USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 699 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.158 (180deg=0.146) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc=-0.00395 X(o=-0.004,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.18) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.654 X(o=-0.65,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.463 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00805 USER MOD Single : A 36 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.1) USER MOD Single : A 38 ASN : amide:sc= -4.28! K(o=-4.3!,f=-0.33) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.23! K(o=-3.2!,f=-0.21) USER MOD Single : A 57 SER OG : rot -164:sc= -3.18! USER MOD Single : A 59 GLN : amide:sc= -3.07 K(o=-3.1,f=-0.32) USER MOD Single : A 60 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-4.1!) USER MOD Single : A 64 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -53:sc= 1.02 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 84 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.16) USER MOD Single : A 85 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.0057) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 87 HIS : no HD1:sc= -0.0291 K(o=-0.029,f=-0.86) USER MOD Single : A 88 HIS : no HD1:sc= -0.0922 X(o=-0.092,f=-0.0081) USER MOD Single : A 89 HIS : no HD1:sc= -0.0878 X(o=-0.088,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.944 -7.330 19.046 1.00 0.00 N ATOM 2 CA MET A 1 -13.323 -8.357 18.041 1.00 0.00 C ATOM 3 C MET A 1 -14.257 -7.775 16.984 1.00 0.00 C ATOM 4 O MET A 1 -15.455 -7.624 17.217 1.00 0.00 O ATOM 5 CB MET A 1 -14.004 -9.519 18.767 1.00 0.00 C ATOM 6 CG MET A 1 -13.079 -10.694 19.039 1.00 0.00 C ATOM 7 SD MET A 1 -11.696 -10.257 20.110 1.00 0.00 S ATOM 8 CE MET A 1 -11.023 -11.877 20.472 1.00 0.00 C ATOM 0 H1 MET A 1 -12.407 -7.779 19.815 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.356 -6.601 18.593 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.803 -6.890 19.434 1.00 0.00 H new ATOM 0 HA MET A 1 -12.427 -8.707 17.529 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.407 -9.159 19.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.849 -9.863 18.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.649 -11.501 19.500 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.694 -11.075 18.093 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.158 -11.774 21.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.782 -12.484 20.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.719 -12.361 19.544 1.00 0.00 H new ATOM 20 N ARG A 2 -13.698 -7.454 15.821 1.00 0.00 N ATOM 21 CA ARG A 2 -14.482 -6.889 14.726 1.00 0.00 C ATOM 22 C ARG A 2 -15.098 -7.993 13.872 1.00 0.00 C ATOM 23 O ARG A 2 -14.740 -9.164 14.003 1.00 0.00 O ATOM 24 CB ARG A 2 -13.613 -5.979 13.855 1.00 0.00 C ATOM 25 CG ARG A 2 -12.169 -6.439 13.735 1.00 0.00 C ATOM 26 CD ARG A 2 -11.775 -6.672 12.286 1.00 0.00 C ATOM 27 NE ARG A 2 -10.444 -7.264 12.171 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.642 -7.084 11.125 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.034 -6.337 10.102 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.444 -7.655 11.101 1.00 0.00 N ATOM 0 H ARG A 2 -12.707 -7.575 15.612 1.00 0.00 H new ATOM 0 HA ARG A 2 -15.287 -6.297 15.161 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -14.050 -5.921 12.858 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -13.630 -4.971 14.270 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.510 -5.691 14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.031 -7.359 14.303 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.506 -7.327 11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.799 -5.725 11.747 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.111 -7.849 12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.954 -5.897 10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.415 -6.202 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.138 -8.232 11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.829 -7.517 10.299 1.00 0.00 H new ATOM 44 N GLY A 3 -16.024 -7.611 12.999 1.00 0.00 N ATOM 45 CA GLY A 3 -16.677 -8.578 12.135 1.00 0.00 C ATOM 46 C GLY A 3 -16.000 -8.701 10.784 1.00 0.00 C ATOM 47 O GLY A 3 -14.957 -8.092 10.549 1.00 0.00 O ATOM 0 H GLY A 3 -16.335 -6.648 12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -16.683 -9.552 12.625 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.718 -8.287 11.991 1.00 0.00 H new ATOM 51 N SER A 4 -16.600 -9.491 9.897 1.00 0.00 N ATOM 52 CA SER A 4 -16.055 -9.698 8.559 1.00 0.00 C ATOM 53 C SER A 4 -14.614 -10.195 8.628 1.00 0.00 C ATOM 54 O SER A 4 -13.671 -9.429 8.423 1.00 0.00 O ATOM 55 CB SER A 4 -16.126 -8.401 7.750 1.00 0.00 C ATOM 56 OG SER A 4 -16.967 -8.551 6.619 1.00 0.00 O ATOM 0 H SER A 4 -17.465 -9.999 10.082 1.00 0.00 H new ATOM 0 HA SER A 4 -16.657 -10.459 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.500 -7.595 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.125 -8.115 7.427 1.00 0.00 H new ATOM 0 HG SER A 4 -16.997 -7.708 6.120 1.00 0.00 H new ATOM 62 N ASN A 5 -14.451 -11.481 8.921 1.00 0.00 N ATOM 63 CA ASN A 5 -13.126 -12.082 9.019 1.00 0.00 C ATOM 64 C ASN A 5 -12.466 -12.179 7.646 1.00 0.00 C ATOM 65 O ASN A 5 -12.958 -11.614 6.668 1.00 0.00 O ATOM 66 CB ASN A 5 -13.220 -13.473 9.650 1.00 0.00 C ATOM 67 CG ASN A 5 -12.858 -13.466 11.122 1.00 0.00 C ATOM 68 OD1 ASN A 5 -13.710 -13.685 11.983 1.00 0.00 O ATOM 69 ND2 ASN A 5 -11.588 -13.217 11.417 1.00 0.00 N ATOM 0 H ASN A 5 -15.221 -12.127 9.095 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.512 -11.442 9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.234 -13.856 9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.557 -14.155 9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.284 -13.202 12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.916 -13.041 10.670 1.00 0.00 H new ATOM 76 N ALA A 6 -11.350 -12.898 7.584 1.00 0.00 N ATOM 77 CA ALA A 6 -10.621 -13.073 6.334 1.00 0.00 C ATOM 78 C ALA A 6 -9.970 -14.454 6.268 1.00 0.00 C ATOM 79 O ALA A 6 -9.263 -14.857 7.192 1.00 0.00 O ATOM 80 CB ALA A 6 -9.569 -11.984 6.182 1.00 0.00 C ATOM 0 H ALA A 6 -10.931 -13.369 8.386 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.332 -12.995 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.031 -12.126 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.054 -11.008 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.867 -12.037 7.014 1.00 0.00 H new ATOM 86 N PRO A 7 -10.199 -15.202 5.172 1.00 0.00 N ATOM 87 CA PRO A 7 -9.627 -16.539 5.000 1.00 0.00 C ATOM 88 C PRO A 7 -8.118 -16.497 4.771 1.00 0.00 C ATOM 89 O PRO A 7 -7.338 -16.550 5.721 1.00 0.00 O ATOM 90 CB PRO A 7 -10.354 -17.083 3.766 1.00 0.00 C ATOM 91 CG PRO A 7 -10.753 -15.870 2.998 1.00 0.00 C ATOM 92 CD PRO A 7 -11.030 -14.801 4.019 1.00 0.00 C ATOM 0 HA PRO A 7 -9.757 -17.159 5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.704 -17.729 3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.223 -17.677 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.960 -15.562 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.636 -16.067 2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.755 -13.813 3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.087 -14.760 4.281 1.00 0.00 H new ATOM 100 N GLN A 8 -7.712 -16.393 3.506 1.00 0.00 N ATOM 101 CA GLN A 8 -6.296 -16.338 3.155 1.00 0.00 C ATOM 102 C GLN A 8 -5.531 -17.514 3.762 1.00 0.00 C ATOM 103 O GLN A 8 -4.793 -17.348 4.733 1.00 0.00 O ATOM 104 CB GLN A 8 -5.685 -15.013 3.625 1.00 0.00 C ATOM 105 CG GLN A 8 -6.542 -13.796 3.306 1.00 0.00 C ATOM 106 CD GLN A 8 -7.093 -13.821 1.893 1.00 0.00 C ATOM 107 OE1 GLN A 8 -6.354 -14.019 0.929 1.00 0.00 O ATOM 108 NE2 GLN A 8 -8.400 -13.621 1.765 1.00 0.00 N ATOM 0 H GLN A 8 -8.345 -16.345 2.708 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.215 -16.404 2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.523 -15.060 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.707 -14.889 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.370 -13.744 4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.948 -12.892 3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.975 -13.461 2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.829 -13.628 0.840 1.00 0.00 H new ATOM 117 N PRO A 9 -5.699 -18.723 3.196 1.00 0.00 N ATOM 118 CA PRO A 9 -5.020 -19.924 3.690 1.00 0.00 C ATOM 119 C PRO A 9 -3.534 -19.936 3.342 1.00 0.00 C ATOM 120 O PRO A 9 -3.139 -20.431 2.286 1.00 0.00 O ATOM 121 CB PRO A 9 -5.747 -21.060 2.969 1.00 0.00 C ATOM 122 CG PRO A 9 -6.243 -20.448 1.706 1.00 0.00 C ATOM 123 CD PRO A 9 -6.564 -19.015 2.034 1.00 0.00 C ATOM 0 HA PRO A 9 -5.057 -19.996 4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.076 -21.895 2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.569 -21.449 3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.489 -20.509 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.126 -20.971 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.346 -18.353 1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.619 -18.886 2.277 1.00 0.00 H new ATOM 131 N SER A 10 -2.718 -19.388 4.241 1.00 0.00 N ATOM 132 CA SER A 10 -1.269 -19.328 4.045 1.00 0.00 C ATOM 133 C SER A 10 -0.906 -18.434 2.859 1.00 0.00 C ATOM 134 O SER A 10 -1.359 -18.658 1.736 1.00 0.00 O ATOM 135 CB SER A 10 -0.698 -20.734 3.836 1.00 0.00 C ATOM 136 OG SER A 10 0.224 -21.067 4.861 1.00 0.00 O ATOM 0 H SER A 10 -3.038 -18.977 5.118 1.00 0.00 H new ATOM 0 HA SER A 10 -0.830 -18.896 4.944 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.510 -21.461 3.822 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.204 -20.789 2.866 1.00 0.00 H new ATOM 0 HG SER A 10 0.573 -21.970 4.706 1.00 0.00 H new ATOM 142 N HIS A 11 -0.083 -17.424 3.121 1.00 0.00 N ATOM 143 CA HIS A 11 0.350 -16.495 2.082 1.00 0.00 C ATOM 144 C HIS A 11 1.715 -15.900 2.425 1.00 0.00 C ATOM 145 O HIS A 11 2.518 -16.530 3.112 1.00 0.00 O ATOM 146 CB HIS A 11 -0.682 -15.380 1.903 1.00 0.00 C ATOM 147 CG HIS A 11 -0.846 -14.940 0.480 1.00 0.00 C ATOM 148 ND1 HIS A 11 -0.115 -15.511 -0.534 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.659 -13.990 -0.041 1.00 0.00 C ATOM 150 CE1 HIS A 11 -0.495 -14.899 -1.643 1.00 0.00 C ATOM 151 NE2 HIS A 11 -1.429 -13.969 -1.394 1.00 0.00 N ATOM 0 H HIS A 11 0.299 -17.227 4.046 1.00 0.00 H new ATOM 0 HA HIS A 11 0.439 -17.046 1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.645 -15.723 2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.388 -14.523 2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.354 -13.369 0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.103 -15.120 -2.625 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.881 -13.363 -2.078 1.00 0.00 H new ATOM 159 N ILE A 12 1.973 -14.684 1.946 1.00 0.00 N ATOM 160 CA ILE A 12 3.240 -14.015 2.212 1.00 0.00 C ATOM 161 C ILE A 12 3.368 -13.665 3.689 1.00 0.00 C ATOM 162 O ILE A 12 2.371 -13.393 4.359 1.00 0.00 O ATOM 163 CB ILE A 12 3.391 -12.727 1.374 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.702 -12.015 1.715 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.209 -11.799 1.604 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.484 -11.574 0.498 1.00 0.00 C ATOM 0 H ILE A 12 1.322 -14.146 1.374 1.00 0.00 H new ATOM 0 HA ILE A 12 4.031 -14.711 1.931 1.00 0.00 H new ATOM 0 HB ILE A 12 3.412 -13.005 0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.483 -11.143 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.323 -12.681 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.333 -10.897 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.288 -12.304 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.157 -11.530 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.401 -11.077 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.734 -12.444 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.881 -10.882 -0.091 1.00 0.00 H new ATOM 178 N SER A 13 4.601 -13.672 4.188 1.00 0.00 N ATOM 179 CA SER A 13 4.860 -13.351 5.584 1.00 0.00 C ATOM 180 C SER A 13 4.197 -12.033 5.966 1.00 0.00 C ATOM 181 O SER A 13 3.520 -11.945 6.990 1.00 0.00 O ATOM 182 CB SER A 13 6.366 -13.272 5.843 1.00 0.00 C ATOM 183 OG SER A 13 6.653 -13.384 7.226 1.00 0.00 O ATOM 0 H SER A 13 5.435 -13.897 3.645 1.00 0.00 H new ATOM 0 HA SER A 13 4.436 -14.145 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.874 -14.067 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.754 -12.327 5.463 1.00 0.00 H new ATOM 0 HG SER A 13 7.622 -13.332 7.364 1.00 0.00 H new ATOM 189 N LYS A 14 4.393 -11.013 5.132 1.00 0.00 N ATOM 190 CA LYS A 14 3.808 -9.701 5.389 1.00 0.00 C ATOM 191 C LYS A 14 4.076 -8.727 4.243 1.00 0.00 C ATOM 192 O LYS A 14 5.108 -8.802 3.575 1.00 0.00 O ATOM 193 CB LYS A 14 4.361 -9.124 6.694 1.00 0.00 C ATOM 194 CG LYS A 14 5.832 -8.748 6.621 1.00 0.00 C ATOM 195 CD LYS A 14 6.689 -9.685 7.456 1.00 0.00 C ATOM 196 CE LYS A 14 7.509 -8.920 8.483 1.00 0.00 C ATOM 197 NZ LYS A 14 7.469 -9.573 9.821 1.00 0.00 N ATOM 0 H LYS A 14 4.949 -11.070 4.279 1.00 0.00 H new ATOM 0 HA LYS A 14 2.729 -9.834 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.782 -8.241 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.221 -9.853 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.165 -8.777 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.965 -7.724 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.051 -10.409 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.355 -10.250 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.542 -8.850 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.130 -7.901 8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.040 -9.022 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.486 -9.617 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.854 -10.536 9.749 1.00 0.00 H new ATOM 211 N TYR A 15 3.147 -7.796 4.044 1.00 0.00 N ATOM 212 CA TYR A 15 3.272 -6.777 3.008 1.00 0.00 C ATOM 213 C TYR A 15 3.702 -5.457 3.645 1.00 0.00 C ATOM 214 O TYR A 15 3.189 -5.080 4.695 1.00 0.00 O ATOM 215 CB TYR A 15 1.937 -6.581 2.278 1.00 0.00 C ATOM 216 CG TYR A 15 1.796 -7.380 1.000 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.523 -7.047 -0.135 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.925 -8.461 0.924 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.387 -7.767 -1.308 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.784 -9.185 -0.244 1.00 0.00 C ATOM 221 CZ TYR A 15 1.517 -8.834 -1.357 1.00 0.00 C ATOM 222 OH TYR A 15 1.380 -9.553 -2.523 1.00 0.00 O ATOM 0 H TYR A 15 2.291 -7.727 4.594 1.00 0.00 H new ATOM 0 HA TYR A 15 4.020 -7.102 2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.125 -6.853 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.817 -5.523 2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.206 -6.211 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.348 -8.740 1.794 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.960 -7.494 -2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.103 -10.022 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 15 0.729 -10.273 -2.389 1.00 0.00 H new ATOM 232 N ILE A 16 4.645 -4.760 3.019 1.00 0.00 N ATOM 233 CA ILE A 16 5.125 -3.490 3.560 1.00 0.00 C ATOM 234 C ILE A 16 4.781 -2.323 2.643 1.00 0.00 C ATOM 235 O ILE A 16 5.171 -2.298 1.476 1.00 0.00 O ATOM 236 CB ILE A 16 6.651 -3.508 3.799 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.988 -4.343 5.039 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.193 -2.090 3.946 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.410 -3.787 6.325 1.00 0.00 C ATOM 0 H ILE A 16 5.089 -5.047 2.147 1.00 0.00 H new ATOM 0 HA ILE A 16 4.618 -3.356 4.516 1.00 0.00 H new ATOM 0 HB ILE A 16 7.127 -3.966 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.618 -5.358 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.071 -4.410 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.269 -2.127 4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.987 -1.526 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.711 -1.602 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.691 -4.431 7.158 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.800 -2.783 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.324 -3.746 6.248 1.00 0.00 H new ATOM 251 N LEU A 17 4.067 -1.348 3.192 1.00 0.00 N ATOM 252 CA LEU A 17 3.685 -0.163 2.438 1.00 0.00 C ATOM 253 C LEU A 17 4.485 1.040 2.923 1.00 0.00 C ATOM 254 O LEU A 17 4.342 1.469 4.068 1.00 0.00 O ATOM 255 CB LEU A 17 2.187 0.107 2.598 1.00 0.00 C ATOM 256 CG LEU A 17 1.468 0.570 1.329 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.175 -0.207 1.138 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.187 2.064 1.390 1.00 0.00 C ATOM 0 H LEU A 17 3.741 -1.356 4.158 1.00 0.00 H new ATOM 0 HA LEU A 17 3.900 -0.333 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.707 -0.803 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.051 0.865 3.370 1.00 0.00 H new ATOM 0 HG LEU A 17 2.117 0.377 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.324 0.134 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.399 -1.270 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.478 -0.043 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.675 2.375 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.557 2.281 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.127 2.608 1.482 1.00 0.00 H new ATOM 270 N ARG A 18 5.328 1.578 2.052 1.00 0.00 N ATOM 271 CA ARG A 18 6.146 2.729 2.407 1.00 0.00 C ATOM 272 C ARG A 18 5.794 3.928 1.544 1.00 0.00 C ATOM 273 O ARG A 18 5.769 3.830 0.321 1.00 0.00 O ATOM 274 CB ARG A 18 7.631 2.395 2.248 1.00 0.00 C ATOM 275 CG ARG A 18 8.109 1.288 3.173 1.00 0.00 C ATOM 276 CD ARG A 18 9.159 0.416 2.504 1.00 0.00 C ATOM 277 NE ARG A 18 10.306 0.172 3.377 1.00 0.00 N ATOM 278 CZ ARG A 18 11.349 -0.576 3.033 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.393 -1.149 1.836 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.351 -0.752 3.884 1.00 0.00 N ATOM 0 H ARG A 18 5.463 1.238 1.100 1.00 0.00 H new ATOM 0 HA ARG A 18 5.945 2.978 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.820 2.101 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.219 3.293 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.523 1.725 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.261 0.672 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.711 -0.536 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.498 0.896 1.586 1.00 0.00 H new ATOM 0 HE ARG A 18 10.306 0.600 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.625 -1.015 1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.195 -1.723 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.322 -0.313 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.151 -1.327 3.618 1.00 0.00 H new ATOM 294 N TRP A 19 5.533 5.063 2.179 1.00 0.00 N ATOM 295 CA TRP A 19 5.191 6.272 1.440 1.00 0.00 C ATOM 296 C TRP A 19 5.629 7.528 2.186 1.00 0.00 C ATOM 297 O TRP A 19 5.742 7.534 3.413 1.00 0.00 O ATOM 298 CB TRP A 19 3.687 6.318 1.144 1.00 0.00 C ATOM 299 CG TRP A 19 2.851 6.798 2.292 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.404 8.072 2.504 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.354 6.011 3.380 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.664 8.123 3.661 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.619 6.871 4.217 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.462 4.661 3.728 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.994 6.424 5.379 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.841 4.220 4.882 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.115 5.099 5.694 1.00 0.00 C ATOM 0 H TRP A 19 5.551 5.172 3.193 1.00 0.00 H new ATOM 0 HA TRP A 19 5.732 6.244 0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.516 6.969 0.287 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.353 5.321 0.858 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.603 8.914 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.220 8.958 4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.020 3.976 3.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.434 7.100 6.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.917 3.180 5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.640 4.723 6.588 1.00 0.00 H new ATOM 318 N ARG A 20 5.877 8.590 1.425 1.00 0.00 N ATOM 319 CA ARG A 20 6.306 9.866 1.985 1.00 0.00 C ATOM 320 C ARG A 20 6.009 11.002 1.008 1.00 0.00 C ATOM 321 O ARG A 20 5.850 10.766 -0.190 1.00 0.00 O ATOM 322 CB ARG A 20 7.805 9.825 2.308 1.00 0.00 C ATOM 323 CG ARG A 20 8.700 9.948 1.084 1.00 0.00 C ATOM 324 CD ARG A 20 9.686 11.096 1.229 1.00 0.00 C ATOM 325 NE ARG A 20 10.967 10.802 0.590 1.00 0.00 N ATOM 326 CZ ARG A 20 12.137 10.853 1.221 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.189 11.190 2.503 1.00 0.00 N ATOM 328 NH2 ARG A 20 13.257 10.568 0.571 1.00 0.00 N ATOM 0 H ARG A 20 5.787 8.590 0.409 1.00 0.00 H new ATOM 0 HA ARG A 20 5.752 10.045 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.040 10.633 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.032 8.890 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.245 9.016 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.086 10.104 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.260 11.998 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.848 11.303 2.287 1.00 0.00 H new ATOM 0 HE ARG A 20 10.964 10.543 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.330 11.411 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.088 11.228 2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.223 10.309 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.153 10.608 1.057 1.00 0.00 H new ATOM 342 N PRO A 21 5.931 12.253 1.498 1.00 0.00 N ATOM 343 CA PRO A 21 5.655 13.409 0.641 1.00 0.00 C ATOM 344 C PRO A 21 6.712 13.572 -0.445 1.00 0.00 C ATOM 345 O PRO A 21 7.878 13.840 -0.157 1.00 0.00 O ATOM 346 CB PRO A 21 5.678 14.602 1.607 1.00 0.00 C ATOM 347 CG PRO A 21 5.499 14.011 2.965 1.00 0.00 C ATOM 348 CD PRO A 21 6.110 12.640 2.907 1.00 0.00 C ATOM 0 HA PRO A 21 4.708 13.309 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.619 15.148 1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.881 15.310 1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.987 14.623 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.443 13.956 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.163 12.656 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.609 11.947 3.582 1.00 0.00 H new ATOM 356 N LYS A 22 6.300 13.394 -1.695 1.00 0.00 N ATOM 357 CA LYS A 22 7.212 13.512 -2.826 1.00 0.00 C ATOM 358 C LYS A 22 7.762 14.930 -2.939 1.00 0.00 C ATOM 359 O LYS A 22 8.895 15.134 -3.377 1.00 0.00 O ATOM 360 CB LYS A 22 6.501 13.123 -4.121 1.00 0.00 C ATOM 361 CG LYS A 22 7.322 12.212 -5.018 1.00 0.00 C ATOM 362 CD LYS A 22 7.295 12.684 -6.462 1.00 0.00 C ATOM 363 CE LYS A 22 6.759 11.607 -7.389 1.00 0.00 C ATOM 364 NZ LYS A 22 7.854 10.796 -7.989 1.00 0.00 N ATOM 0 H LYS A 22 5.339 13.167 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 22 8.048 12.832 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.563 12.626 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.247 14.029 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.352 12.182 -4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.934 11.195 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.675 13.577 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.301 12.966 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.085 10.954 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.173 12.070 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.447 10.072 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.483 11.415 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.398 10.333 -7.233 1.00 0.00 H new ATOM 378 N ASN A 23 6.950 15.906 -2.547 1.00 0.00 N ATOM 379 CA ASN A 23 7.352 17.307 -2.608 1.00 0.00 C ATOM 380 C ASN A 23 7.814 17.807 -1.242 1.00 0.00 C ATOM 381 O ASN A 23 8.764 18.585 -1.143 1.00 0.00 O ATOM 382 CB ASN A 23 6.190 18.166 -3.112 1.00 0.00 C ATOM 383 CG ASN A 23 6.652 19.292 -4.015 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.549 19.206 -5.238 1.00 0.00 O ATOM 385 ND2 ASN A 23 7.167 20.358 -3.413 1.00 0.00 N ATOM 0 H ASN A 23 6.009 15.753 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 23 8.188 17.389 -3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.484 17.536 -3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.655 18.584 -2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.496 21.148 -3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.233 20.387 -2.396 1.00 0.00 H new ATOM 392 N SER A 24 7.132 17.359 -0.193 1.00 0.00 N ATOM 393 CA SER A 24 7.462 17.762 1.171 1.00 0.00 C ATOM 394 C SER A 24 8.434 16.779 1.815 1.00 0.00 C ATOM 395 O SER A 24 8.702 15.709 1.270 1.00 0.00 O ATOM 396 CB SER A 24 6.185 17.861 2.008 1.00 0.00 C ATOM 397 OG SER A 24 6.410 17.455 3.347 1.00 0.00 O ATOM 0 H SER A 24 6.344 16.714 -0.261 1.00 0.00 H new ATOM 0 HA SER A 24 7.945 18.738 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.818 18.887 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.408 17.239 1.564 1.00 0.00 H new ATOM 0 HG SER A 24 5.576 17.531 3.856 1.00 0.00 H new ATOM 403 N VAL A 25 8.957 17.146 2.980 1.00 0.00 N ATOM 404 CA VAL A 25 9.894 16.293 3.700 1.00 0.00 C ATOM 405 C VAL A 25 9.325 15.885 5.057 1.00 0.00 C ATOM 406 O VAL A 25 8.752 16.708 5.772 1.00 0.00 O ATOM 407 CB VAL A 25 11.255 16.993 3.902 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.108 18.221 4.790 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.274 16.024 4.482 1.00 0.00 C ATOM 0 H VAL A 25 8.747 18.029 3.446 1.00 0.00 H new ATOM 0 HA VAL A 25 10.049 15.401 3.093 1.00 0.00 H new ATOM 0 HB VAL A 25 11.615 17.325 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.081 18.697 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.418 18.925 4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.720 17.922 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.227 16.536 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.920 15.657 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.407 15.184 3.800 1.00 0.00 H new ATOM 419 N GLY A 26 9.479 14.610 5.407 1.00 0.00 N ATOM 420 CA GLY A 26 8.966 14.129 6.677 1.00 0.00 C ATOM 421 C GLY A 26 9.104 12.626 6.841 1.00 0.00 C ATOM 422 O GLY A 26 8.262 11.987 7.475 1.00 0.00 O ATOM 0 H GLY A 26 9.947 13.906 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.495 14.628 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.915 14.404 6.766 1.00 0.00 H new ATOM 426 N ARG A 27 10.170 12.063 6.276 1.00 0.00 N ATOM 427 CA ARG A 27 10.426 10.625 6.366 1.00 0.00 C ATOM 428 C ARG A 27 9.308 9.815 5.713 1.00 0.00 C ATOM 429 O ARG A 27 8.289 10.363 5.293 1.00 0.00 O ATOM 430 CB ARG A 27 10.589 10.205 7.829 1.00 0.00 C ATOM 431 CG ARG A 27 11.950 10.547 8.413 1.00 0.00 C ATOM 432 CD ARG A 27 12.487 9.414 9.271 1.00 0.00 C ATOM 433 NE ARG A 27 13.611 8.733 8.635 1.00 0.00 N ATOM 434 CZ ARG A 27 14.683 8.303 9.293 1.00 0.00 C ATOM 435 NH1 ARG A 27 14.777 8.476 10.605 1.00 0.00 N ATOM 436 NH2 ARG A 27 15.664 7.698 8.636 1.00 0.00 N ATOM 0 H ARG A 27 10.873 12.582 5.749 1.00 0.00 H new ATOM 0 HA ARG A 27 11.351 10.419 5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.815 10.689 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.428 9.130 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.651 10.758 7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.873 11.454 9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.802 9.808 10.237 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.690 8.696 9.464 1.00 0.00 H new ATOM 0 HE ARG A 27 13.571 8.578 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.025 8.941 11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.602 8.144 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.595 7.563 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.487 7.368 9.140 1.00 0.00 H new ATOM 450 N TRP A 28 9.513 8.503 5.632 1.00 0.00 N ATOM 451 CA TRP A 28 8.532 7.605 5.030 1.00 0.00 C ATOM 452 C TRP A 28 7.547 7.091 6.079 1.00 0.00 C ATOM 453 O TRP A 28 7.545 7.549 7.222 1.00 0.00 O ATOM 454 CB TRP A 28 9.239 6.422 4.360 1.00 0.00 C ATOM 455 CG TRP A 28 10.051 6.811 3.160 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.274 7.416 3.160 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.698 6.615 1.786 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.704 7.611 1.869 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.753 7.127 1.007 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.593 6.056 1.137 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.735 7.097 -0.386 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.576 6.027 -0.245 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.640 6.546 -0.994 1.00 0.00 C ATOM 0 H TRP A 28 10.352 8.037 5.977 1.00 0.00 H new ATOM 0 HA TRP A 28 7.977 8.166 4.278 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.890 5.939 5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.493 5.685 4.061 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.824 7.700 4.045 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.586 8.045 1.597 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.767 5.654 1.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.556 7.494 -0.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.728 5.597 -0.756 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.595 6.511 -2.072 1.00 0.00 H new ATOM 474 N LYS A 29 6.716 6.129 5.682 1.00 0.00 N ATOM 475 CA LYS A 29 5.730 5.535 6.579 1.00 0.00 C ATOM 476 C LYS A 29 5.617 4.044 6.295 1.00 0.00 C ATOM 477 O LYS A 29 5.757 3.622 5.151 1.00 0.00 O ATOM 478 CB LYS A 29 4.368 6.209 6.405 1.00 0.00 C ATOM 479 CG LYS A 29 4.337 7.652 6.879 1.00 0.00 C ATOM 480 CD LYS A 29 3.453 7.816 8.103 1.00 0.00 C ATOM 481 CE LYS A 29 4.250 7.681 9.390 1.00 0.00 C ATOM 482 NZ LYS A 29 3.986 8.806 10.326 1.00 0.00 N ATOM 0 H LYS A 29 6.707 5.743 4.738 1.00 0.00 H new ATOM 0 HA LYS A 29 6.055 5.683 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.087 6.175 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.618 5.639 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.349 7.981 7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.971 8.292 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.969 8.792 8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.661 7.067 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.999 6.738 9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.314 7.645 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.548 8.677 11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.250 9.704 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.975 8.825 10.570 1.00 0.00 H new ATOM 496 N GLU A 30 5.382 3.248 7.335 1.00 0.00 N ATOM 497 CA GLU A 30 5.278 1.801 7.166 1.00 0.00 C ATOM 498 C GLU A 30 3.921 1.266 7.613 1.00 0.00 C ATOM 499 O GLU A 30 3.427 1.597 8.692 1.00 0.00 O ATOM 500 CB GLU A 30 6.390 1.098 7.944 1.00 0.00 C ATOM 501 CG GLU A 30 7.777 1.331 7.366 1.00 0.00 C ATOM 502 CD GLU A 30 8.756 1.853 8.399 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.809 3.085 8.597 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.470 1.029 9.010 1.00 0.00 O ATOM 0 H GLU A 30 5.261 3.575 8.293 1.00 0.00 H new ATOM 0 HA GLU A 30 5.383 1.592 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.373 1.443 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.188 0.027 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.156 0.397 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.709 2.042 6.542 1.00 0.00 H new ATOM 511 N ALA A 31 3.336 0.419 6.771 1.00 0.00 N ATOM 512 CA ALA A 31 2.046 -0.198 7.054 1.00 0.00 C ATOM 513 C ALA A 31 2.048 -1.649 6.584 1.00 0.00 C ATOM 514 O ALA A 31 2.116 -1.916 5.384 1.00 0.00 O ATOM 515 CB ALA A 31 0.927 0.579 6.379 1.00 0.00 C ATOM 0 H ALA A 31 3.742 0.142 5.877 1.00 0.00 H new ATOM 0 HA ALA A 31 1.875 -0.179 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.030 0.105 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.919 1.603 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.088 0.586 5.301 1.00 0.00 H new ATOM 521 N THR A 32 1.995 -2.583 7.528 1.00 0.00 N ATOM 522 CA THR A 32 2.015 -4.000 7.188 1.00 0.00 C ATOM 523 C THR A 32 0.619 -4.563 6.957 1.00 0.00 C ATOM 524 O THR A 32 -0.313 -4.293 7.715 1.00 0.00 O ATOM 525 CB THR A 32 2.705 -4.843 8.280 1.00 0.00 C ATOM 526 OG1 THR A 32 4.101 -4.522 8.337 1.00 0.00 O ATOM 527 CG2 THR A 32 2.534 -6.335 8.003 1.00 0.00 C ATOM 0 H THR A 32 1.938 -2.386 8.527 1.00 0.00 H new ATOM 0 HA THR A 32 2.583 -4.066 6.260 1.00 0.00 H new ATOM 0 HB THR A 32 2.238 -4.610 9.237 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.532 -5.060 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.029 -6.909 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.473 -6.583 7.987 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.978 -6.579 7.038 1.00 0.00 H new ATOM 535 N ILE A 33 0.504 -5.383 5.918 1.00 0.00 N ATOM 536 CA ILE A 33 -0.749 -6.038 5.584 1.00 0.00 C ATOM 537 C ILE A 33 -0.492 -7.518 5.321 1.00 0.00 C ATOM 538 O ILE A 33 0.074 -7.883 4.290 1.00 0.00 O ATOM 539 CB ILE A 33 -1.418 -5.414 4.342 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.095 -3.921 4.244 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.923 -5.632 4.390 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.564 -3.508 2.890 1.00 0.00 C ATOM 0 H ILE A 33 1.274 -5.610 5.289 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.424 -5.908 6.430 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.022 -5.906 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.995 -3.347 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.360 -3.665 5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.383 -5.187 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.135 -6.701 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.330 -5.164 5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.356 -2.438 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.354 -4.055 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.306 -3.732 2.124 1.00 0.00 H new ATOM 554 N PRO A 34 -0.887 -8.395 6.258 1.00 0.00 N ATOM 555 CA PRO A 34 -0.676 -9.840 6.121 1.00 0.00 C ATOM 556 C PRO A 34 -1.384 -10.417 4.900 1.00 0.00 C ATOM 557 O PRO A 34 -2.589 -10.663 4.927 1.00 0.00 O ATOM 558 CB PRO A 34 -1.271 -10.417 7.410 1.00 0.00 C ATOM 559 CG PRO A 34 -1.321 -9.275 8.364 1.00 0.00 C ATOM 560 CD PRO A 34 -1.551 -8.053 7.526 1.00 0.00 C ATOM 0 HA PRO A 34 0.377 -10.083 5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.266 -10.827 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.655 -11.228 7.799 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.122 -9.407 9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.391 -9.194 8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.613 -7.854 7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.118 -7.163 7.982 1.00 0.00 H new ATOM 568 N GLY A 35 -0.623 -10.632 3.828 1.00 0.00 N ATOM 569 CA GLY A 35 -1.191 -11.179 2.610 1.00 0.00 C ATOM 570 C GLY A 35 -2.235 -10.268 1.998 1.00 0.00 C ATOM 571 O GLY A 35 -1.914 -9.405 1.182 1.00 0.00 O ATOM 0 H GLY A 35 0.377 -10.436 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.394 -11.351 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.640 -12.148 2.826 1.00 0.00 H new ATOM 575 N HIS A 36 -3.489 -10.458 2.396 1.00 0.00 N ATOM 576 CA HIS A 36 -4.588 -9.648 1.883 1.00 0.00 C ATOM 577 C HIS A 36 -5.902 -10.031 2.557 1.00 0.00 C ATOM 578 O HIS A 36 -6.714 -10.762 1.988 1.00 0.00 O ATOM 579 CB HIS A 36 -4.709 -9.814 0.366 1.00 0.00 C ATOM 580 CG HIS A 36 -5.245 -8.602 -0.334 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.652 -8.657 -1.644 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.416 -7.338 0.128 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.057 -7.439 -1.950 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.933 -6.603 -0.908 1.00 0.00 N ATOM 0 H HIS A 36 -3.770 -11.167 3.073 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.375 -8.603 2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.728 -10.054 -0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.360 -10.662 0.153 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.189 -6.979 1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.440 -7.151 -2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.176 -5.613 -0.890 1.00 0.00 H new ATOM 592 N LEU A 37 -6.103 -9.531 3.772 1.00 0.00 N ATOM 593 CA LEU A 37 -7.317 -9.820 4.526 1.00 0.00 C ATOM 594 C LEU A 37 -8.511 -9.075 3.938 1.00 0.00 C ATOM 595 O LEU A 37 -9.638 -9.570 3.964 1.00 0.00 O ATOM 596 CB LEU A 37 -7.134 -9.434 5.994 1.00 0.00 C ATOM 597 CG LEU A 37 -6.744 -7.975 6.237 1.00 0.00 C ATOM 598 CD1 LEU A 37 -7.519 -7.404 7.413 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.247 -7.858 6.474 1.00 0.00 C ATOM 0 H LEU A 37 -5.441 -8.924 4.255 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.510 -10.891 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.063 -9.639 6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.369 -10.076 6.430 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.997 -7.397 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.228 -6.365 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.587 -7.454 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.298 -7.983 8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.986 -6.814 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.970 -8.449 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.710 -8.227 5.600 1.00 0.00 H new ATOM 611 N ASN A 38 -8.251 -7.884 3.407 1.00 0.00 N ATOM 612 CA ASN A 38 -9.301 -7.065 2.809 1.00 0.00 C ATOM 613 C ASN A 38 -8.708 -5.831 2.135 1.00 0.00 C ATOM 614 O ASN A 38 -7.500 -5.756 1.910 1.00 0.00 O ATOM 615 CB ASN A 38 -10.322 -6.646 3.871 1.00 0.00 C ATOM 616 CG ASN A 38 -9.854 -5.463 4.697 1.00 0.00 C ATOM 617 OD1 ASN A 38 -10.614 -4.530 4.953 1.00 0.00 O ATOM 618 ND2 ASN A 38 -8.595 -5.496 5.119 1.00 0.00 N ATOM 0 H ASN A 38 -7.322 -7.464 3.378 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.807 -7.663 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.264 -6.394 3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.520 -7.490 4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.224 -4.728 5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.999 -6.290 4.884 1.00 0.00 H new ATOM 625 N SER A 39 -9.565 -4.867 1.814 1.00 0.00 N ATOM 626 CA SER A 39 -9.127 -3.636 1.164 1.00 0.00 C ATOM 627 C SER A 39 -8.489 -2.682 2.169 1.00 0.00 C ATOM 628 O SER A 39 -9.139 -2.232 3.113 1.00 0.00 O ATOM 629 CB SER A 39 -10.308 -2.952 0.473 1.00 0.00 C ATOM 630 OG SER A 39 -10.117 -2.898 -0.930 1.00 0.00 O ATOM 0 H SER A 39 -10.568 -4.914 1.993 1.00 0.00 H new ATOM 0 HA SER A 39 -8.378 -3.898 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.227 -3.493 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.428 -1.942 0.866 1.00 0.00 H new ATOM 0 HG SER A 39 -10.886 -2.458 -1.348 1.00 0.00 H new ATOM 636 N TYR A 40 -7.213 -2.373 1.954 1.00 0.00 N ATOM 637 CA TYR A 40 -6.483 -1.467 2.835 1.00 0.00 C ATOM 638 C TYR A 40 -6.334 -0.095 2.188 1.00 0.00 C ATOM 639 O TYR A 40 -5.643 0.054 1.180 1.00 0.00 O ATOM 640 CB TYR A 40 -5.104 -2.043 3.164 1.00 0.00 C ATOM 641 CG TYR A 40 -4.558 -1.592 4.501 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.111 -0.290 4.689 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.486 -2.470 5.574 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.610 0.124 5.908 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.986 -2.065 6.797 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.550 -0.767 6.959 1.00 0.00 C ATOM 647 OH TYR A 40 -3.051 -0.357 8.175 1.00 0.00 O ATOM 0 H TYR A 40 -6.663 -2.737 1.176 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.050 -1.357 3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.163 -3.131 3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.404 -1.755 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.156 0.410 3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.827 -3.487 5.451 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.267 1.140 6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.937 -2.761 7.621 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.079 -1.104 8.809 1.00 0.00 H new ATOM 657 N THR A 41 -6.986 0.906 2.772 1.00 0.00 N ATOM 658 CA THR A 41 -6.926 2.264 2.247 1.00 0.00 C ATOM 659 C THR A 41 -6.386 3.238 3.290 1.00 0.00 C ATOM 660 O THR A 41 -6.806 3.221 4.448 1.00 0.00 O ATOM 661 CB THR A 41 -8.312 2.748 1.780 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.250 4.132 1.412 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.353 2.557 2.873 1.00 0.00 C ATOM 0 H THR A 41 -7.561 0.801 3.608 1.00 0.00 H new ATOM 0 HA THR A 41 -6.249 2.240 1.393 1.00 0.00 H new ATOM 0 HB THR A 41 -8.605 2.153 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.135 4.431 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.322 2.907 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.421 1.500 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.063 3.127 3.755 1.00 0.00 H new ATOM 671 N ILE A 42 -5.458 4.090 2.867 1.00 0.00 N ATOM 672 CA ILE A 42 -4.863 5.078 3.759 1.00 0.00 C ATOM 673 C ILE A 42 -5.539 6.435 3.588 1.00 0.00 C ATOM 674 O ILE A 42 -5.482 7.038 2.516 1.00 0.00 O ATOM 675 CB ILE A 42 -3.349 5.225 3.502 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.622 3.932 3.876 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.784 6.401 4.287 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.535 3.546 2.897 1.00 0.00 C ATOM 0 H ILE A 42 -5.102 4.116 1.912 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.012 4.726 4.780 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.194 5.418 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.184 4.045 4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.348 3.121 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.715 6.488 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.285 7.319 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.947 6.239 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.062 2.620 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.971 3.401 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.788 4.339 2.852 1.00 0.00 H new ATOM 690 N LYS A 43 -6.183 6.908 4.652 1.00 0.00 N ATOM 691 CA LYS A 43 -6.873 8.192 4.620 1.00 0.00 C ATOM 692 C LYS A 43 -6.320 9.134 5.685 1.00 0.00 C ATOM 693 O LYS A 43 -6.128 8.740 6.836 1.00 0.00 O ATOM 694 CB LYS A 43 -8.376 7.994 4.831 1.00 0.00 C ATOM 695 CG LYS A 43 -9.086 7.385 3.634 1.00 0.00 C ATOM 696 CD LYS A 43 -10.432 8.047 3.387 1.00 0.00 C ATOM 697 CE LYS A 43 -10.866 7.906 1.936 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.061 9.231 1.284 1.00 0.00 N ATOM 0 H LYS A 43 -6.241 6.421 5.546 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.706 8.640 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.531 7.353 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.832 8.957 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.460 7.489 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.230 6.317 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.183 7.599 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.372 9.103 3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.116 7.338 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.795 7.338 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.356 9.092 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.795 9.764 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.168 9.764 1.306 1.00 0.00 H new ATOM 712 N GLY A 44 -6.066 10.379 5.294 1.00 0.00 N ATOM 713 CA GLY A 44 -5.537 11.356 6.228 1.00 0.00 C ATOM 714 C GLY A 44 -4.355 12.118 5.663 1.00 0.00 C ATOM 715 O GLY A 44 -3.509 12.608 6.411 1.00 0.00 O ATOM 0 H GLY A 44 -6.217 10.728 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.324 12.060 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.235 10.851 7.145 1.00 0.00 H new ATOM 719 N LEU A 45 -4.296 12.216 4.339 1.00 0.00 N ATOM 720 CA LEU A 45 -3.210 12.922 3.670 1.00 0.00 C ATOM 721 C LEU A 45 -3.653 14.310 3.226 1.00 0.00 C ATOM 722 O LEU A 45 -4.822 14.675 3.364 1.00 0.00 O ATOM 723 CB LEU A 45 -2.717 12.117 2.465 1.00 0.00 C ATOM 724 CG LEU A 45 -2.527 10.624 2.725 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.989 9.811 1.527 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.072 10.322 3.050 1.00 0.00 C ATOM 0 H LEU A 45 -4.989 11.815 3.707 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.392 13.035 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.427 12.241 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.769 12.536 2.129 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.136 10.343 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.846 8.750 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.045 10.006 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.408 10.094 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.954 9.254 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.443 10.618 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.775 10.877 3.940 1.00 0.00 H new ATOM 738 N LYS A 46 -2.711 15.083 2.695 1.00 0.00 N ATOM 739 CA LYS A 46 -3.000 16.431 2.230 1.00 0.00 C ATOM 740 C LYS A 46 -3.219 16.451 0.718 1.00 0.00 C ATOM 741 O LYS A 46 -2.362 16.002 -0.044 1.00 0.00 O ATOM 742 CB LYS A 46 -1.857 17.377 2.604 1.00 0.00 C ATOM 743 CG LYS A 46 -2.082 18.117 3.911 1.00 0.00 C ATOM 744 CD LYS A 46 -1.162 19.322 4.035 1.00 0.00 C ATOM 745 CE LYS A 46 0.245 18.912 4.441 1.00 0.00 C ATOM 746 NZ LYS A 46 0.990 20.035 5.074 1.00 0.00 N ATOM 0 H LYS A 46 -1.739 14.796 2.577 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.916 16.768 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.932 16.805 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.722 18.104 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.120 18.443 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.911 17.440 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.127 19.853 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.567 20.015 4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.193 18.074 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.789 18.564 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.944 19.715 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.063 20.826 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.484 20.350 5.926 1.00 0.00 H new ATOM 760 N PRO A 47 -4.372 16.971 0.259 1.00 0.00 N ATOM 761 CA PRO A 47 -4.697 17.044 -1.169 1.00 0.00 C ATOM 762 C PRO A 47 -3.819 18.046 -1.914 1.00 0.00 C ATOM 763 O PRO A 47 -4.018 18.294 -3.104 1.00 0.00 O ATOM 764 CB PRO A 47 -6.163 17.502 -1.197 1.00 0.00 C ATOM 765 CG PRO A 47 -6.656 17.358 0.205 1.00 0.00 C ATOM 766 CD PRO A 47 -5.453 17.525 1.086 1.00 0.00 C ATOM 0 HA PRO A 47 -4.530 16.087 -1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.245 18.534 -1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.751 16.893 -1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.413 18.109 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.119 16.383 0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.276 18.571 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.561 16.985 2.027 1.00 0.00 H new ATOM 774 N GLY A 48 -2.848 18.621 -1.209 1.00 0.00 N ATOM 775 CA GLY A 48 -1.958 19.590 -1.822 1.00 0.00 C ATOM 776 C GLY A 48 -0.613 18.995 -2.193 1.00 0.00 C ATOM 777 O GLY A 48 0.019 19.431 -3.155 1.00 0.00 O ATOM 0 H GLY A 48 -2.662 18.433 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.430 19.996 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.806 20.423 -1.135 1.00 0.00 H new ATOM 781 N VAL A 49 -0.173 17.999 -1.430 1.00 0.00 N ATOM 782 CA VAL A 49 1.107 17.348 -1.689 1.00 0.00 C ATOM 783 C VAL A 49 0.920 15.861 -1.976 1.00 0.00 C ATOM 784 O VAL A 49 0.184 15.171 -1.271 1.00 0.00 O ATOM 785 CB VAL A 49 2.078 17.525 -0.502 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.485 16.948 0.773 1.00 0.00 C ATOM 787 CG2 VAL A 49 3.426 16.887 -0.809 1.00 0.00 C ATOM 0 H VAL A 49 -0.683 17.626 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 49 1.537 17.828 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 49 2.234 18.593 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.187 17.085 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.551 17.461 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.290 15.884 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.095 17.023 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.290 15.822 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.859 17.358 -1.691 1.00 0.00 H new ATOM 797 N VAL A 50 1.589 15.377 -3.018 1.00 0.00 N ATOM 798 CA VAL A 50 1.496 13.974 -3.408 1.00 0.00 C ATOM 799 C VAL A 50 2.351 13.088 -2.508 1.00 0.00 C ATOM 800 O VAL A 50 3.410 13.502 -2.035 1.00 0.00 O ATOM 801 CB VAL A 50 1.934 13.766 -4.871 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.826 12.298 -5.260 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.105 14.634 -5.805 1.00 0.00 C ATOM 0 H VAL A 50 2.203 15.937 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 50 0.449 13.691 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 50 2.978 14.066 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.140 12.172 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.468 11.702 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.793 11.968 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.428 14.474 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.052 14.368 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.239 15.683 -5.542 1.00 0.00 H new ATOM 813 N TYR A 51 1.882 11.864 -2.281 1.00 0.00 N ATOM 814 CA TYR A 51 2.599 10.910 -1.445 1.00 0.00 C ATOM 815 C TYR A 51 2.989 9.672 -2.249 1.00 0.00 C ATOM 816 O TYR A 51 2.139 8.848 -2.586 1.00 0.00 O ATOM 817 CB TYR A 51 1.734 10.497 -0.254 1.00 0.00 C ATOM 818 CG TYR A 51 1.581 11.579 0.791 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.612 12.565 0.658 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.402 11.611 1.910 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.468 13.555 1.611 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.264 12.596 2.868 1.00 0.00 C ATOM 823 CZ TYR A 51 1.295 13.566 2.714 1.00 0.00 C ATOM 824 OH TYR A 51 1.152 14.549 3.665 1.00 0.00 O ATOM 0 H TYR A 51 1.006 11.510 -2.666 1.00 0.00 H new ATOM 0 HA TYR A 51 3.507 11.392 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.746 10.211 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.171 9.614 0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.039 12.558 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.161 10.853 2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.289 14.316 1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.911 12.607 3.733 1.00 0.00 H new ATOM 0 HH TYR A 51 1.811 14.413 4.378 1.00 0.00 H new ATOM 834 N GLU A 52 4.278 9.541 -2.547 1.00 0.00 N ATOM 835 CA GLU A 52 4.768 8.397 -3.305 1.00 0.00 C ATOM 836 C GLU A 52 4.914 7.182 -2.397 1.00 0.00 C ATOM 837 O GLU A 52 5.504 7.271 -1.323 1.00 0.00 O ATOM 838 CB GLU A 52 6.113 8.724 -3.960 1.00 0.00 C ATOM 839 CG GLU A 52 7.181 9.168 -2.973 1.00 0.00 C ATOM 840 CD GLU A 52 8.566 9.214 -3.591 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.660 9.332 -4.832 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.556 9.133 -2.835 1.00 0.00 O ATOM 0 H GLU A 52 4.999 10.210 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 52 4.044 8.168 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.469 7.845 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.965 9.510 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.926 10.155 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.190 8.487 -2.122 1.00 0.00 H new ATOM 849 N GLY A 53 4.366 6.052 -2.831 1.00 0.00 N ATOM 850 CA GLY A 53 4.444 4.846 -2.033 1.00 0.00 C ATOM 851 C GLY A 53 4.866 3.630 -2.830 1.00 0.00 C ATOM 852 O GLY A 53 4.651 3.560 -4.039 1.00 0.00 O ATOM 0 H GLY A 53 3.872 5.951 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.151 5.002 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.472 4.655 -1.579 1.00 0.00 H new ATOM 856 N GLN A 54 5.464 2.669 -2.140 1.00 0.00 N ATOM 857 CA GLN A 54 5.921 1.435 -2.766 1.00 0.00 C ATOM 858 C GLN A 54 5.500 0.229 -1.933 1.00 0.00 C ATOM 859 O GLN A 54 5.662 0.222 -0.713 1.00 0.00 O ATOM 860 CB GLN A 54 7.444 1.445 -2.937 1.00 0.00 C ATOM 861 CG GLN A 54 8.064 2.830 -2.844 1.00 0.00 C ATOM 862 CD GLN A 54 9.552 2.828 -3.140 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.329 3.518 -2.480 1.00 0.00 O ATOM 864 NE2 GLN A 54 9.956 2.051 -4.137 1.00 0.00 N ATOM 0 H GLN A 54 5.645 2.721 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 54 5.460 1.364 -3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.890 0.806 -2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.694 1.010 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.560 3.497 -3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.897 3.232 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.277 1.495 -4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.945 2.009 -4.382 1.00 0.00 H new ATOM 873 N LEU A 55 4.966 -0.790 -2.596 1.00 0.00 N ATOM 874 CA LEU A 55 4.533 -1.999 -1.910 1.00 0.00 C ATOM 875 C LEU A 55 5.581 -3.095 -2.055 1.00 0.00 C ATOM 876 O LEU A 55 5.742 -3.678 -3.128 1.00 0.00 O ATOM 877 CB LEU A 55 3.187 -2.478 -2.469 1.00 0.00 C ATOM 878 CG LEU A 55 2.303 -3.308 -1.518 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.999 -3.592 -0.192 1.00 0.00 C ATOM 880 CD2 LEU A 55 0.981 -2.596 -1.275 1.00 0.00 C ATOM 0 H LEU A 55 4.823 -0.802 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 55 4.410 -1.770 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.619 -1.604 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.381 -3.073 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 55 2.115 -4.267 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.339 -4.179 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.917 -4.150 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.239 -2.650 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.365 -3.192 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.170 -1.621 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.459 -2.464 -2.223 1.00 0.00 H new ATOM 892 N ILE A 56 6.290 -3.368 -0.967 1.00 0.00 N ATOM 893 CA ILE A 56 7.324 -4.391 -0.966 1.00 0.00 C ATOM 894 C ILE A 56 6.851 -5.638 -0.230 1.00 0.00 C ATOM 895 O ILE A 56 6.607 -5.606 0.976 1.00 0.00 O ATOM 896 CB ILE A 56 8.620 -3.873 -0.308 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.164 -2.669 -1.082 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.661 -4.981 -0.237 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.676 -1.335 -0.557 1.00 0.00 C ATOM 0 H ILE A 56 6.166 -2.893 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 56 7.532 -4.643 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 56 8.391 -3.554 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.253 -2.687 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.879 -2.763 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.569 -4.598 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.271 -5.810 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.890 -5.330 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.103 -0.530 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.589 -1.295 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.984 -1.218 0.482 1.00 0.00 H new ATOM 911 N SER A 57 6.727 -6.736 -0.966 1.00 0.00 N ATOM 912 CA SER A 57 6.286 -7.995 -0.385 1.00 0.00 C ATOM 913 C SER A 57 7.464 -8.758 0.201 1.00 0.00 C ATOM 914 O SER A 57 8.412 -9.104 -0.506 1.00 0.00 O ATOM 915 CB SER A 57 5.578 -8.847 -1.437 1.00 0.00 C ATOM 916 OG SER A 57 5.054 -8.041 -2.477 1.00 0.00 O ATOM 0 H SER A 57 6.926 -6.778 -1.966 1.00 0.00 H new ATOM 0 HA SER A 57 5.584 -7.773 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.277 -9.573 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.772 -9.412 -0.969 1.00 0.00 H new ATOM 0 HG SER A 57 4.401 -8.558 -2.994 1.00 0.00 H new ATOM 922 N ILE A 58 7.400 -9.012 1.501 1.00 0.00 N ATOM 923 CA ILE A 58 8.463 -9.729 2.195 1.00 0.00 C ATOM 924 C ILE A 58 8.008 -11.125 2.612 1.00 0.00 C ATOM 925 O ILE A 58 7.149 -11.277 3.481 1.00 0.00 O ATOM 926 CB ILE A 58 8.944 -8.954 3.441 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.687 -7.685 3.019 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.839 -9.830 4.306 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.430 -6.502 3.925 1.00 0.00 C ATOM 0 H ILE A 58 6.622 -8.732 2.098 1.00 0.00 H new ATOM 0 HA ILE A 58 9.293 -9.821 1.494 1.00 0.00 H new ATOM 0 HB ILE A 58 8.072 -8.670 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.757 -7.891 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.394 -7.424 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.167 -9.265 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.283 -10.709 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.709 -10.144 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.989 -5.639 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.365 -6.269 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.750 -6.744 4.939 1.00 0.00 H new ATOM 941 N GLN A 59 8.599 -12.140 1.989 1.00 0.00 N ATOM 942 CA GLN A 59 8.268 -13.526 2.293 1.00 0.00 C ATOM 943 C GLN A 59 9.153 -14.054 3.415 1.00 0.00 C ATOM 944 O GLN A 59 9.975 -13.321 3.967 1.00 0.00 O ATOM 945 CB GLN A 59 8.435 -14.397 1.045 1.00 0.00 C ATOM 946 CG GLN A 59 7.121 -14.776 0.385 1.00 0.00 C ATOM 947 CD GLN A 59 6.500 -16.017 0.997 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.410 -17.062 0.355 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.067 -15.905 2.248 1.00 0.00 N ATOM 0 H GLN A 59 9.312 -12.027 1.268 1.00 0.00 H new ATOM 0 HA GLN A 59 7.229 -13.567 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.055 -13.866 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.971 -15.307 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.422 -13.944 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.288 -14.944 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.162 -15.018 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.640 -16.706 2.713 1.00 0.00 H new ATOM 958 N GLN A 60 8.987 -15.330 3.748 1.00 0.00 N ATOM 959 CA GLN A 60 9.778 -15.951 4.804 1.00 0.00 C ATOM 960 C GLN A 60 11.239 -16.070 4.381 1.00 0.00 C ATOM 961 O GLN A 60 12.119 -16.310 5.208 1.00 0.00 O ATOM 962 CB GLN A 60 9.216 -17.332 5.149 1.00 0.00 C ATOM 963 CG GLN A 60 7.707 -17.346 5.326 1.00 0.00 C ATOM 964 CD GLN A 60 7.241 -18.423 6.285 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.293 -18.225 7.046 1.00 0.00 O ATOM 966 NE2 GLN A 60 7.906 -19.573 6.255 1.00 0.00 N ATOM 0 H GLN A 60 8.313 -15.953 3.303 1.00 0.00 H new ATOM 0 HA GLN A 60 9.723 -15.318 5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.488 -18.033 4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.685 -17.687 6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.379 -16.373 5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.233 -17.499 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.686 -19.695 5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.637 -20.334 6.878 1.00 0.00 H new ATOM 975 N TYR A 61 11.487 -15.900 3.085 1.00 0.00 N ATOM 976 CA TYR A 61 12.838 -15.984 2.544 1.00 0.00 C ATOM 977 C TYR A 61 13.409 -14.591 2.296 1.00 0.00 C ATOM 978 O TYR A 61 14.535 -14.446 1.821 1.00 0.00 O ATOM 979 CB TYR A 61 12.840 -16.787 1.242 1.00 0.00 C ATOM 980 CG TYR A 61 12.568 -18.264 1.432 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.313 -18.716 1.825 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.566 -19.206 1.217 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.062 -20.065 1.998 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.322 -20.556 1.387 1.00 0.00 C ATOM 985 CZ TYR A 61 12.070 -20.980 1.778 1.00 0.00 C ATOM 986 OH TYR A 61 11.823 -22.323 1.947 1.00 0.00 O ATOM 0 H TYR A 61 10.767 -15.703 2.390 1.00 0.00 H new ATOM 0 HA TYR A 61 13.466 -16.492 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.089 -16.373 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.807 -16.665 0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.521 -18.002 1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.549 -18.878 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.082 -20.400 2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.109 -21.275 1.214 1.00 0.00 H new ATOM 0 HH TYR A 61 12.637 -22.832 1.751 1.00 0.00 H new ATOM 996 N GLY A 62 12.620 -13.569 2.619 1.00 0.00 N ATOM 997 CA GLY A 62 13.058 -12.199 2.423 1.00 0.00 C ATOM 998 C GLY A 62 12.263 -11.490 1.344 1.00 0.00 C ATOM 999 O GLY A 62 11.396 -12.092 0.710 1.00 0.00 O ATOM 0 H GLY A 62 11.684 -13.666 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.962 -11.652 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.115 -12.192 2.156 1.00 0.00 H new ATOM 1003 N HIS A 63 12.557 -10.210 1.131 1.00 0.00 N ATOM 1004 CA HIS A 63 11.863 -9.425 0.114 1.00 0.00 C ATOM 1005 C HIS A 63 12.019 -10.069 -1.260 1.00 0.00 C ATOM 1006 O HIS A 63 13.064 -10.642 -1.568 1.00 0.00 O ATOM 1007 CB HIS A 63 12.400 -7.990 0.086 1.00 0.00 C ATOM 1008 CG HIS A 63 13.873 -7.898 -0.177 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.681 -9.009 -0.153 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.629 -6.808 -0.461 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.901 -8.575 -0.421 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.918 -7.248 -0.615 1.00 0.00 N ATOM 0 H HIS A 63 13.270 -9.695 1.648 1.00 0.00 H new ATOM 0 HA HIS A 63 10.803 -9.398 0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.868 -7.428 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.181 -7.512 1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.282 -5.789 -0.549 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.774 -9.209 -0.477 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.733 -6.676 -0.835 1.00 0.00 H new ATOM 1020 N GLN A 64 10.975 -9.982 -2.081 1.00 0.00 N ATOM 1021 CA GLN A 64 11.012 -10.571 -3.417 1.00 0.00 C ATOM 1022 C GLN A 64 10.055 -9.862 -4.369 1.00 0.00 C ATOM 1023 O GLN A 64 9.911 -10.264 -5.524 1.00 0.00 O ATOM 1024 CB GLN A 64 10.668 -12.063 -3.359 1.00 0.00 C ATOM 1025 CG GLN A 64 9.980 -12.497 -2.072 1.00 0.00 C ATOM 1026 CD GLN A 64 10.032 -14.000 -1.866 1.00 0.00 C ATOM 1027 OE1 GLN A 64 9.059 -14.707 -2.124 1.00 0.00 O ATOM 1028 NE2 GLN A 64 11.174 -14.494 -1.401 1.00 0.00 N ATOM 0 H GLN A 64 10.100 -9.513 -1.847 1.00 0.00 H new ATOM 0 HA GLN A 64 12.027 -10.449 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.023 -12.308 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.585 -12.640 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.453 -12.000 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.940 -12.172 -2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.956 -13.870 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.269 -15.497 -1.244 1.00 0.00 H new ATOM 1037 N GLU A 65 9.394 -8.815 -3.885 1.00 0.00 N ATOM 1038 CA GLU A 65 8.446 -8.073 -4.711 1.00 0.00 C ATOM 1039 C GLU A 65 8.445 -6.584 -4.378 1.00 0.00 C ATOM 1040 O GLU A 65 8.320 -6.197 -3.217 1.00 0.00 O ATOM 1041 CB GLU A 65 7.040 -8.641 -4.523 1.00 0.00 C ATOM 1042 CG GLU A 65 6.323 -8.949 -5.827 1.00 0.00 C ATOM 1043 CD GLU A 65 4.861 -9.291 -5.619 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.579 -10.327 -4.983 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.998 -8.522 -6.094 1.00 0.00 O ATOM 0 H GLU A 65 9.495 -8.463 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 65 8.757 -8.183 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.103 -9.553 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.444 -7.930 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.401 -8.089 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.821 -9.782 -6.323 1.00 0.00 H new ATOM 1052 N VAL A 66 8.566 -5.752 -5.409 1.00 0.00 N ATOM 1053 CA VAL A 66 8.557 -4.303 -5.232 1.00 0.00 C ATOM 1054 C VAL A 66 7.661 -3.630 -6.270 1.00 0.00 C ATOM 1055 O VAL A 66 7.763 -3.910 -7.464 1.00 0.00 O ATOM 1056 CB VAL A 66 9.970 -3.700 -5.325 1.00 0.00 C ATOM 1057 CG1 VAL A 66 9.945 -2.234 -4.918 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.947 -4.483 -4.461 1.00 0.00 C ATOM 0 H VAL A 66 8.672 -6.057 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 66 8.165 -4.117 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 66 10.307 -3.766 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.951 -1.820 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.279 -1.683 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.588 -2.147 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.940 -4.040 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.619 -4.453 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.983 -5.518 -4.800 1.00 0.00 H new ATOM 1068 N THR A 67 6.789 -2.740 -5.808 1.00 0.00 N ATOM 1069 CA THR A 67 5.879 -2.023 -6.697 1.00 0.00 C ATOM 1070 C THR A 67 5.814 -0.543 -6.332 1.00 0.00 C ATOM 1071 O THR A 67 5.510 -0.192 -5.197 1.00 0.00 O ATOM 1072 CB THR A 67 4.459 -2.615 -6.643 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.512 -3.977 -6.203 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.789 -2.545 -8.007 1.00 0.00 C ATOM 0 H THR A 67 6.692 -2.497 -4.822 1.00 0.00 H new ATOM 0 HA THR A 67 6.271 -2.131 -7.708 1.00 0.00 H new ATOM 0 HB THR A 67 3.872 -2.027 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.605 -4.346 -6.170 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.787 -2.969 -7.942 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.723 -1.505 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.377 -3.110 -8.730 1.00 0.00 H new ATOM 1082 N ARG A 68 6.108 0.322 -7.297 1.00 0.00 N ATOM 1083 CA ARG A 68 6.085 1.760 -7.059 1.00 0.00 C ATOM 1084 C ARG A 68 4.824 2.398 -7.632 1.00 0.00 C ATOM 1085 O ARG A 68 4.414 2.095 -8.752 1.00 0.00 O ATOM 1086 CB ARG A 68 7.329 2.414 -7.662 1.00 0.00 C ATOM 1087 CG ARG A 68 8.624 1.733 -7.245 1.00 0.00 C ATOM 1088 CD ARG A 68 9.835 2.381 -7.897 1.00 0.00 C ATOM 1089 NE ARG A 68 9.759 2.347 -9.355 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.825 2.344 -10.150 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.045 2.377 -9.631 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.672 2.309 -11.467 1.00 0.00 N ATOM 0 H ARG A 68 6.364 0.054 -8.247 1.00 0.00 H new ATOM 0 HA ARG A 68 6.082 1.922 -5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.250 2.397 -8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.363 3.461 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.726 1.779 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.585 0.678 -7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.916 3.415 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.740 1.869 -7.570 1.00 0.00 H new ATOM 0 HE ARG A 68 8.836 2.324 -9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.168 2.405 -8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.860 2.375 -10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.736 2.284 -11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.491 2.307 -12.076 1.00 0.00 H new ATOM 1106 N PHE A 69 4.213 3.281 -6.848 1.00 0.00 N ATOM 1107 CA PHE A 69 2.992 3.966 -7.263 1.00 0.00 C ATOM 1108 C PHE A 69 2.825 5.292 -6.527 1.00 0.00 C ATOM 1109 O PHE A 69 3.334 5.467 -5.421 1.00 0.00 O ATOM 1110 CB PHE A 69 1.773 3.075 -7.003 1.00 0.00 C ATOM 1111 CG PHE A 69 1.828 2.344 -5.689 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.704 3.029 -4.490 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.002 0.969 -5.653 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.754 2.359 -3.282 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.052 0.293 -4.448 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.929 0.989 -3.261 1.00 0.00 C ATOM 0 H PHE A 69 4.544 3.540 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 69 3.071 4.173 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.873 3.689 -7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.687 2.348 -7.810 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.567 4.100 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.100 0.419 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.656 2.906 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.187 -0.778 -4.435 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.970 0.463 -2.319 1.00 0.00 H new ATOM 1126 N ASP A 70 2.092 6.215 -7.141 1.00 0.00 N ATOM 1127 CA ASP A 70 1.835 7.519 -6.539 1.00 0.00 C ATOM 1128 C ASP A 70 0.390 7.584 -6.059 1.00 0.00 C ATOM 1129 O ASP A 70 -0.522 7.172 -6.775 1.00 0.00 O ATOM 1130 CB ASP A 70 2.111 8.638 -7.548 1.00 0.00 C ATOM 1131 CG ASP A 70 3.591 8.805 -7.838 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.389 7.972 -7.361 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.951 9.771 -8.543 1.00 0.00 O ATOM 0 H ASP A 70 1.664 6.084 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 70 2.501 7.655 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.584 8.423 -8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.711 9.576 -7.164 1.00 0.00 H new ATOM 1138 N PHE A 71 0.179 8.075 -4.840 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.169 8.149 -4.291 1.00 0.00 C ATOM 1140 C PHE A 71 -1.321 9.284 -3.278 1.00 0.00 C ATOM 1141 O PHE A 71 -0.359 9.688 -2.626 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.530 6.809 -3.640 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.301 6.776 -2.154 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.022 6.646 -1.635 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.369 6.882 -1.275 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.188 6.623 -0.270 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.164 6.859 0.089 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.885 6.730 0.594 1.00 0.00 C ATOM 0 H PHE A 71 0.913 8.422 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.852 8.360 -5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.578 6.588 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.942 6.019 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.820 6.562 -2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.372 6.984 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.189 6.522 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.004 6.942 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.724 6.713 1.662 1.00 0.00 H new ATOM 1158 N THR A 72 -2.551 9.776 -3.145 1.00 0.00 N ATOM 1159 CA THR A 72 -2.864 10.844 -2.206 1.00 0.00 C ATOM 1160 C THR A 72 -4.287 10.688 -1.676 1.00 0.00 C ATOM 1161 O THR A 72 -5.074 9.911 -2.216 1.00 0.00 O ATOM 1162 CB THR A 72 -2.707 12.233 -2.852 1.00 0.00 C ATOM 1163 OG1 THR A 72 -2.270 12.097 -4.209 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.704 13.070 -2.078 1.00 0.00 C ATOM 0 H THR A 72 -3.352 9.446 -3.683 1.00 0.00 H new ATOM 0 HA THR A 72 -2.156 10.768 -1.381 1.00 0.00 H new ATOM 0 HB THR A 72 -3.675 12.733 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.174 12.985 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.606 14.048 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.049 13.194 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.736 12.569 -2.077 1.00 0.00 H new ATOM 1172 N THR A 73 -4.610 11.426 -0.616 1.00 0.00 N ATOM 1173 CA THR A 73 -5.938 11.365 -0.012 1.00 0.00 C ATOM 1174 C THR A 73 -7.038 11.464 -1.069 1.00 0.00 C ATOM 1175 O THR A 73 -7.988 10.680 -1.063 1.00 0.00 O ATOM 1176 CB THR A 73 -6.138 12.486 1.024 1.00 0.00 C ATOM 1177 OG1 THR A 73 -7.532 12.649 1.311 1.00 0.00 O ATOM 1178 CG2 THR A 73 -5.562 13.798 0.515 1.00 0.00 C ATOM 0 H THR A 73 -3.969 12.074 -0.158 1.00 0.00 H new ATOM 0 HA THR A 73 -6.007 10.399 0.488 1.00 0.00 H new ATOM 0 HB THR A 73 -5.613 12.205 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.649 13.363 1.972 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.714 14.577 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.495 13.678 0.328 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.064 14.081 -0.411 1.00 0.00 H new ATOM 1186 N THR A 74 -6.902 12.430 -1.973 1.00 0.00 N ATOM 1187 CA THR A 74 -7.885 12.627 -3.033 1.00 0.00 C ATOM 1188 C THR A 74 -7.366 13.596 -4.095 1.00 0.00 C ATOM 1189 O THR A 74 -8.059 14.533 -4.494 1.00 0.00 O ATOM 1190 CB THR A 74 -9.221 13.152 -2.466 1.00 0.00 C ATOM 1191 OG1 THR A 74 -10.151 13.386 -3.532 1.00 0.00 O ATOM 1192 CG2 THR A 74 -9.012 14.436 -1.674 1.00 0.00 C ATOM 0 H THR A 74 -6.122 13.087 -1.993 1.00 0.00 H new ATOM 0 HA THR A 74 -8.056 11.655 -3.495 1.00 0.00 H new ATOM 0 HB THR A 74 -9.624 12.394 -1.794 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.738 13.967 -4.205 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.969 14.784 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.332 14.245 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.585 15.199 -2.325 1.00 0.00 H new ATOM 1200 N SER A 75 -6.140 13.359 -4.552 1.00 0.00 N ATOM 1201 CA SER A 75 -5.526 14.207 -5.568 1.00 0.00 C ATOM 1202 C SER A 75 -4.694 13.376 -6.540 1.00 0.00 C ATOM 1203 O SER A 75 -4.488 13.768 -7.689 1.00 0.00 O ATOM 1204 CB SER A 75 -4.649 15.271 -4.906 1.00 0.00 C ATOM 1205 OG SER A 75 -4.191 16.219 -5.854 1.00 0.00 O ATOM 0 H SER A 75 -5.553 12.588 -4.235 1.00 0.00 H new ATOM 0 HA SER A 75 -6.321 14.698 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.215 15.778 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.796 14.794 -4.423 1.00 0.00 H new ATOM 0 HG SER A 75 -3.634 16.888 -5.404 1.00 0.00 H new ATOM 1211 N THR A 76 -4.221 12.226 -6.066 1.00 0.00 N ATOM 1212 CA THR A 76 -3.406 11.326 -6.877 1.00 0.00 C ATOM 1213 C THR A 76 -2.214 12.054 -7.496 1.00 0.00 C ATOM 1214 O THR A 76 -1.185 12.236 -6.844 1.00 0.00 O ATOM 1215 CB THR A 76 -4.234 10.658 -7.991 1.00 0.00 C ATOM 1216 OG1 THR A 76 -5.607 10.560 -7.592 1.00 0.00 O ATOM 1217 CG2 THR A 76 -3.691 9.272 -8.303 1.00 0.00 C ATOM 0 H THR A 76 -4.390 11.894 -5.117 1.00 0.00 H new ATOM 0 HA THR A 76 -3.036 10.552 -6.205 1.00 0.00 H new ATOM 0 HB THR A 76 -4.163 11.273 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.126 10.136 -8.307 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.289 8.816 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.655 9.353 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.739 8.652 -7.408 1.00 0.00 H new ATOM 1225 N SER A 77 -2.354 12.471 -8.752 1.00 0.00 N ATOM 1226 CA SER A 77 -1.283 13.178 -9.444 1.00 0.00 C ATOM 1227 C SER A 77 -1.829 13.979 -10.623 1.00 0.00 C ATOM 1228 O SER A 77 -2.261 15.121 -10.459 1.00 0.00 O ATOM 1229 CB SER A 77 -0.217 12.191 -9.926 1.00 0.00 C ATOM 1230 OG SER A 77 1.067 12.552 -9.449 1.00 0.00 O ATOM 0 H SER A 77 -3.197 12.331 -9.309 1.00 0.00 H new ATOM 0 HA SER A 77 -0.828 13.874 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.466 11.187 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.209 12.164 -11.016 1.00 0.00 H new ATOM 0 HG SER A 77 1.729 11.905 -9.770 1.00 0.00 H new ATOM 1236 N THR A 78 -1.808 13.378 -11.811 1.00 0.00 N ATOM 1237 CA THR A 78 -2.300 14.043 -13.013 1.00 0.00 C ATOM 1238 C THR A 78 -2.579 13.045 -14.143 1.00 0.00 C ATOM 1239 O THR A 78 -3.669 13.048 -14.716 1.00 0.00 O ATOM 1240 CB THR A 78 -1.314 15.115 -13.520 1.00 0.00 C ATOM 1241 OG1 THR A 78 -0.297 15.353 -12.540 1.00 0.00 O ATOM 1242 CG2 THR A 78 -2.042 16.414 -13.828 1.00 0.00 C ATOM 0 H THR A 78 -1.456 12.433 -11.966 1.00 0.00 H new ATOM 0 HA THR A 78 -3.234 14.527 -12.728 1.00 0.00 H new ATOM 0 HB THR A 78 -0.853 14.747 -14.436 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.325 16.034 -12.872 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.327 17.156 -14.184 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.794 16.236 -14.597 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.527 16.782 -12.924 1.00 0.00 H new ATOM 1250 N PRO A 79 -1.604 12.174 -14.488 1.00 0.00 N ATOM 1251 CA PRO A 79 -1.782 11.186 -15.559 1.00 0.00 C ATOM 1252 C PRO A 79 -2.881 10.178 -15.238 1.00 0.00 C ATOM 1253 O PRO A 79 -2.923 9.619 -14.141 1.00 0.00 O ATOM 1254 CB PRO A 79 -0.420 10.490 -15.647 1.00 0.00 C ATOM 1255 CG PRO A 79 0.232 10.741 -14.332 1.00 0.00 C ATOM 1256 CD PRO A 79 -0.266 12.082 -13.874 1.00 0.00 C ATOM 0 HA PRO A 79 -2.089 11.654 -16.494 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.535 9.422 -15.832 1.00 0.00 H new ATOM 0 HB3 PRO A 79 0.176 10.893 -16.466 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.026 9.963 -13.614 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.318 10.740 -14.428 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.317 12.142 -12.787 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.386 12.889 -14.208 1.00 0.00 H new ATOM 1264 N GLY A 80 -3.770 9.955 -16.201 1.00 0.00 N ATOM 1265 CA GLY A 80 -4.861 9.018 -16.004 1.00 0.00 C ATOM 1266 C GLY A 80 -4.464 7.586 -16.307 1.00 0.00 C ATOM 1267 O GLY A 80 -5.023 6.648 -15.739 1.00 0.00 O ATOM 0 H GLY A 80 -3.754 10.407 -17.115 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.209 9.084 -14.973 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.698 9.302 -16.642 1.00 0.00 H new ATOM 1271 N SER A 81 -3.498 7.418 -17.204 1.00 0.00 N ATOM 1272 CA SER A 81 -3.031 6.088 -17.579 1.00 0.00 C ATOM 1273 C SER A 81 -1.603 6.141 -18.115 1.00 0.00 C ATOM 1274 O SER A 81 -1.226 7.083 -18.811 1.00 0.00 O ATOM 1275 CB SER A 81 -3.959 5.479 -18.631 1.00 0.00 C ATOM 1276 OG SER A 81 -4.449 4.217 -18.210 1.00 0.00 O ATOM 0 H SER A 81 -3.024 8.184 -17.684 1.00 0.00 H new ATOM 0 HA SER A 81 -3.041 5.462 -16.687 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.795 6.153 -18.817 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.423 5.368 -19.573 1.00 0.00 H new ATOM 0 HG SER A 81 -5.041 3.850 -18.899 1.00 0.00 H new ATOM 1282 N ARG A 82 -0.816 5.123 -17.786 1.00 0.00 N ATOM 1283 CA ARG A 82 0.570 5.048 -18.234 1.00 0.00 C ATOM 1284 C ARG A 82 0.758 3.894 -19.213 1.00 0.00 C ATOM 1285 O ARG A 82 1.608 3.026 -19.011 1.00 0.00 O ATOM 1286 CB ARG A 82 1.508 4.880 -17.036 1.00 0.00 C ATOM 1287 CG ARG A 82 0.950 3.975 -15.948 1.00 0.00 C ATOM 1288 CD ARG A 82 2.040 3.516 -14.992 1.00 0.00 C ATOM 1289 NE ARG A 82 3.060 4.542 -14.789 1.00 0.00 N ATOM 1290 CZ ARG A 82 4.362 4.286 -14.725 1.00 0.00 C ATOM 1291 NH1 ARG A 82 4.804 3.040 -14.840 1.00 0.00 N ATOM 1292 NH2 ARG A 82 5.226 5.277 -14.547 1.00 0.00 N ATOM 0 H ARG A 82 -1.115 4.336 -17.209 1.00 0.00 H new ATOM 0 HA ARG A 82 0.815 5.979 -18.745 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.458 4.474 -17.383 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.718 5.861 -16.609 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.177 4.506 -15.392 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.475 3.106 -16.404 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.594 3.254 -14.033 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.508 2.613 -15.383 1.00 0.00 H new ATOM 0 HE ARG A 82 2.755 5.510 -14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.143 2.275 -14.978 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.804 2.847 -14.790 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.891 6.236 -14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.226 5.080 -14.498 1.00 0.00 H new ATOM 1306 N SER A 83 -0.047 3.891 -20.273 1.00 0.00 N ATOM 1307 CA SER A 83 0.020 2.844 -21.287 1.00 0.00 C ATOM 1308 C SER A 83 -0.177 1.469 -20.656 1.00 0.00 C ATOM 1309 O SER A 83 0.737 0.643 -20.638 1.00 0.00 O ATOM 1310 CB SER A 83 1.361 2.900 -22.025 1.00 0.00 C ATOM 1311 OG SER A 83 1.951 4.184 -21.913 1.00 0.00 O ATOM 0 H SER A 83 -0.754 4.604 -20.451 1.00 0.00 H new ATOM 0 HA SER A 83 -0.783 3.013 -22.005 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.037 2.149 -21.616 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.212 2.655 -23.077 1.00 0.00 H new ATOM 0 HG SER A 83 2.807 4.194 -22.391 1.00 0.00 H new ATOM 1317 N HIS A 84 -1.376 1.234 -20.133 1.00 0.00 N ATOM 1318 CA HIS A 84 -1.700 -0.036 -19.493 1.00 0.00 C ATOM 1319 C HIS A 84 -2.258 -1.033 -20.505 1.00 0.00 C ATOM 1320 O HIS A 84 -3.257 -1.702 -20.243 1.00 0.00 O ATOM 1321 CB HIS A 84 -2.710 0.187 -18.363 1.00 0.00 C ATOM 1322 CG HIS A 84 -2.233 -0.288 -17.025 1.00 0.00 C ATOM 1323 ND1 HIS A 84 -3.114 -0.717 -16.063 1.00 0.00 N ATOM 1324 CD2 HIS A 84 -0.970 -0.377 -16.538 1.00 0.00 C ATOM 1325 CE1 HIS A 84 -2.377 -1.055 -15.021 1.00 0.00 C ATOM 1326 NE2 HIS A 84 -1.070 -0.866 -15.261 1.00 0.00 N ATOM 0 H HIS A 84 -2.141 1.908 -20.140 1.00 0.00 H new ATOM 0 HA HIS A 84 -0.782 -0.451 -19.077 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.942 1.250 -18.300 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.638 -0.327 -18.611 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.060 -0.113 -17.057 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.776 -1.436 -14.092 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.300 -1.050 -14.618 1.00 0.00 H new ATOM 1334 N HIS A 85 -1.599 -1.127 -21.659 1.00 0.00 N ATOM 1335 CA HIS A 85 -2.016 -2.042 -22.721 1.00 0.00 C ATOM 1336 C HIS A 85 -3.407 -1.686 -23.242 1.00 0.00 C ATOM 1337 O HIS A 85 -4.402 -1.815 -22.529 1.00 0.00 O ATOM 1338 CB HIS A 85 -1.999 -3.489 -22.219 1.00 0.00 C ATOM 1339 CG HIS A 85 -0.627 -4.086 -22.142 1.00 0.00 C ATOM 1340 ND1 HIS A 85 -0.275 -4.938 -21.124 1.00 0.00 N ATOM 1341 CD2 HIS A 85 0.434 -3.926 -22.972 1.00 0.00 C ATOM 1342 CE1 HIS A 85 0.982 -5.276 -21.353 1.00 0.00 C ATOM 1343 NE2 HIS A 85 1.454 -4.687 -22.461 1.00 0.00 N ATOM 0 H HIS A 85 -0.769 -0.577 -21.883 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.307 -1.943 -23.543 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.457 -3.526 -21.231 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.615 -4.100 -22.879 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.469 -3.317 -23.863 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.556 -5.942 -20.727 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.392 -4.786 -22.849 1.00 0.00 H new ATOM 1351 N HIS A 86 -3.465 -1.239 -24.494 1.00 0.00 N ATOM 1352 CA HIS A 86 -4.730 -0.866 -25.118 1.00 0.00 C ATOM 1353 C HIS A 86 -5.678 -2.058 -25.193 1.00 0.00 C ATOM 1354 O HIS A 86 -6.889 -1.893 -25.347 1.00 0.00 O ATOM 1355 CB HIS A 86 -4.485 -0.307 -26.521 1.00 0.00 C ATOM 1356 CG HIS A 86 -5.152 1.012 -26.766 1.00 0.00 C ATOM 1357 ND1 HIS A 86 -6.079 1.171 -27.766 1.00 0.00 N ATOM 1358 CD2 HIS A 86 -4.988 2.194 -26.123 1.00 0.00 C ATOM 1359 CE1 HIS A 86 -6.458 2.436 -27.711 1.00 0.00 C ATOM 1360 NE2 HIS A 86 -5.822 3.097 -26.731 1.00 0.00 N ATOM 0 H HIS A 86 -2.649 -1.126 -25.096 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.194 -0.096 -24.501 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.412 -0.196 -26.677 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.841 -1.027 -27.257 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.327 2.388 -25.291 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.187 2.882 -28.371 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.937 4.080 -26.486 1.00 0.00 H new ATOM 1368 N HIS A 87 -5.121 -3.261 -25.083 1.00 0.00 N ATOM 1369 CA HIS A 87 -5.919 -4.480 -25.139 1.00 0.00 C ATOM 1370 C HIS A 87 -5.888 -5.211 -23.800 1.00 0.00 C ATOM 1371 O HIS A 87 -4.855 -5.262 -23.134 1.00 0.00 O ATOM 1372 CB HIS A 87 -5.408 -5.401 -26.250 1.00 0.00 C ATOM 1373 CG HIS A 87 -5.524 -4.809 -27.619 1.00 0.00 C ATOM 1374 ND1 HIS A 87 -6.331 -3.726 -27.866 1.00 0.00 N ATOM 1375 CD2 HIS A 87 -4.923 -5.186 -28.775 1.00 0.00 C ATOM 1376 CE1 HIS A 87 -6.205 -3.467 -29.156 1.00 0.00 C ATOM 1377 NE2 HIS A 87 -5.363 -4.327 -29.749 1.00 0.00 N ATOM 0 H HIS A 87 -4.121 -3.417 -24.955 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.950 -4.200 -25.357 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.364 -5.645 -26.056 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.965 -6.337 -26.220 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.231 -6.005 -28.904 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.715 -2.665 -29.668 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.101 -4.339 -30.735 1.00 0.00 H new ATOM 1385 N HIS A 88 -7.028 -5.773 -23.413 1.00 0.00 N ATOM 1386 CA HIS A 88 -7.134 -6.500 -22.153 1.00 0.00 C ATOM 1387 C HIS A 88 -7.966 -7.766 -22.323 1.00 0.00 C ATOM 1388 O HIS A 88 -9.185 -7.702 -22.491 1.00 0.00 O ATOM 1389 CB HIS A 88 -7.754 -5.608 -21.075 1.00 0.00 C ATOM 1390 CG HIS A 88 -7.014 -5.639 -19.773 1.00 0.00 C ATOM 1391 ND1 HIS A 88 -7.657 -5.918 -18.591 1.00 0.00 N ATOM 1392 CD2 HIS A 88 -5.701 -5.415 -19.520 1.00 0.00 C ATOM 1393 CE1 HIS A 88 -6.730 -5.861 -17.652 1.00 0.00 C ATOM 1394 NE2 HIS A 88 -5.529 -5.559 -18.168 1.00 0.00 N ATOM 0 H HIS A 88 -7.892 -5.739 -23.954 1.00 0.00 H new ATOM 0 HA HIS A 88 -6.129 -6.787 -21.843 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -7.788 -4.581 -21.440 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -8.784 -5.920 -20.905 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.938 -5.170 -20.244 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.915 -6.035 -16.602 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.655 -5.456 -17.653 1.00 0.00 H new ATOM 1402 N HIS A 89 -7.301 -8.916 -22.276 1.00 0.00 N ATOM 1403 CA HIS A 89 -7.978 -10.198 -22.424 1.00 0.00 C ATOM 1404 C HIS A 89 -7.525 -11.180 -21.347 1.00 0.00 C ATOM 1405 O HIS A 89 -6.433 -11.765 -21.501 1.00 0.00 O ATOM 1406 CB HIS A 89 -7.708 -10.784 -23.811 1.00 0.00 C ATOM 1407 CG HIS A 89 -8.630 -11.907 -24.177 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -9.723 -12.217 -23.406 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -8.579 -12.756 -25.233 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -10.310 -13.239 -24.003 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -9.652 -13.601 -25.114 1.00 0.00 N ATOM 1412 OXT HIS A 89 -8.267 -11.354 -20.357 1.00 0.00 O ATOM 0 H HIS A 89 -6.293 -8.986 -22.136 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.049 -10.030 -22.310 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.800 -9.993 -24.555 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.679 -11.142 -23.851 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -7.836 -12.765 -26.017 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.206 -13.722 -23.642 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -9.902 -14.359 -25.749 1.00 0.00 H new TER 1420 HIS A 89