN A 56 8.484 -4.001 -8.261 1.00 0.00 C ATOM 868 O GLN A 56 7.244 -3.915 -8.291 1.00 0.00 O ATOM 869 CB GLN A 56 9.773 -4.384 -10.355 1.00 0.00 C ATOM 870 CG GLN A 56 10.812 -5.201 -11.082 1.00 0.00 C ATOM 871 CD GLN A 56 11.361 -4.489 -12.296 1.00 0.00 C ATOM 872 OE1 GLN A 56 11.427 -3.249 -12.342 1.00 0.00 O ATOM 873 NE2 GLN A 56 11.756 -5.240 -13.285 1.00 0.00 N ATOM 0 H GLN A 56 8.199 -6.358 -10.331 1.00 0.00 H new ATOM 0 HA GLN A 56 10.092 -5.364 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.937 -4.197 -11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.202 -3.414 -10.102 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.630 -5.433 -10.400 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.374 -6.151 -11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.687 -6.255 -13.213 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.134 -4.813 -14.131 1.00 0.00 H new ATOM 882 N LEU A 57 9.253 -3.217 -7.550 1.00 0.00 N ATOM 883 CA LEU A 57 8.768 -2.187 -6.661 1.00 0.00 C ATOM 884 C LEU A 57 8.447 -0.925 -7.441 1.00 0.00 C ATOM 885 O LEU A 57 9.261 -0.458 -8.259 1.00 0.00 O ATOM 886 CB LEU A 57 9.850 -1.880 -5.609 1.00 0.00 C ATOM 887 CG LEU A 57 9.513 -0.821 -4.550 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.374 -1.282 -3.669 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.737 -0.486 -3.714 1.00 0.00 C ATOM 0 H LEU A 57 10.271 -3.279 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 57 7.859 -2.536 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.094 -2.809 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.751 -1.560 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 57 9.195 0.084 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.154 -0.514 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.489 -1.459 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.656 -2.205 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.475 0.266 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.091 -1.386 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.524 -0.098 -4.361 1.00 0.00 H new ATOM 901 N LYS A 58 7.281 -0.378 -7.205 1.00 0.00 N ATOM 902 CA LYS A 58 6.891 0.869 -7.834 1.00 0.00 C ATOM 903 C LYS A 58 7.342 2.047 -7.012 1.00 0.00 C ATOM 904 O LYS A 58 7.845 3.040 -7.551 1.00 0.00 O ATOM 905 CB LYS A 58 5.388 0.924 -8.073 1.00 0.00 C ATOM 906 CG LYS A 58 4.901 0.032 -9.200 1.00 0.00 C ATOM 907 CD LYS A 58 5.491 0.472 -10.539 1.00 0.00 C ATOM 908 CE LYS A 58 4.995 -0.384 -11.687 1.00 0.00 C ATOM 909 NZ LYS A 58 5.555 0.050 -12.979 1.00 0.00 N ATOM 0 H LYS A 58 6.579 -0.775 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 58 7.385 0.918 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.875 0.641 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.104 1.953 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.181 -1.002 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.813 0.064 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.231 1.514 -10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.579 0.419 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.264 -1.425 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.907 -0.339 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.191 -0.561 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.277 1.035 -13.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.592 -0.017 -12.948 1.00 0.00 H new ATOM 923 N GLY A 59 7.189 1.933 -5.729 1.00 0.00 N ATOM 924 CA GLY A 59 7.586 2.990 -4.859 1.00 0.00 C ATOM 925 C GLY A 59 7.187 2.714 -3.454 1.00 0.00 C ATOM 926 O GLY A 59 6.787 1.581 -3.125 1.00 0.00 O ATOM 0 H GLY A 59 6.792 1.117 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.667 3.121 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.134 3.925 -5.190 1.00 0.00 H new ATOM 930 N GLU A 60 7.253 3.718 -2.632 1.00 0.00 N ATOM 931 CA GLU A 60 6.964 3.584 -1.266 1.00 0.00 C ATOM 932 C GLU A 60 5.753 4.424 -0.944 1.00 0.00 C ATOM 933 O GLU A 60 5.614 5.556 -1.425 1.00 0.00 O ATOM 934 CB GLU A 60 8.173 4.028 -0.449 1.00 0.00 C ATOM 935 CG GLU A 60 8.027 3.863 1.045 1.00 0.00 C ATOM 936 CD GLU A 60 9.248 4.315 1.782 1.00 0.00 C ATOM 937 OE1 GLU A 60 9.337 5.517 2.128 1.00 0.00 O ATOM 938 OE2 GLU A 60 10.131 3.488 2.050 1.00 0.00 O ATOM 0 H GLU A 60 7.515 4.663 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 60 6.748 2.545 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.044 3.462 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.374 5.077 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.164 4.433 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.831 2.816 1.276 1.00 0.00 H new ATOM 945 N LEU A 61 4.884 3.872 -0.180 1.00 0.00 N ATOM 946 CA LEU A 61 3.690 4.547 0.238 1.00 0.00 C ATOM 947 C LEU A 61 3.708 4.666 1.747 1.00 0.00 C ATOM 948 O LEU A 61 4.772 4.532 2.322 1.00 0.00 O ATOM 949 CB LEU A 61 2.389 3.875 -0.330 1.00 0.00 C ATOM 950 CG LEU A 61 2.077 2.404 0.015 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.726 2.004 -0.555 1.00 0.00 C ATOM 952 CD2 LEU A 61 3.127 1.474 -0.530 1.00 0.00 C ATOM 0 H LEU A 61 4.974 2.923 0.184 1.00 0.00 H new ATOM 0 HA LEU A 61 3.670 5.552 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.541 4.474 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.429 3.953 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 61 2.064 2.322 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.519 0.964 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.051 2.641 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.740 2.120 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.875 0.447 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.172 1.571 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.097 1.730 -0.103 1.00 0.00 H new ATOM 964 N THR A 62 2.519 4.781 2.363 1.00 0.00 N ATOM 965 CA THR A 62 2.265 5.142 3.807 1.00 0.00 C ATOM 966 C THR A 62 1.686 6.571 3.901 1.00 0.00 C ATOM 967 O THR A 62 1.512 7.124 4.986 1.00 0.00 O ATOM 968 CB THR A 62 3.527 4.987 4.783 1.00 0.00 C ATOM 969 OG1 THR A 62 3.081 4.967 6.145 1.00 0.00 O ATOM 970 CG2 THR A 62 4.522 6.171 4.640 1.00 0.00 C ATOM 0 H THR A 62 1.648 4.620 1.857 1.00 0.00 H new ATOM 0 HA THR A 62 1.542 4.408 4.164 1.00 0.00 H new ATOM 0 HB THR A 62 4.030 4.059 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.393 5.653 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.362 6.025 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.889 6.216 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.015 7.104 4.885 1.00 0.00 H new ATOM 978 N ASP A 63 1.329 7.110 2.738 1.00 0.00 N ATOM 979 CA ASP A 63 0.704 8.434 2.602 1.00 0.00 C ATOM 980 C ASP A 63 -0.660 8.478 3.304 1.00 0.00 C ATOM 981 O ASP A 63 -0.812 9.077 4.351 1.00 0.00 O ATOM 982 CB ASP A 63 0.500 8.752 1.111 1.00 0.00 C ATOM 983 CG ASP A 63 1.776 8.703 0.317 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.295 7.591 0.095 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.279 9.761 -0.097 1.00 0.00 O ATOM 0 H ASP A 63 1.466 6.636 1.846 1.00 0.00 H new ATOM 0 HA ASP A 63 1.363 9.169 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.211 8.042 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.057 9.743 1.014 1.00 0.00 H new ATOM 990 N GLY A 64 -1.657 7.846 2.681 1.00 0.00 N ATOM 991 CA GLY A 64 -3.011 7.769 3.237 1.00 0.00 C ATOM 992 C GLY A 64 -3.808 9.066 3.155 1.00 0.00 C ATOM 993 O GLY A 64 -4.994 9.074 3.445 1.00 0.00 O ATOM 0 H GLY A 64 -1.551 7.376 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.560 6.987 2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.943 7.465 4.282 1.00 0.00 H new ATOM 997 N ALA A 65 -3.165 10.150 2.751 1.00 0.00 N ATOM 998 CA ALA A 65 -3.842 11.445 2.574 1.00 0.00 C ATOM 999 C ALA A 65 -4.438 11.513 1.172 1.00 0.00 C ATOM 1000 O ALA A 65 -4.947 12.532 0.719 1.00 0.00 O ATOM 1001 CB ALA A 65 -2.863 12.569 2.790 1.00 0.00 C ATOM 0 H ALA A 65 -2.168 10.168 2.536 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.644 11.544 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.371 13.524 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.459 12.510 3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.050 12.487 2.069 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.364 10.398 0.534 1.00 0.00 N ATOM 1008 CA LYS A 66 -4.837 10.142 -0.777 1.00 0.00 C ATOM 1009 C LYS A 66 -5.354 8.729 -0.736 1.00 0.00 C ATOM 1010 O LYS A 66 -4.943 7.956 0.166 1.00 0.00 O ATOM 1011 CB LYS A 66 -3.677 10.329 -1.778 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.403 9.569 -1.395 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.186 9.955 -2.251 1.00 0.00 C ATOM 1014 CE LYS A 66 -1.359 9.615 -3.718 1.00 0.00 C ATOM 1015 NZ LYS A 66 -0.148 9.939 -4.508 1.00 0.00 N ATOM 0 H LYS A 66 -3.934 9.574 0.954 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.627 10.820 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.003 9.999 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.446 11.391 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.176 9.759 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.583 8.498 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.004 11.025 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.303 9.444 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.586 8.554 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.211 10.163 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.308 9.691 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.054 10.956 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.661 9.397 -4.142 1.00 0.00 H new ATOM 1029 N SER A 67 -6.215 8.363 -1.640 1.00 0.00 N ATOM 1030 CA SER A 67 -6.833 7.093 -1.557 1.00 0.00 C ATOM 1031 C SER A 67 -5.927 6.023 -2.036 1.00 0.00 C ATOM 1032 O SER A 67 -4.884 6.280 -2.648 1.00 0.00 O ATOM 1033 CB SER A 67 -8.130 7.070 -2.344 1.00 0.00 C ATOM 1034 OG SER A 67 -7.910 7.455 -3.691 1.00 0.00 O ATOM 0 H SER A 67 -6.498 8.932 -2.438 1.00 0.00 H new ATOM 0 HA SER A 67 -7.059 6.906 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.561 6.069 -2.313 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.852 7.743 -1.882 1.00 0.00 H new ATOM 0 HG SER A 67 -8.759 7.432 -4.181 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.332 4.844 -1.776 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.641 3.673 -2.199 1.00 0.00 C ATOM 1042 C LEU A 68 -5.751 3.532 -3.695 1.00 0.00 C ATOM 1043 O LEU A 68 -4.864 3.019 -4.349 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.246 2.504 -1.470 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.970 2.512 0.026 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.898 1.592 0.747 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.546 2.080 0.273 1.00 0.00 C ATOM 0 H LEU A 68 -7.181 4.650 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.578 3.726 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.324 2.503 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.859 1.579 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.127 3.523 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.679 1.617 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.927 1.910 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.767 0.576 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.345 2.085 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.398 1.074 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.865 2.769 -0.227 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.818 4.064 -4.225 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.079 4.023 -5.640 1.00 0.00 C ATOM 1061 C LYS A 69 -6.105 4.988 -6.318 1.00 0.00 C ATOM 1062 O LYS A 69 -5.525 4.682 -7.364 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.559 4.430 -5.884 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.149 4.141 -7.276 1.00 0.00 C ATOM 1065 CD LYS A 69 -8.537 4.970 -8.383 1.00 0.00 C ATOM 1066 CE LYS A 69 -9.192 4.659 -9.712 1.00 0.00 C ATOM 1067 NZ LYS A 69 -8.654 5.484 -10.809 1.00 0.00 N ATOM 0 H LYS A 69 -7.538 4.543 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.934 3.025 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.176 3.920 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.651 5.499 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.010 3.085 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.223 4.323 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.651 6.030 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.467 4.770 -8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.046 3.605 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.267 4.822 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.133 5.235 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.816 6.490 -10.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.633 5.310 -10.906 1.00 0.00 H new ATOM 1081 N ASP A 70 -5.897 6.132 -5.674 1.00 0.00 N ATOM 1082 CA ASP A 70 -4.998 7.167 -6.186 1.00 0.00 C ATOM 1083 C ASP A 70 -3.555 6.718 -6.019 1.00 0.00 C ATOM 1084 O ASP A 70 -2.681 7.077 -6.798 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.224 8.467 -5.433 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.583 9.662 -6.108 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.176 10.193 -7.061 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -3.513 10.106 -5.688 1.00 0.00 O ATOM 0 H ASP A 70 -6.343 6.369 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.204 7.330 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.295 8.643 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.825 8.370 -4.423 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.328 5.907 -4.997 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.002 5.316 -4.740 1.00 0.00 C ATOM 1095 C LEU A 71 -1.692 4.209 -5.745 1.00 0.00 C ATOM 1096 O LEU A 71 -0.542 3.794 -5.888 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.921 4.730 -3.310 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.863 5.719 -2.133 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.982 4.970 -0.827 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.547 6.467 -2.154 1.00 0.00 C ATOM 0 H LEU A 71 -4.043 5.635 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.269 6.116 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.787 4.084 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.037 4.095 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.688 6.425 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.940 5.676 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.931 4.434 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.161 4.258 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.512 7.166 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.276 5.758 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.456 7.017 -3.091 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.703 3.760 -6.457 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.503 2.729 -7.443 1.00 0.00 C ATOM 1114 C GLY A 72 -2.708 1.354 -6.886 1.00 0.00 C ATOM 1115 O GLY A 72 -2.323 0.364 -7.502 1.00 0.00 O ATOM 0 H GLY A 72 -3.664 4.092 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.191 2.887 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.493 2.807 -7.846 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.319 1.279 -5.732 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.597 0.017 -5.117 1.00 0.00 C ATOM 1121 C VAL A 73 -4.849 -0.563 -5.764 1.00 0.00 C ATOM 1122 O VAL A 73 -5.978 -0.222 -5.407 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.783 0.145 -3.578 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -4.017 -1.208 -2.942 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.576 0.824 -2.942 1.00 0.00 C ATOM 0 H VAL A 73 -3.634 2.089 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.747 -0.647 -5.271 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.664 0.763 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.144 -1.087 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.915 -1.658 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.161 -1.854 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.728 0.903 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.681 0.234 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.455 1.821 -3.365 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.626 -1.354 -6.775 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.689 -1.975 -7.522 1.00 0.00 C ATOM 1137 C ARG A 74 -5.675 -3.458 -7.226 1.00 0.00 C ATOM 1138 O ARG A 74 -4.948 -3.909 -6.335 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.451 -1.775 -9.021 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.279 -0.335 -9.458 1.00 0.00 C ATOM 1141 CD ARG A 74 -4.966 -0.273 -10.939 1.00 0.00 C ATOM 1142 NE ARG A 74 -4.710 1.089 -11.409 1.00 0.00 N ATOM 1143 CZ ARG A 74 -4.184 1.396 -12.600 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -3.866 0.429 -13.473 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -3.985 2.669 -12.915 1.00 0.00 N ATOM 0 H ARG A 74 -3.692 -1.590 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.645 -1.532 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.561 -2.335 -9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.290 -2.206 -9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.188 0.228 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.475 0.132 -8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.095 -0.894 -11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.800 -0.695 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.950 1.859 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.025 -0.549 -13.231 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.465 0.672 -14.379 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.232 3.403 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.584 2.914 -13.821 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.456 -4.216 -7.959 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.477 -5.655 -7.787 1.00 0.00 C ATOM 1161 C ASP A 75 -5.211 -6.269 -8.297 1.00 0.00 C ATOM 1162 O ASP A 75 -4.628 -5.818 -9.301 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.639 -6.318 -8.507 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.991 -5.953 -7.970 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -9.593 -4.949 -8.426 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -9.485 -6.683 -7.098 1.00 0.00 O ATOM 0 H ASP A 75 -7.086 -3.864 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.587 -5.823 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.597 -6.050 -9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.518 -7.400 -8.447 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.796 -7.276 -7.619 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.614 -8.031 -8.023 1.00 0.00 C ATOM 1173 C GLY A 76 -2.307 -7.457 -7.504 1.00 0.00 C ATOM 1174 O GLY A 76 -1.225 -7.944 -7.855 1.00 0.00 O ATOM 0 H GLY A 76 -5.246 -7.617 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.713 -9.058 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.575 -8.070 -9.112 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.398 -6.440 -6.689 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.229 -5.821 -6.100 1.00 0.00 C ATOM 1180 C TYR A 77 -0.858 -6.486 -4.795 1.00 0.00 C ATOM 1181 O TYR A 77 -1.692 -7.124 -4.136 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.438 -4.312 -5.899 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.336 -3.488 -7.168 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.241 -3.629 -8.210 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.311 -2.574 -7.319 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.121 -2.874 -9.363 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.186 -1.820 -8.461 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.091 -1.972 -9.480 1.00 0.00 C ATOM 1189 OH TYR A 77 -0.960 -1.216 -10.621 1.00 0.00 O ATOM 0 H TYR A 77 -3.282 -6.014 -6.411 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.402 -5.957 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.420 -4.150 -5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.700 -3.948 -5.184 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.051 -4.338 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.407 -2.449 -6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.833 -2.993 -10.167 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.622 -1.110 -8.556 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.079 -1.375 -11.019 1.00 0.00 H new ATOM 1199 N ARG A 78 0.381 -6.363 -4.428 1.00 0.00 N ATOM 1200 CA ARG A 78 0.835 -6.895 -3.181 1.00 0.00 C ATOM 1201 C ARG A 78 1.345 -5.746 -2.332 1.00 0.00 C ATOM 1202 O ARG A 78 2.056 -4.854 -2.828 1.00 0.00 O ATOM 1203 CB ARG A 78 1.933 -7.965 -3.377 1.00 0.00 C ATOM 1204 CG ARG A 78 3.191 -7.429 -4.011 1.00 0.00 C ATOM 1205 CD ARG A 78 4.306 -8.459 -4.110 1.00 0.00 C ATOM 1206 NE ARG A 78 4.011 -9.546 -5.037 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.943 -10.204 -5.739 1.00 0.00 C ATOM 1208 NH1 ARG A 78 6.234 -9.877 -5.610 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.584 -11.185 -6.554 1.00 0.00 N ATOM 0 H ARG A 78 1.100 -5.895 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 78 0.005 -7.393 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.181 -8.401 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.538 -8.770 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.957 -7.061 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.545 -6.576 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.223 -7.961 -4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.494 -8.876 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 78 3.036 -9.822 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.509 -9.126 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.943 -10.379 -6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.600 -11.438 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.292 -11.688 -7.090 1.00 0.00 H new ATOM 1223 N ILE A 79 0.976 -5.737 -1.093 1.00 0.00 N ATOM 1224 CA ILE A 79 1.396 -4.698 -0.197 1.00 0.00 C ATOM 1225 C ILE A 79 2.289 -5.279 0.861 1.00 0.00 C ATOM 1226 O ILE A 79 1.893 -6.172 1.614 1.00 0.00 O ATOM 1227 CB ILE A 79 0.200 -3.929 0.437 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.607 -3.188 -0.649 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.670 -2.958 1.517 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.184 -2.151 -1.435 1.00 0.00 C ATOM 0 H ILE A 79 0.377 -6.445 -0.670 1.00 0.00 H new ATOM 0 HA ILE A 79 1.952 -3.962 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.451 -4.662 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.011 -3.922 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.457 -2.695 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.190 -2.438 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.182 -3.510 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.355 -2.231 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.465 -1.682 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.565 -1.391 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.019 -2.637 -1.940 1.00 0.00 H new ATOM 1242 N HIS A 80 3.485 -4.793 0.897 1.00 0.00 N ATOM 1243 CA HIS A 80 4.473 -5.276 1.804 1.00 0.00 C ATOM 1244 C HIS A 80 4.751 -4.252 2.884 1.00 0.00 C ATOM 1245 O HIS A 80 4.963 -3.096 2.594 1.00 0.00 O ATOM 1246 CB HIS A 80 5.757 -5.606 1.030 1.00 0.00 C ATOM 1247 CG HIS A 80 6.896 -5.988 1.903 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.020 -7.230 2.468 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.933 -5.251 2.357 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.076 -7.255 3.246 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.656 -6.062 3.196 1.00 0.00 N ATOM 0 H HIS A 80 3.808 -4.040 0.290 1.00 0.00 H new ATOM 0 HA HIS A 80 4.103 -6.181 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.553 -6.421 0.335 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.043 -4.741 0.432 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.151 -4.223 2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.415 -8.100 3.827 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.501 -5.792 3.699 1.00 0.00 H new ATOM 1260 N ALA A 81 4.753 -4.680 4.103 1.00 0.00 N ATOM 1261 CA ALA A 81 5.081 -3.810 5.200 1.00 0.00 C ATOM 1262 C ALA A 81 6.349 -4.285 5.886 1.00 0.00 C ATOM 1263 O ALA A 81 6.623 -5.482 5.936 1.00 0.00 O ATOM 1264 CB ALA A 81 3.931 -3.744 6.177 1.00 0.00 C ATOM 0 H ALA A 81 4.529 -5.638 4.373 1.00 0.00 H new ATOM 0 HA ALA A 81 5.258 -2.806 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.192 -3.082 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.045 -3.360 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.724 -4.742 6.564 1.00 0.00 H new ATOM 1270 N VAL A 82 7.123 -3.361 6.373 1.00 0.00 N ATOM 1271 CA VAL A 82 8.339 -3.671 7.068 1.00 0.00 C ATOM 1272 C VAL A 82 8.447 -2.826 8.341 1.00 0.00 C ATOM 1273 O VAL A 82 8.167 -1.618 8.326 1.00 0.00 O ATOM 1274 CB VAL A 82 9.584 -3.481 6.133 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.679 -2.066 5.592 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.880 -3.885 6.820 1.00 0.00 C ATOM 0 H VAL A 82 6.927 -2.363 6.299 1.00 0.00 H new ATOM 0 HA VAL A 82 8.319 -4.720 7.363 1.00 0.00 H new ATOM 0 HB VAL A 82 9.436 -4.150 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.556 -1.980 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.783 -1.836 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.767 -1.364 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.716 -3.737 6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.026 -3.273 7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.828 -4.935 7.107 1.00 0.00 H new ATOM 1286 N ASP A 83 8.794 -3.470 9.431 1.00 0.00 N ATOM 1287 CA ASP A 83 8.946 -2.796 10.717 1.00 0.00 C ATOM 1288 C ASP A 83 10.386 -2.454 10.983 1.00 0.00 C ATOM 1289 O ASP A 83 11.247 -3.337 11.059 1.00 0.00 O ATOM 1290 CB ASP A 83 8.420 -3.656 11.863 1.00 0.00 C ATOM 1291 CG ASP A 83 8.642 -3.020 13.233 1.00 0.00 C ATOM 1292 OD1 ASP A 83 7.779 -2.252 13.693 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.687 -3.288 13.870 1.00 0.00 O ATOM 0 H ASP A 83 8.980 -4.472 9.461 1.00 0.00 H new ATOM 0 HA ASP A 83 8.361 -1.878 10.663 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.354 -3.833 11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.911 -4.629 11.836 1.00 0.00 H new ATOM 1298 N VAL A 84 10.650 -1.194 11.134 1.00 0.00 N ATOM 1299 CA VAL A 84 11.973 -0.736 11.443 1.00 0.00 C ATOM 1300 C VAL A 84 12.071 -0.356 12.921 1.00 0.00 C ATOM 1301 O VAL A 84 13.110 0.103 13.388 1.00 0.00 O ATOM 1302 CB VAL A 84 12.389 0.465 10.565 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.407 0.085 9.092 1.00 0.00 C ATOM 1304 CG2 VAL A 84 11.497 1.674 10.798 1.00 0.00 C ATOM 0 H VAL A 84 9.956 -0.452 11.047 1.00 0.00 H new ATOM 0 HA VAL A 84 12.658 -1.557 11.231 1.00 0.00 H new ATOM 0 HB VAL A 84 13.401 0.743 10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.703 0.949 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.118 -0.726 8.934 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.412 -0.241 8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.824 2.496 10.161 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.465 1.417 10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.561 1.977 11.843 1.00 0.00 H new ATOM 1314 N THR A 85 10.994 -0.588 13.653 1.00 0.00 N ATOM 1315 CA THR A 85 10.920 -0.235 15.064 1.00 0.00 C ATOM 1316 C THR A 85 11.801 -1.178 15.881 1.00 0.00 C ATOM 1317 O THR A 85 12.421 -0.781 16.866 1.00 0.00 O ATOM 1318 CB THR A 85 9.477 -0.395 15.546 1.00 0.00 C ATOM 1319 OG1 THR A 85 8.597 0.220 14.603 1.00 0.00 O ATOM 1320 CG2 THR A 85 9.280 0.241 16.914 1.00 0.00 C ATOM 0 H THR A 85 10.148 -1.025 13.289 1.00 0.00 H new ATOM 0 HA THR A 85 11.257 0.794 15.191 1.00 0.00 H new ATOM 0 HB THR A 85 9.256 -1.459 15.631 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.135 0.972 15.029 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.245 0.111 17.230 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.942 -0.237 17.636 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.511 1.305 16.857 1.00 0.00 H new ATOM 1328 N GLY A 86 11.883 -2.409 15.435 1.00 0.00 N ATOM 1329 CA GLY A 86 12.735 -3.365 16.088 1.00 0.00 C ATOM 1330 C GLY A 86 13.993 -3.578 15.306 1.00 0.00 C ATOM 1331 O GLY A 86 14.783 -4.471 15.610 1.00 0.00 O ATOM 0 H GLY A 86 11.373 -2.767 14.628 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.980 -3.015 17.091 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.207 -4.312 16.201 1.00 0.00 H new ATOM 1335 N GLY A 87 14.184 -2.734 14.296 1.00 0.00 N ATOM 1336 CA GLY A 87 15.315 -2.861 13.408 1.00 0.00 C ATOM 1337 C GLY A 87 15.274 -4.166 12.669 1.00 0.00 C ATOM 1338 O GLY A 87 16.305 -4.805 12.459 1.00 0.00 O ATOM 0 H GLY A 87 13.563 -1.955 14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.317 -2.036 12.696 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.240 -2.792 13.980 1.00 0.00 H new ATOM 1342 N ASN A 88 14.085 -4.556 12.261 1.00 0.00 N ATOM 1343 CA ASN A 88 13.879 -5.832 11.622 1.00 0.00 C ATOM 1344 C ASN A 88 14.000 -5.721 10.133 1.00 0.00 C ATOM 1345 O ASN A 88 13.320 -4.919 9.500 1.00 0.00 O ATOM 1346 CB ASN A 88 12.509 -6.406 11.987 1.00 0.00 C ATOM 1347 CG ASN A 88 12.380 -6.770 13.450 1.00 0.00 C ATOM 1348 OD1 ASN A 88 13.354 -7.156 14.100 1.00 0.00 O ATOM 1349 ND2 ASN A 88 11.191 -6.642 13.982 1.00 0.00 N ATOM 0 H ASN A 88 13.238 -3.997 12.364 1.00 0.00 H new ATOM 0 HA ASN A 88 14.656 -6.507 11.983 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.739 -5.678 11.732 1.00 0.00 H new ATOM 0 HB3 ASN A 88 12.322 -7.293 11.382 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.046 -6.865 14.967 1.00 0.00 H new ATOM 0 HD22 ASN A 88 10.409 -6.320 13.412 1.00 0.00 H new ATOM 1356 N GLU A 89 14.886 -6.501 9.587 1.00 0.00 N ATOM 1357 CA GLU A 89 15.084 -6.596 8.153 1.00 0.00 C ATOM 1358 C GLU A 89 15.808 -7.893 7.818 1.00 0.00 C ATOM 1359 O GLU A 89 16.259 -8.105 6.696 1.00 0.00 O ATOM 1360 CB GLU A 89 15.820 -5.357 7.601 1.00 0.00 C ATOM 1361 CG GLU A 89 17.167 -5.053 8.238 1.00 0.00 C ATOM 1362 CD GLU A 89 17.758 -3.779 7.691 1.00 0.00 C ATOM 1363 OE1 GLU A 89 17.485 -2.691 8.263 1.00 0.00 O ATOM 1364 OE2 GLU A 89 18.482 -3.837 6.675 1.00 0.00 O ATOM 0 H GLU A 89 15.507 -7.104 10.127 1.00 0.00 H new ATOM 0 HA GLU A 89 14.111 -6.616 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.968 -5.492 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.175 -4.488 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.049 -4.967 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.852 -5.881 8.057 1.00 0.00 H new ATOM 1371 N ASP A 90 15.884 -8.758 8.807 1.00 0.00 N ATOM 1372 CA ASP A 90 16.510 -10.057 8.676 1.00 0.00 C ATOM 1373 C ASP A 90 15.426 -11.088 8.438 1.00 0.00 C ATOM 1374 O ASP A 90 15.182 -11.428 7.278 1.00 0.00 O ATOM 1375 CB ASP A 90 17.319 -10.398 9.940 1.00 0.00 C ATOM 1376 CG ASP A 90 17.965 -11.772 9.900 1.00 0.00 C ATOM 1377 OD1 ASP A 90 19.050 -11.917 9.294 1.00 0.00 O ATOM 1378 OD2 ASP A 90 17.432 -12.714 10.526 1.00 0.00 O ATOM 0 H ASP A 90 15.508 -8.576 9.737 1.00 0.00 H new ATOM 0 HA ASP A 90 17.203 -10.051 7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 90 18.095 -9.645 10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.662 -10.341 10.808 1.00 0.00 H new TER 1383 ASP A 90