USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 704 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 ALA N :NH3+ -147:sc= -1.8! (180deg=-2.37!) USER MOD Single : A 3 THR OG1 : rot 81:sc= 0.0342 USER MOD Single : A 4 THR OG1 : rot 50:sc= 0.45 USER MOD Single : A 6 SER OG : rot 180:sc= -0.902 USER MOD Single : A 8 HIS : no HD1:sc= -0.749 K(o=-0.75,f=-1.5!) USER MOD Single : A 11 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ -121:sc= -1.72! (180deg=-1.98!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-7.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.7 X(o=-0.7,f=-0.43) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0325 K(o=-0.032,f=-0.73) USER MOD Single : A 62 HIS : no HD1:sc= -13.6! C(o=-14!,f=-13!) USER MOD Single : A 63 CYS SG : rot 130:sc= -2.36! USER MOD Single : A 64 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.55) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 70 SER OG : rot -38:sc= -0.117 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.628 K(o=-0.63,f=-2.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0745 K(o=-0.075,f=-1.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.491 -19.803 -3.377 1.00 0.00 N ATOM 2 CA ALA A 1 -3.014 -19.799 -2.006 1.00 0.00 C ATOM 3 C ALA A 1 -1.659 -19.090 -1.943 1.00 0.00 C ATOM 4 O ALA A 1 -1.195 -18.542 -2.941 1.00 0.00 O ATOM 5 CB ALA A 1 -2.944 -21.236 -1.485 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.529 -19.741 -3.384 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.092 -18.988 -3.886 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.194 -20.683 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.703 -19.252 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.586 -21.233 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.936 -21.685 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.260 -21.815 -2.105 1.00 0.00 H new ATOM 11 N LEU A 2 -1.064 -19.123 -0.760 1.00 0.00 N ATOM 12 CA LEU A 2 0.228 -18.491 -0.555 1.00 0.00 C ATOM 13 C LEU A 2 1.200 -18.963 -1.637 1.00 0.00 C ATOM 14 O LEU A 2 1.622 -20.118 -1.638 1.00 0.00 O ATOM 15 CB LEU A 2 0.727 -18.741 0.871 1.00 0.00 C ATOM 16 CG LEU A 2 0.056 -17.917 1.970 1.00 0.00 C ATOM 17 CD1 LEU A 2 0.361 -16.427 1.803 1.00 0.00 C ATOM 18 CD2 LEU A 2 -1.449 -18.192 2.020 1.00 0.00 C ATOM 0 H LEU A 2 -1.453 -19.577 0.066 1.00 0.00 H new ATOM 0 HA LEU A 2 0.142 -17.409 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.591 -19.797 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.799 -18.544 0.900 1.00 0.00 H new ATOM 0 HG LEU A 2 0.472 -18.225 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.128 -15.864 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.438 -16.268 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.009 -16.086 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.902 -17.593 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.899 -17.929 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.619 -19.249 2.223 1.00 0.00 H new ATOM 29 N THR A 3 1.529 -18.043 -2.534 1.00 0.00 N ATOM 30 CA THR A 3 2.443 -18.351 -3.621 1.00 0.00 C ATOM 31 C THR A 3 3.558 -17.306 -3.691 1.00 0.00 C ATOM 32 O THR A 3 3.815 -16.738 -4.751 1.00 0.00 O ATOM 33 CB THR A 3 1.626 -18.456 -4.911 1.00 0.00 C ATOM 34 OG1 THR A 3 1.046 -19.756 -4.850 1.00 0.00 O ATOM 35 CG2 THR A 3 2.508 -18.499 -6.160 1.00 0.00 C ATOM 0 H THR A 3 1.179 -17.085 -2.530 1.00 0.00 H new ATOM 0 HA THR A 3 2.944 -19.305 -3.459 1.00 0.00 H new ATOM 0 HB THR A 3 0.943 -17.609 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.250 -19.733 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.879 -18.574 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.106 -17.589 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.168 -19.365 -6.110 1.00 0.00 H new ATOM 43 N THR A 4 4.190 -17.085 -2.548 1.00 0.00 N ATOM 44 CA THR A 4 5.272 -16.118 -2.466 1.00 0.00 C ATOM 45 C THR A 4 5.845 -15.840 -3.857 1.00 0.00 C ATOM 46 O THR A 4 6.667 -16.606 -4.358 1.00 0.00 O ATOM 47 CB THR A 4 6.310 -16.653 -1.477 1.00 0.00 C ATOM 48 OG1 THR A 4 6.558 -17.984 -1.920 1.00 0.00 O ATOM 49 CG2 THR A 4 5.739 -16.828 -0.068 1.00 0.00 C ATOM 0 H THR A 4 3.974 -17.559 -1.671 1.00 0.00 H new ATOM 0 HA THR A 4 4.916 -15.156 -2.097 1.00 0.00 H new ATOM 0 HB THR A 4 7.162 -15.974 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.743 -17.979 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.516 -17.210 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.386 -15.866 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.908 -17.533 -0.097 1.00 0.00 H new ATOM 57 N ILE A 5 5.388 -14.742 -4.442 1.00 0.00 N ATOM 58 CA ILE A 5 5.845 -14.355 -5.765 1.00 0.00 C ATOM 59 C ILE A 5 7.035 -13.403 -5.630 1.00 0.00 C ATOM 60 O ILE A 5 7.145 -12.677 -4.643 1.00 0.00 O ATOM 61 CB ILE A 5 4.688 -13.779 -6.585 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.196 -13.146 -7.882 1.00 0.00 C ATOM 63 CG2 ILE A 5 3.861 -12.797 -5.752 1.00 0.00 C ATOM 64 CD1 ILE A 5 4.051 -12.493 -8.658 1.00 0.00 C ATOM 0 H ILE A 5 4.706 -14.109 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 5 6.194 -15.227 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 5 4.027 -14.599 -6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.957 -12.400 -7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.672 -13.907 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.046 -12.402 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.451 -13.312 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.497 -11.976 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.439 -12.051 -9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.304 -13.246 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.593 -11.716 -8.046 1.00 0.00 H new ATOM 75 N SER A 6 7.896 -13.436 -6.637 1.00 0.00 N ATOM 76 CA SER A 6 9.074 -12.585 -6.642 1.00 0.00 C ATOM 77 C SER A 6 8.710 -11.191 -7.157 1.00 0.00 C ATOM 78 O SER A 6 7.560 -10.938 -7.515 1.00 0.00 O ATOM 79 CB SER A 6 10.188 -13.192 -7.499 1.00 0.00 C ATOM 80 OG SER A 6 11.388 -13.382 -6.755 1.00 0.00 O ATOM 0 H SER A 6 7.801 -14.038 -7.455 1.00 0.00 H new ATOM 0 HA SER A 6 9.442 -12.504 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.855 -14.149 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.388 -12.540 -8.349 1.00 0.00 H new ATOM 0 HG SER A 6 12.074 -13.772 -7.335 1.00 0.00 H new ATOM 85 N PRO A 7 9.737 -10.300 -7.180 1.00 0.00 N ATOM 86 CA PRO A 7 9.537 -8.938 -7.645 1.00 0.00 C ATOM 87 C PRO A 7 9.417 -8.891 -9.169 1.00 0.00 C ATOM 88 O PRO A 7 9.499 -9.922 -9.834 1.00 0.00 O ATOM 89 CB PRO A 7 10.734 -8.162 -7.118 1.00 0.00 C ATOM 90 CG PRO A 7 11.788 -9.204 -6.779 1.00 0.00 C ATOM 91 CD PRO A 7 11.112 -10.564 -6.764 1.00 0.00 C ATOM 0 HA PRO A 7 8.606 -8.502 -7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.104 -7.460 -7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.465 -7.578 -6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.593 -9.186 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.237 -8.991 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.605 -11.259 -7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.146 -11.012 -5.771 1.00 0.00 H new ATOM 96 N HIS A 8 9.227 -7.682 -9.679 1.00 0.00 N ATOM 97 CA HIS A 8 9.095 -7.488 -11.113 1.00 0.00 C ATOM 98 C HIS A 8 7.764 -8.072 -11.590 1.00 0.00 C ATOM 99 O HIS A 8 6.930 -7.355 -12.139 1.00 0.00 O ATOM 100 CB HIS A 8 10.300 -8.073 -11.853 1.00 0.00 C ATOM 101 CG HIS A 8 9.944 -8.785 -13.137 1.00 0.00 C ATOM 102 ND1 HIS A 8 9.179 -8.202 -14.130 1.00 0.00 N ATOM 103 CD2 HIS A 8 10.259 -10.037 -13.578 1.00 0.00 C ATOM 104 CE1 HIS A 8 9.044 -9.071 -15.121 1.00 0.00 C ATOM 105 NE2 HIS A 8 9.714 -10.209 -14.776 1.00 0.00 N ATOM 0 H HIS A 8 9.161 -6.828 -9.125 1.00 0.00 H new ATOM 0 HA HIS A 8 9.085 -6.422 -11.340 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.001 -7.269 -12.077 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.815 -8.771 -11.193 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.851 -10.765 -13.043 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.500 -8.908 -16.040 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.784 -11.053 -15.345 1.00 0.00 H new ATOM 112 N ASP A 9 7.608 -9.368 -11.364 1.00 0.00 N ATOM 113 CA ASP A 9 6.393 -10.057 -11.764 1.00 0.00 C ATOM 114 C ASP A 9 5.188 -9.380 -11.106 1.00 0.00 C ATOM 115 O ASP A 9 4.139 -9.231 -11.730 1.00 0.00 O ATOM 116 CB ASP A 9 6.415 -11.519 -11.317 1.00 0.00 C ATOM 117 CG ASP A 9 7.229 -12.456 -12.212 1.00 0.00 C ATOM 118 OD1 ASP A 9 8.460 -12.344 -12.303 1.00 0.00 O ATOM 119 OD2 ASP A 9 6.537 -13.343 -12.845 1.00 0.00 O ATOM 0 H ASP A 9 8.303 -9.959 -10.909 1.00 0.00 H new ATOM 0 HA ASP A 9 6.324 -10.014 -12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.817 -11.568 -10.305 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.389 -11.885 -11.271 1.00 0.00 H new ATOM 124 N ALA A 10 5.381 -8.989 -9.855 1.00 0.00 N ATOM 125 CA ALA A 10 4.323 -8.332 -9.106 1.00 0.00 C ATOM 126 C ALA A 10 3.947 -7.022 -9.803 1.00 0.00 C ATOM 127 O ALA A 10 2.769 -6.685 -9.905 1.00 0.00 O ATOM 128 CB ALA A 10 4.779 -8.114 -7.662 1.00 0.00 C ATOM 0 H ALA A 10 6.253 -9.114 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 10 3.430 -8.957 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.985 -7.621 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.005 -9.076 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.672 -7.489 -7.653 1.00 0.00 H new ATOM 134 N GLN A 11 4.972 -6.320 -10.266 1.00 0.00 N ATOM 135 CA GLN A 11 4.765 -5.056 -10.949 1.00 0.00 C ATOM 136 C GLN A 11 3.804 -5.240 -12.125 1.00 0.00 C ATOM 137 O GLN A 11 3.224 -4.272 -12.616 1.00 0.00 O ATOM 138 CB GLN A 11 6.095 -4.461 -11.416 1.00 0.00 C ATOM 139 CG GLN A 11 5.894 -3.061 -12.000 1.00 0.00 C ATOM 140 CD GLN A 11 6.708 -2.880 -13.284 1.00 0.00 C ATOM 141 OE1 GLN A 11 7.675 -3.579 -13.540 1.00 0.00 O ATOM 142 NE2 GLN A 11 6.263 -1.907 -14.073 1.00 0.00 N ATOM 0 H GLN A 11 5.948 -6.604 -10.181 1.00 0.00 H new ATOM 0 HA GLN A 11 4.318 -4.354 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.790 -4.413 -10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.545 -5.111 -12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.837 -2.899 -12.210 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.192 -2.311 -11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.447 -1.360 -13.798 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.737 -1.707 -14.954 1.00 0.00 H new ATOM 149 N GLU A 12 3.665 -6.489 -12.545 1.00 0.00 N ATOM 150 CA GLU A 12 2.784 -6.813 -13.655 1.00 0.00 C ATOM 151 C GLU A 12 1.368 -7.087 -13.145 1.00 0.00 C ATOM 152 O GLU A 12 0.455 -6.298 -13.381 1.00 0.00 O ATOM 153 CB GLU A 12 3.321 -8.003 -14.452 1.00 0.00 C ATOM 154 CG GLU A 12 3.421 -7.664 -15.941 1.00 0.00 C ATOM 155 CD GLU A 12 2.974 -8.846 -16.803 1.00 0.00 C ATOM 156 OE1 GLU A 12 2.095 -9.618 -16.390 1.00 0.00 O ATOM 157 OE2 GLU A 12 3.572 -8.949 -17.941 1.00 0.00 O ATOM 0 H GLU A 12 4.148 -7.289 -12.137 1.00 0.00 H new ATOM 0 HA GLU A 12 2.747 -5.956 -14.327 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.303 -8.286 -14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.666 -8.863 -14.314 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.803 -6.794 -16.162 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.448 -7.396 -16.189 1.00 0.00 H new ATOM 163 N LEU A 13 1.229 -8.210 -12.456 1.00 0.00 N ATOM 164 CA LEU A 13 -0.060 -8.599 -11.911 1.00 0.00 C ATOM 165 C LEU A 13 -0.755 -7.369 -11.326 1.00 0.00 C ATOM 166 O LEU A 13 -1.938 -7.142 -11.577 1.00 0.00 O ATOM 167 CB LEU A 13 0.105 -9.746 -10.911 1.00 0.00 C ATOM 168 CG LEU A 13 1.183 -9.553 -9.842 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.584 -8.986 -8.554 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.947 -10.855 -9.595 1.00 0.00 C ATOM 0 H LEU A 13 1.988 -8.863 -12.263 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.706 -8.985 -12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.850 -9.906 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.331 -10.656 -11.466 1.00 0.00 H new ATOM 0 HG LEU A 13 1.902 -8.822 -10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.372 -8.859 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.122 -8.021 -8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.169 -9.674 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.707 -10.691 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.254 -11.625 -9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.425 -11.177 -10.520 1.00 0.00 H new ATOM 181 N ILE A 14 0.010 -6.606 -10.559 1.00 0.00 N ATOM 182 CA ILE A 14 -0.518 -5.403 -9.937 1.00 0.00 C ATOM 183 C ILE A 14 -1.165 -4.522 -11.008 1.00 0.00 C ATOM 184 O ILE A 14 -2.207 -3.913 -10.768 1.00 0.00 O ATOM 185 CB ILE A 14 0.573 -4.693 -9.134 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.481 -5.047 -7.648 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.529 -3.181 -9.366 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.868 -5.307 -7.059 1.00 0.00 C ATOM 0 H ILE A 14 0.991 -6.797 -10.354 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.297 -5.656 -9.218 1.00 0.00 H new ATOM 0 HB ILE A 14 1.541 -5.046 -9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.001 -4.234 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.144 -5.931 -7.519 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.315 -2.700 -8.783 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.682 -2.971 -10.425 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.441 -2.793 -9.055 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.774 -5.556 -6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.338 -6.137 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.483 -4.413 -7.167 1.00 0.00 H new ATOM 199 N ALA A 15 -0.521 -4.483 -12.165 1.00 0.00 N ATOM 200 CA ALA A 15 -1.022 -3.687 -13.273 1.00 0.00 C ATOM 201 C ALA A 15 -2.084 -4.487 -14.032 1.00 0.00 C ATOM 202 O ALA A 15 -2.522 -4.080 -15.107 1.00 0.00 O ATOM 203 CB ALA A 15 0.145 -3.269 -14.170 1.00 0.00 C ATOM 0 H ALA A 15 0.343 -4.989 -12.359 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.495 -2.776 -12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.231 -2.672 -15.001 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.856 -2.679 -13.591 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.643 -4.158 -14.558 1.00 0.00 H new ATOM 209 N ARG A 16 -2.464 -5.611 -13.442 1.00 0.00 N ATOM 210 CA ARG A 16 -3.465 -6.471 -14.049 1.00 0.00 C ATOM 211 C ARG A 16 -4.754 -6.450 -13.224 1.00 0.00 C ATOM 212 O ARG A 16 -5.846 -6.603 -13.769 1.00 0.00 O ATOM 213 CB ARG A 16 -2.961 -7.911 -14.158 1.00 0.00 C ATOM 214 CG ARG A 16 -1.646 -7.975 -14.938 1.00 0.00 C ATOM 215 CD ARG A 16 -1.903 -7.974 -16.447 1.00 0.00 C ATOM 216 NE ARG A 16 -0.806 -8.680 -17.146 1.00 0.00 N ATOM 217 CZ ARG A 16 -0.798 -10.006 -17.399 1.00 0.00 C ATOM 218 NH1 ARG A 16 -1.830 -10.784 -17.008 1.00 0.00 N ATOM 219 NH2 ARG A 16 0.235 -10.530 -18.032 1.00 0.00 N ATOM 0 H ARG A 16 -2.097 -5.945 -12.551 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.665 -6.091 -15.051 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.817 -8.326 -13.160 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.712 -8.526 -14.653 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.019 -7.124 -14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.097 -8.875 -14.659 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.855 -8.459 -16.663 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.978 -6.949 -16.811 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.005 -8.130 -17.456 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.623 -10.371 -16.518 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.816 -11.785 -17.203 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.011 -9.935 -18.322 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.257 -11.530 -18.231 1.00 0.00 H new ATOM 229 N GLY A 17 -4.584 -6.260 -11.924 1.00 0.00 N ATOM 230 CA GLY A 17 -5.720 -6.217 -11.019 1.00 0.00 C ATOM 231 C GLY A 17 -5.328 -6.711 -9.624 1.00 0.00 C ATOM 232 O GLY A 17 -6.015 -6.426 -8.645 1.00 0.00 O ATOM 0 H GLY A 17 -3.677 -6.134 -11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.100 -5.197 -10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.528 -6.834 -11.414 1.00 0.00 H new ATOM 236 N ALA A 18 -4.225 -7.444 -9.579 1.00 0.00 N ATOM 237 CA ALA A 18 -3.734 -7.981 -8.321 1.00 0.00 C ATOM 238 C ALA A 18 -3.915 -6.934 -7.220 1.00 0.00 C ATOM 239 O ALA A 18 -3.182 -5.947 -7.170 1.00 0.00 O ATOM 240 CB ALA A 18 -2.274 -8.409 -8.484 1.00 0.00 C ATOM 0 H ALA A 18 -3.657 -7.679 -10.393 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.303 -8.865 -8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.905 -8.812 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.203 -9.174 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.672 -7.547 -8.770 1.00 0.00 H new ATOM 246 N LYS A 19 -4.895 -7.184 -6.366 1.00 0.00 N ATOM 247 CA LYS A 19 -5.182 -6.275 -5.268 1.00 0.00 C ATOM 248 C LYS A 19 -4.264 -6.601 -4.089 1.00 0.00 C ATOM 249 O LYS A 19 -4.543 -7.513 -3.314 1.00 0.00 O ATOM 250 CB LYS A 19 -6.671 -6.313 -4.917 1.00 0.00 C ATOM 251 CG LYS A 19 -7.283 -4.912 -4.974 1.00 0.00 C ATOM 252 CD LYS A 19 -7.098 -4.289 -6.359 1.00 0.00 C ATOM 253 CE LYS A 19 -6.706 -2.813 -6.249 1.00 0.00 C ATOM 254 NZ LYS A 19 -5.685 -2.627 -5.193 1.00 0.00 N ATOM 0 H LYS A 19 -5.501 -8.003 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.973 -5.246 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.195 -6.971 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.803 -6.731 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.345 -4.965 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.817 -4.277 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.329 -4.833 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.022 -4.382 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.318 -2.461 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.587 -2.212 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.046 -1.968 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.474 -3.543 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.817 -2.238 -5.614 1.00 0.00 H new ATOM 263 N LEU A 20 -3.186 -5.836 -3.991 1.00 0.00 N ATOM 264 CA LEU A 20 -2.225 -6.031 -2.920 1.00 0.00 C ATOM 265 C LEU A 20 -2.674 -5.245 -1.687 1.00 0.00 C ATOM 266 O LEU A 20 -3.239 -4.159 -1.811 1.00 0.00 O ATOM 267 CB LEU A 20 -0.814 -5.677 -3.395 1.00 0.00 C ATOM 268 CG LEU A 20 0.214 -5.401 -2.295 1.00 0.00 C ATOM 269 CD1 LEU A 20 0.529 -6.674 -1.507 1.00 0.00 C ATOM 270 CD2 LEU A 20 1.477 -4.759 -2.874 1.00 0.00 C ATOM 0 H LEU A 20 -2.958 -5.080 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.185 -7.081 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.444 -6.495 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.877 -4.797 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.219 -4.687 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.262 -6.450 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.384 -7.051 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.933 -7.429 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.191 -4.573 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.923 -5.430 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.218 -3.816 -3.355 1.00 0.00 H new ATOM 281 N ILE A 21 -2.407 -5.822 -0.525 1.00 0.00 N ATOM 282 CA ILE A 21 -2.776 -5.188 0.729 1.00 0.00 C ATOM 283 C ILE A 21 -1.521 -4.978 1.578 1.00 0.00 C ATOM 284 O ILE A 21 -0.552 -5.727 1.458 1.00 0.00 O ATOM 285 CB ILE A 21 -3.869 -5.995 1.435 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.740 -6.742 0.423 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.699 -5.101 2.358 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.559 -5.764 -0.422 1.00 0.00 C ATOM 0 H ILE A 21 -1.939 -6.723 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.206 -4.203 0.547 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.389 -6.747 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.110 -7.350 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.409 -7.424 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.468 -5.698 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.051 -4.655 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.170 -4.311 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.169 -6.320 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.206 -5.175 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.886 -5.099 -0.964 1.00 0.00 H new ATOM 299 N ASP A 22 -1.579 -3.955 2.418 1.00 0.00 N ATOM 300 CA ASP A 22 -0.459 -3.636 3.288 1.00 0.00 C ATOM 301 C ASP A 22 -0.771 -4.111 4.709 1.00 0.00 C ATOM 302 O ASP A 22 -1.626 -3.541 5.384 1.00 0.00 O ATOM 303 CB ASP A 22 -0.213 -2.127 3.337 1.00 0.00 C ATOM 304 CG ASP A 22 -0.443 -1.478 4.703 1.00 0.00 C ATOM 305 OD1 ASP A 22 0.102 -1.926 5.723 1.00 0.00 O ATOM 306 OD2 ASP A 22 -1.232 -0.458 4.697 1.00 0.00 O ATOM 0 H ASP A 22 -2.384 -3.336 2.515 1.00 0.00 H new ATOM 0 HA ASP A 22 0.427 -4.133 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.813 -1.931 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.864 -1.644 2.608 1.00 0.00 H new ATOM 311 N ILE A 23 -0.060 -5.151 5.120 1.00 0.00 N ATOM 312 CA ILE A 23 -0.251 -5.709 6.448 1.00 0.00 C ATOM 313 C ILE A 23 1.005 -5.457 7.287 1.00 0.00 C ATOM 314 O ILE A 23 1.621 -6.396 7.786 1.00 0.00 O ATOM 315 CB ILE A 23 -0.643 -7.184 6.357 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.580 -8.063 6.089 1.00 0.00 C ATOM 317 CG2 ILE A 23 -1.742 -7.397 5.314 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.845 -9.008 7.262 1.00 0.00 C ATOM 0 H ILE A 23 0.649 -5.621 4.557 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.079 -5.213 6.955 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.051 -7.487 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.423 -8.642 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.454 -7.434 5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.002 -8.455 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.623 -6.818 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.385 -7.070 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.720 -9.621 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.026 -8.425 8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.021 -9.652 7.413 1.00 0.00 H new ATOM 329 N ARG A 24 1.346 -4.183 7.414 1.00 0.00 N ATOM 330 CA ARG A 24 2.515 -3.795 8.184 1.00 0.00 C ATOM 331 C ARG A 24 2.176 -2.632 9.117 1.00 0.00 C ATOM 332 O ARG A 24 2.395 -2.714 10.324 1.00 0.00 O ATOM 333 CB ARG A 24 3.668 -3.384 7.265 1.00 0.00 C ATOM 334 CG ARG A 24 3.153 -3.015 5.873 1.00 0.00 C ATOM 335 CD ARG A 24 4.084 -2.009 5.193 1.00 0.00 C ATOM 336 NE ARG A 24 3.395 -0.708 5.034 1.00 0.00 N ATOM 337 CZ ARG A 24 3.649 0.165 4.036 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.578 -0.117 3.098 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.973 1.298 3.990 1.00 0.00 N ATOM 0 H ARG A 24 0.833 -3.406 6.997 1.00 0.00 H new ATOM 0 HA ARG A 24 2.824 -4.658 8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.198 -2.535 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.385 -4.201 7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.073 -3.913 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.151 -2.593 5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.989 -1.880 5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.393 -2.388 4.219 1.00 0.00 H new ATOM 0 HE ARG A 24 2.685 -0.456 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.095 -0.996 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.763 0.548 2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.271 1.503 4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.152 1.969 3.243 1.00 0.00 H new ATOM 349 N ASP A 25 1.645 -1.574 8.521 1.00 0.00 N ATOM 350 CA ASP A 25 1.273 -0.394 9.284 1.00 0.00 C ATOM 351 C ASP A 25 0.753 0.683 8.328 1.00 0.00 C ATOM 352 O ASP A 25 0.551 0.421 7.144 1.00 0.00 O ATOM 353 CB ASP A 25 2.477 0.180 10.034 1.00 0.00 C ATOM 354 CG ASP A 25 2.249 0.435 11.525 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.575 1.402 11.912 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.804 -0.420 12.315 1.00 0.00 O ATOM 0 H ASP A 25 1.464 -1.509 7.519 1.00 0.00 H new ATOM 0 HA ASP A 25 0.507 -0.685 10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.316 -0.506 9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.767 1.118 9.561 1.00 0.00 H new ATOM 361 N ALA A 26 0.551 1.871 8.880 1.00 0.00 N ATOM 362 CA ALA A 26 0.059 2.987 8.092 1.00 0.00 C ATOM 363 C ALA A 26 1.157 4.046 7.975 1.00 0.00 C ATOM 364 O ALA A 26 1.441 4.532 6.882 1.00 0.00 O ATOM 365 CB ALA A 26 -1.217 3.539 8.730 1.00 0.00 C ATOM 0 H ALA A 26 0.719 2.084 9.863 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.195 2.662 7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.586 4.377 8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.975 2.756 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.000 3.878 9.743 1.00 0.00 H new ATOM 371 N ASP A 27 1.744 4.372 9.117 1.00 0.00 N ATOM 372 CA ASP A 27 2.806 5.365 9.155 1.00 0.00 C ATOM 373 C ASP A 27 3.705 5.192 7.930 1.00 0.00 C ATOM 374 O ASP A 27 4.082 6.172 7.289 1.00 0.00 O ATOM 375 CB ASP A 27 3.671 5.197 10.406 1.00 0.00 C ATOM 376 CG ASP A 27 2.895 4.979 11.705 1.00 0.00 C ATOM 377 OD1 ASP A 27 1.927 5.696 11.999 1.00 0.00 O ATOM 378 OD2 ASP A 27 3.327 4.013 12.442 1.00 0.00 O ATOM 0 H ASP A 27 1.505 3.967 10.022 1.00 0.00 H new ATOM 0 HA ASP A 27 2.345 6.353 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.341 4.351 10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.296 6.083 10.518 1.00 0.00 H new ATOM 383 N GLU A 28 4.023 3.939 7.641 1.00 0.00 N ATOM 384 CA GLU A 28 4.871 3.625 6.504 1.00 0.00 C ATOM 385 C GLU A 28 4.285 4.221 5.224 1.00 0.00 C ATOM 386 O GLU A 28 4.986 4.895 4.471 1.00 0.00 O ATOM 387 CB GLU A 28 5.065 2.113 6.367 1.00 0.00 C ATOM 388 CG GLU A 28 5.358 1.471 7.724 1.00 0.00 C ATOM 389 CD GLU A 28 6.299 2.348 8.553 1.00 0.00 C ATOM 390 OE1 GLU A 28 7.305 2.849 8.027 1.00 0.00 O ATOM 391 OE2 GLU A 28 5.955 2.503 9.786 1.00 0.00 O ATOM 0 H GLU A 28 3.708 3.129 8.175 1.00 0.00 H new ATOM 0 HA GLU A 28 5.851 4.071 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.170 1.666 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.886 1.909 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.425 1.318 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.806 0.488 7.576 1.00 0.00 H new ATOM 397 N TYR A 29 3.004 3.952 5.015 1.00 0.00 N ATOM 398 CA TYR A 29 2.315 4.453 3.838 1.00 0.00 C ATOM 399 C TYR A 29 2.575 5.949 3.648 1.00 0.00 C ATOM 400 O TYR A 29 2.624 6.435 2.519 1.00 0.00 O ATOM 401 CB TYR A 29 0.823 4.236 4.099 1.00 0.00 C ATOM 402 CG TYR A 29 -0.067 4.507 2.884 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.301 5.804 2.476 1.00 0.00 C ATOM 404 CD2 TYR A 29 -0.634 3.454 2.196 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.138 6.060 1.333 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.471 3.709 1.053 1.00 0.00 C ATOM 407 CZ TYR A 29 -1.682 4.999 0.677 1.00 0.00 C ATOM 408 OH TYR A 29 -2.473 5.239 -0.403 1.00 0.00 O ATOM 0 H TYR A 29 2.425 3.393 5.642 1.00 0.00 H new ATOM 0 HA TYR A 29 2.661 3.939 2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.668 3.209 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.510 4.884 4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.144 6.628 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.450 2.439 2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.330 7.071 1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.922 2.894 0.506 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.791 4.388 -0.771 1.00 0.00 H new ATOM 417 N LEU A 30 2.733 6.638 4.768 1.00 0.00 N ATOM 418 CA LEU A 30 2.986 8.068 4.739 1.00 0.00 C ATOM 419 C LEU A 30 4.183 8.351 3.828 1.00 0.00 C ATOM 420 O LEU A 30 4.013 8.793 2.694 1.00 0.00 O ATOM 421 CB LEU A 30 3.152 8.613 6.159 1.00 0.00 C ATOM 422 CG LEU A 30 2.943 10.119 6.328 1.00 0.00 C ATOM 423 CD1 LEU A 30 2.457 10.450 7.741 1.00 0.00 C ATOM 424 CD2 LEU A 30 4.212 10.893 5.962 1.00 0.00 C ATOM 0 H LEU A 30 2.691 6.232 5.703 1.00 0.00 H new ATOM 0 HA LEU A 30 2.131 8.597 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.450 8.093 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.154 8.364 6.508 1.00 0.00 H new ATOM 0 HG LEU A 30 2.162 10.435 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.316 11.527 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.511 9.943 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.198 10.116 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.037 11.961 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.030 10.579 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.475 10.691 4.924 1.00 0.00 H new ATOM 435 N ARG A 31 5.367 8.083 4.361 1.00 0.00 N ATOM 436 CA ARG A 31 6.591 8.303 3.611 1.00 0.00 C ATOM 437 C ARG A 31 6.601 7.443 2.345 1.00 0.00 C ATOM 438 O ARG A 31 6.520 7.965 1.235 1.00 0.00 O ATOM 439 CB ARG A 31 7.822 7.970 4.456 1.00 0.00 C ATOM 440 CG ARG A 31 8.208 9.148 5.352 1.00 0.00 C ATOM 441 CD ARG A 31 9.382 9.930 4.756 1.00 0.00 C ATOM 442 NE ARG A 31 9.065 11.375 4.730 1.00 0.00 N ATOM 443 CZ ARG A 31 9.178 12.193 5.798 1.00 0.00 C ATOM 444 NH1 ARG A 31 9.601 11.714 6.987 1.00 0.00 N ATOM 445 NH2 ARG A 31 8.869 13.469 5.662 1.00 0.00 N ATOM 0 H ARG A 31 5.504 7.716 5.303 1.00 0.00 H new ATOM 0 HA ARG A 31 6.627 9.357 3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.619 7.093 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.657 7.716 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.351 9.810 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.476 8.783 6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.282 9.757 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.590 9.577 3.746 1.00 0.00 H new ATOM 0 HE ARG A 31 8.741 11.778 3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.838 10.727 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.683 12.339 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.550 13.823 4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.949 14.101 6.459 1.00 0.00 H new ATOM 455 N GLU A 32 6.701 6.139 2.556 1.00 0.00 N ATOM 456 CA GLU A 32 6.723 5.201 1.446 1.00 0.00 C ATOM 457 C GLU A 32 5.339 4.578 1.252 1.00 0.00 C ATOM 458 O GLU A 32 4.398 4.911 1.970 1.00 0.00 O ATOM 459 CB GLU A 32 7.785 4.121 1.662 1.00 0.00 C ATOM 460 CG GLU A 32 9.179 4.644 1.313 1.00 0.00 C ATOM 461 CD GLU A 32 9.738 5.514 2.441 1.00 0.00 C ATOM 462 OE1 GLU A 32 9.397 5.300 3.614 1.00 0.00 O ATOM 463 OE2 GLU A 32 10.555 6.437 2.064 1.00 0.00 O ATOM 0 H GLU A 32 6.768 5.710 3.479 1.00 0.00 H new ATOM 0 HA GLU A 32 6.986 5.746 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.766 3.791 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.555 3.251 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.850 3.805 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.133 5.223 0.391 1.00 0.00 H new ATOM 469 N HIS A 33 5.260 3.685 0.277 1.00 0.00 N ATOM 470 CA HIS A 33 4.006 3.013 -0.023 1.00 0.00 C ATOM 471 C HIS A 33 4.292 1.606 -0.552 1.00 0.00 C ATOM 472 O HIS A 33 4.817 0.761 0.171 1.00 0.00 O ATOM 473 CB HIS A 33 3.158 3.847 -0.984 1.00 0.00 C ATOM 474 CG HIS A 33 1.797 3.260 -1.270 1.00 0.00 C ATOM 475 ND1 HIS A 33 0.919 3.813 -2.187 1.00 0.00 N ATOM 476 CD2 HIS A 33 1.173 2.163 -0.753 1.00 0.00 C ATOM 477 CE1 HIS A 33 -0.181 3.075 -2.210 1.00 0.00 C ATOM 478 NE2 HIS A 33 -0.021 2.053 -1.321 1.00 0.00 N ATOM 0 H HIS A 33 6.043 3.411 -0.316 1.00 0.00 H new ATOM 0 HA HIS A 33 3.418 2.908 0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.031 4.846 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.698 3.960 -1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.582 1.497 -0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.051 3.252 -2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.707 1.324 -1.125 1.00 0.00 H new ATOM 485 N ILE A 34 3.934 1.398 -1.811 1.00 0.00 N ATOM 486 CA ILE A 34 4.145 0.109 -2.446 1.00 0.00 C ATOM 487 C ILE A 34 3.525 0.126 -3.845 1.00 0.00 C ATOM 488 O ILE A 34 2.781 1.043 -4.186 1.00 0.00 O ATOM 489 CB ILE A 34 3.622 -1.019 -1.556 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.725 -2.036 -1.252 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.389 -1.680 -2.174 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.153 -3.450 -1.138 1.00 0.00 C ATOM 0 H ILE A 34 3.499 2.101 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 34 5.211 -0.083 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 34 3.312 -0.586 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.478 -2.007 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.226 -1.767 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.038 -2.479 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.600 -0.937 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.649 -2.096 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.958 -4.152 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.418 -3.482 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.674 -3.726 -2.078 1.00 0.00 H new ATOM 503 N PRO A 35 3.864 -0.927 -4.637 1.00 0.00 N ATOM 504 CA PRO A 35 3.348 -1.041 -5.990 1.00 0.00 C ATOM 505 C PRO A 35 1.880 -1.474 -5.984 1.00 0.00 C ATOM 506 O PRO A 35 1.560 -2.601 -6.359 1.00 0.00 O ATOM 507 CB PRO A 35 4.261 -2.045 -6.675 1.00 0.00 C ATOM 508 CG PRO A 35 4.961 -2.801 -5.558 1.00 0.00 C ATOM 509 CD PRO A 35 4.744 -2.032 -4.266 1.00 0.00 C ATOM 0 HA PRO A 35 3.352 -0.090 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.690 -2.724 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.983 -1.541 -7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.561 -3.811 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.026 -2.897 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.289 -2.662 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.687 -1.668 -3.858 1.00 0.00 H new ATOM 514 N GLU A 36 1.028 -0.555 -5.552 1.00 0.00 N ATOM 515 CA GLU A 36 -0.398 -0.828 -5.492 1.00 0.00 C ATOM 516 C GLU A 36 -0.744 -1.552 -4.189 1.00 0.00 C ATOM 517 O GLU A 36 -0.466 -2.740 -4.042 1.00 0.00 O ATOM 518 CB GLU A 36 -0.853 -1.638 -6.707 1.00 0.00 C ATOM 519 CG GLU A 36 -2.146 -1.068 -7.293 1.00 0.00 C ATOM 520 CD GLU A 36 -3.089 -2.188 -7.737 1.00 0.00 C ATOM 521 OE1 GLU A 36 -3.428 -2.279 -8.926 1.00 0.00 O ATOM 522 OE2 GLU A 36 -3.470 -2.983 -6.795 1.00 0.00 O ATOM 0 H GLU A 36 1.298 0.378 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.932 0.122 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.071 -1.631 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.008 -2.678 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.642 -0.444 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.912 -0.427 -8.143 1.00 0.00 H new ATOM 528 N ALA A 37 -1.348 -0.804 -3.277 1.00 0.00 N ATOM 529 CA ALA A 37 -1.737 -1.360 -1.992 1.00 0.00 C ATOM 530 C ALA A 37 -2.566 -0.328 -1.225 1.00 0.00 C ATOM 531 O ALA A 37 -2.439 0.873 -1.457 1.00 0.00 O ATOM 532 CB ALA A 37 -0.486 -1.790 -1.223 1.00 0.00 C ATOM 0 H ALA A 37 -1.577 0.182 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.357 -2.246 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.777 -2.207 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.053 -2.544 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.159 -0.926 -1.065 1.00 0.00 H new ATOM 538 N ASP A 38 -3.398 -0.835 -0.327 1.00 0.00 N ATOM 539 CA ASP A 38 -4.249 0.028 0.476 1.00 0.00 C ATOM 540 C ASP A 38 -3.828 -0.070 1.943 1.00 0.00 C ATOM 541 O ASP A 38 -2.899 -0.803 2.279 1.00 0.00 O ATOM 542 CB ASP A 38 -5.716 -0.397 0.375 1.00 0.00 C ATOM 543 CG ASP A 38 -6.729 0.684 0.757 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.416 0.581 1.784 1.00 0.00 O ATOM 545 OD2 ASP A 38 -6.801 1.677 -0.062 1.00 0.00 O ATOM 0 H ASP A 38 -3.501 -1.832 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.142 1.047 0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.917 -0.717 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.873 -1.264 1.017 1.00 0.00 H new ATOM 550 N LEU A 39 -4.532 0.679 2.780 1.00 0.00 N ATOM 551 CA LEU A 39 -4.244 0.685 4.203 1.00 0.00 C ATOM 552 C LEU A 39 -5.066 -0.406 4.891 1.00 0.00 C ATOM 553 O LEU A 39 -6.293 -0.327 4.939 1.00 0.00 O ATOM 554 CB LEU A 39 -4.464 2.082 4.788 1.00 0.00 C ATOM 555 CG LEU A 39 -4.075 2.262 6.257 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.871 1.389 6.617 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.830 3.737 6.582 1.00 0.00 C ATOM 0 H LEU A 39 -5.302 1.286 2.498 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.194 0.452 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.897 2.797 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.517 2.339 4.677 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.910 1.930 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.616 1.536 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.118 0.341 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.021 1.667 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.555 3.837 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.022 4.118 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.738 4.308 6.389 1.00 0.00 H new ATOM 568 N ALA A 40 -4.358 -1.400 5.407 1.00 0.00 N ATOM 569 CA ALA A 40 -5.008 -2.506 6.090 1.00 0.00 C ATOM 570 C ALA A 40 -3.952 -3.340 6.820 1.00 0.00 C ATOM 571 O ALA A 40 -3.555 -4.400 6.342 1.00 0.00 O ATOM 572 CB ALA A 40 -5.806 -3.332 5.080 1.00 0.00 C ATOM 0 H ALA A 40 -3.341 -1.463 5.366 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.711 -2.136 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.293 -4.161 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.561 -2.702 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.133 -3.722 4.317 1.00 0.00 H new ATOM 578 N PRO A 41 -3.518 -2.814 7.997 1.00 0.00 N ATOM 579 CA PRO A 41 -2.517 -3.497 8.797 1.00 0.00 C ATOM 580 C PRO A 41 -3.122 -4.703 9.520 1.00 0.00 C ATOM 581 O PRO A 41 -4.333 -4.766 9.722 1.00 0.00 O ATOM 582 CB PRO A 41 -1.986 -2.439 9.750 1.00 0.00 C ATOM 583 CG PRO A 41 -3.028 -1.332 9.767 1.00 0.00 C ATOM 584 CD PRO A 41 -3.967 -1.559 8.594 1.00 0.00 C ATOM 0 HA PRO A 41 -1.709 -3.913 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.838 -2.851 10.748 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.020 -2.061 9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.581 -1.342 10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.549 -0.356 9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.004 -1.626 8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.913 -0.738 7.879 1.00 0.00 H new ATOM 589 N LEU A 42 -2.250 -5.629 9.889 1.00 0.00 N ATOM 590 CA LEU A 42 -2.682 -6.830 10.584 1.00 0.00 C ATOM 591 C LEU A 42 -3.521 -6.434 11.801 1.00 0.00 C ATOM 592 O LEU A 42 -4.285 -7.245 12.323 1.00 0.00 O ATOM 593 CB LEU A 42 -1.482 -7.714 10.926 1.00 0.00 C ATOM 594 CG LEU A 42 -1.806 -9.118 11.440 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.878 -9.784 10.574 1.00 0.00 C ATOM 596 CD2 LEU A 42 -0.540 -9.971 11.543 1.00 0.00 C ATOM 0 H LEU A 42 -1.246 -5.572 9.720 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.319 -7.435 9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.861 -7.809 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.883 -7.203 11.679 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.215 -9.028 12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.090 -10.781 10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.788 -9.185 10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.520 -9.861 9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.799 -10.964 11.911 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.079 -10.057 10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.161 -9.500 12.232 1.00 0.00 H new ATOM 607 N SER A 43 -3.351 -5.188 12.217 1.00 0.00 N ATOM 608 CA SER A 43 -4.083 -4.675 13.363 1.00 0.00 C ATOM 609 C SER A 43 -5.567 -4.541 13.018 1.00 0.00 C ATOM 610 O SER A 43 -6.417 -4.543 13.907 1.00 0.00 O ATOM 611 CB SER A 43 -3.519 -3.328 13.819 1.00 0.00 C ATOM 612 OG SER A 43 -3.436 -3.238 15.239 1.00 0.00 O ATOM 0 H SER A 43 -2.717 -4.518 11.781 1.00 0.00 H new ATOM 0 HA SER A 43 -3.970 -5.381 14.185 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.528 -3.185 13.388 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.150 -2.524 13.441 1.00 0.00 H new ATOM 0 HG SER A 43 -3.070 -2.364 15.491 1.00 0.00 H new ATOM 617 N VAL A 44 -5.833 -4.426 11.725 1.00 0.00 N ATOM 618 CA VAL A 44 -7.200 -4.290 11.252 1.00 0.00 C ATOM 619 C VAL A 44 -7.644 -5.603 10.604 1.00 0.00 C ATOM 620 O VAL A 44 -8.753 -6.076 10.848 1.00 0.00 O ATOM 621 CB VAL A 44 -7.311 -3.090 10.309 1.00 0.00 C ATOM 622 CG1 VAL A 44 -6.410 -1.944 10.772 1.00 0.00 C ATOM 623 CG2 VAL A 44 -6.990 -3.494 8.869 1.00 0.00 C ATOM 0 H VAL A 44 -5.125 -4.424 10.991 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.875 -4.094 12.085 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.342 -2.736 10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.508 -1.104 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.706 -1.630 11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.373 -2.280 10.789 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.076 -2.623 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.974 -3.885 8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.691 -4.262 8.542 1.00 0.00 H new ATOM 633 N LEU A 45 -6.755 -6.154 9.791 1.00 0.00 N ATOM 634 CA LEU A 45 -7.041 -7.403 9.105 1.00 0.00 C ATOM 635 C LEU A 45 -7.679 -8.385 10.090 1.00 0.00 C ATOM 636 O LEU A 45 -8.659 -9.052 9.760 1.00 0.00 O ATOM 637 CB LEU A 45 -5.780 -7.943 8.428 1.00 0.00 C ATOM 638 CG LEU A 45 -5.439 -7.338 7.064 1.00 0.00 C ATOM 639 CD1 LEU A 45 -5.712 -8.336 5.938 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.181 -6.017 6.852 1.00 0.00 C ATOM 0 H LEU A 45 -5.836 -5.759 9.592 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.761 -7.242 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.935 -7.781 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.889 -9.021 8.308 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.372 -7.116 7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.461 -7.881 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.103 -9.228 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.767 -8.612 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.922 -5.607 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.256 -6.192 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.894 -5.310 7.630 1.00 0.00 H new ATOM 651 N GLU A 46 -7.097 -8.443 11.279 1.00 0.00 N ATOM 652 CA GLU A 46 -7.597 -9.334 12.314 1.00 0.00 C ATOM 653 C GLU A 46 -8.961 -8.853 12.815 1.00 0.00 C ATOM 654 O GLU A 46 -9.810 -9.661 13.184 1.00 0.00 O ATOM 655 CB GLU A 46 -6.598 -9.447 13.468 1.00 0.00 C ATOM 656 CG GLU A 46 -5.803 -10.751 13.377 1.00 0.00 C ATOM 657 CD GLU A 46 -6.055 -11.634 14.601 1.00 0.00 C ATOM 658 OE1 GLU A 46 -7.216 -11.850 14.981 1.00 0.00 O ATOM 659 OE2 GLU A 46 -4.994 -12.103 15.163 1.00 0.00 O ATOM 0 H GLU A 46 -6.285 -7.888 11.549 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.720 -10.328 11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.915 -8.598 13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.129 -9.406 14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.083 -11.290 12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.739 -10.528 13.298 1.00 0.00 H new ATOM 665 N GLN A 47 -9.128 -7.538 12.809 1.00 0.00 N ATOM 666 CA GLN A 47 -10.374 -6.940 13.258 1.00 0.00 C ATOM 667 C GLN A 47 -11.451 -7.091 12.183 1.00 0.00 C ATOM 668 O GLN A 47 -12.621 -7.303 12.498 1.00 0.00 O ATOM 669 CB GLN A 47 -10.173 -5.471 13.632 1.00 0.00 C ATOM 670 CG GLN A 47 -10.243 -5.275 15.148 1.00 0.00 C ATOM 671 CD GLN A 47 -11.566 -5.804 15.708 1.00 0.00 C ATOM 672 OE1 GLN A 47 -12.623 -5.220 15.528 1.00 0.00 O ATOM 673 NE2 GLN A 47 -11.449 -6.936 16.393 1.00 0.00 N ATOM 0 H GLN A 47 -8.421 -6.870 12.500 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.706 -7.466 14.153 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.207 -5.127 13.262 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.936 -4.861 13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.410 -5.792 15.624 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.140 -4.216 15.387 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.534 -7.372 16.505 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.274 -7.369 16.807 1.00 0.00 H new ATOM 680 N SER A 48 -11.019 -6.974 10.936 1.00 0.00 N ATOM 681 CA SER A 48 -11.933 -7.095 9.812 1.00 0.00 C ATOM 682 C SER A 48 -11.420 -8.149 8.831 1.00 0.00 C ATOM 683 O SER A 48 -12.090 -9.150 8.582 1.00 0.00 O ATOM 684 CB SER A 48 -12.113 -5.751 9.103 1.00 0.00 C ATOM 685 OG SER A 48 -13.485 -5.373 9.016 1.00 0.00 O ATOM 0 H SER A 48 -10.048 -6.797 10.679 1.00 0.00 H new ATOM 0 HA SER A 48 -12.905 -7.407 10.193 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.558 -4.981 9.639 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.689 -5.810 8.101 1.00 0.00 H new ATOM 0 HG SER A 48 -13.558 -4.509 8.559 1.00 0.00 H new ATOM 690 N GLY A 49 -10.235 -7.888 8.298 1.00 0.00 N ATOM 691 CA GLY A 49 -9.623 -8.802 7.348 1.00 0.00 C ATOM 692 C GLY A 49 -9.861 -8.338 5.910 1.00 0.00 C ATOM 693 O GLY A 49 -10.082 -7.153 5.664 1.00 0.00 O ATOM 0 H GLY A 49 -9.682 -7.056 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.552 -8.868 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.034 -9.802 7.484 1.00 0.00 H new ATOM 697 N LEU A 50 -9.806 -9.297 4.997 1.00 0.00 N ATOM 698 CA LEU A 50 -10.014 -9.001 3.589 1.00 0.00 C ATOM 699 C LEU A 50 -11.181 -8.024 3.444 1.00 0.00 C ATOM 700 O LEU A 50 -12.330 -8.382 3.694 1.00 0.00 O ATOM 701 CB LEU A 50 -10.190 -10.294 2.791 1.00 0.00 C ATOM 702 CG LEU A 50 -10.646 -10.129 1.339 1.00 0.00 C ATOM 703 CD1 LEU A 50 -12.165 -9.968 1.256 1.00 0.00 C ATOM 704 CD2 LEU A 50 -9.909 -8.972 0.661 1.00 0.00 C ATOM 0 H LEU A 50 -9.621 -10.278 5.204 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.136 -8.511 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.242 -10.832 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.915 -10.922 3.310 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.389 -11.038 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.462 -9.853 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.648 -10.851 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.469 -9.086 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.251 -8.876 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.113 -8.046 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.837 -9.168 0.670 1.00 0.00 H new ATOM 715 N PRO A 51 -10.838 -6.775 3.028 1.00 0.00 N ATOM 716 CA PRO A 51 -11.845 -5.743 2.846 1.00 0.00 C ATOM 717 C PRO A 51 -12.652 -5.983 1.569 1.00 0.00 C ATOM 718 O PRO A 51 -12.386 -6.931 0.831 1.00 0.00 O ATOM 719 CB PRO A 51 -11.069 -4.437 2.822 1.00 0.00 C ATOM 720 CG PRO A 51 -9.627 -4.813 2.524 1.00 0.00 C ATOM 721 CD PRO A 51 -9.487 -6.314 2.721 1.00 0.00 C ATOM 0 HA PRO A 51 -12.588 -5.735 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.462 -3.763 2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.148 -3.919 3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.363 -4.536 1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.948 -4.276 3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.098 -6.797 1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.796 -6.544 3.532 1.00 0.00 H new ATOM 726 N ALA A 52 -13.623 -5.110 1.347 1.00 0.00 N ATOM 727 CA ALA A 52 -14.471 -5.215 0.172 1.00 0.00 C ATOM 728 C ALA A 52 -13.766 -4.563 -1.020 1.00 0.00 C ATOM 729 O ALA A 52 -13.680 -5.156 -2.094 1.00 0.00 O ATOM 730 CB ALA A 52 -15.830 -4.578 0.465 1.00 0.00 C ATOM 0 H ALA A 52 -13.842 -4.326 1.962 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.649 -6.260 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.466 -4.657 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.302 -5.095 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.692 -3.527 0.720 1.00 0.00 H new ATOM 736 N LYS A 53 -13.282 -3.352 -0.790 1.00 0.00 N ATOM 737 CA LYS A 53 -12.588 -2.614 -1.831 1.00 0.00 C ATOM 738 C LYS A 53 -11.470 -3.483 -2.409 1.00 0.00 C ATOM 739 O LYS A 53 -11.376 -3.655 -3.623 1.00 0.00 O ATOM 740 CB LYS A 53 -12.104 -1.263 -1.298 1.00 0.00 C ATOM 741 CG LYS A 53 -11.535 -1.404 0.116 1.00 0.00 C ATOM 742 CD LYS A 53 -12.352 -0.588 1.119 1.00 0.00 C ATOM 743 CE LYS A 53 -11.865 0.860 1.175 1.00 0.00 C ATOM 744 NZ LYS A 53 -12.986 1.795 0.934 1.00 0.00 N ATOM 0 H LYS A 53 -13.357 -2.863 0.102 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.268 -2.383 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.341 -0.858 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.931 -0.553 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.536 -2.454 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.497 -1.070 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.405 -0.610 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.276 -1.039 2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.419 1.062 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.086 1.017 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.637 2.774 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.394 1.613 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.716 1.657 1.662 1.00 0.00 H new ATOM 753 N LEU A 54 -10.649 -4.009 -1.512 1.00 0.00 N ATOM 754 CA LEU A 54 -9.541 -4.857 -1.917 1.00 0.00 C ATOM 755 C LEU A 54 -9.952 -6.325 -1.780 1.00 0.00 C ATOM 756 O LEU A 54 -9.159 -7.156 -1.339 1.00 0.00 O ATOM 757 CB LEU A 54 -8.276 -4.497 -1.135 1.00 0.00 C ATOM 758 CG LEU A 54 -8.032 -3.003 -0.906 1.00 0.00 C ATOM 759 CD1 LEU A 54 -8.687 -2.166 -2.006 1.00 0.00 C ATOM 760 CD2 LEU A 54 -8.492 -2.580 0.489 1.00 0.00 C ATOM 0 H LEU A 54 -10.729 -3.864 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.297 -4.690 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.320 -4.991 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.416 -4.909 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.959 -2.820 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.499 -1.109 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.268 -2.444 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.762 -2.348 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.307 -1.514 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.558 -2.780 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.939 -3.143 1.241 1.00 0.00 H new ATOM 771 N ARG A 55 -11.188 -6.598 -2.167 1.00 0.00 N ATOM 772 CA ARG A 55 -11.712 -7.952 -2.094 1.00 0.00 C ATOM 773 C ARG A 55 -11.614 -8.634 -3.460 1.00 0.00 C ATOM 774 O ARG A 55 -12.072 -9.763 -3.628 1.00 0.00 O ATOM 775 CB ARG A 55 -13.172 -7.952 -1.636 1.00 0.00 C ATOM 776 CG ARG A 55 -14.122 -8.051 -2.832 1.00 0.00 C ATOM 777 CD ARG A 55 -15.457 -7.365 -2.530 1.00 0.00 C ATOM 778 NE ARG A 55 -16.055 -6.851 -3.782 1.00 0.00 N ATOM 779 CZ ARG A 55 -17.174 -6.096 -3.831 1.00 0.00 C ATOM 780 NH1 ARG A 55 -17.825 -5.761 -2.697 1.00 0.00 N ATOM 781 NH2 ARG A 55 -17.621 -5.691 -5.005 1.00 0.00 N ATOM 0 H ARG A 55 -11.842 -5.906 -2.532 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.114 -8.501 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.345 -8.789 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.381 -7.041 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.662 -7.590 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.295 -9.099 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.138 -8.070 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.304 -6.546 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.594 -7.081 -4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.473 -6.078 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.669 -5.191 -2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.123 -5.949 -5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.465 -5.120 -5.060 1.00 0.00 H new ATOM 791 N HIS A 56 -11.013 -7.920 -4.400 1.00 0.00 N ATOM 792 CA HIS A 56 -10.848 -8.443 -5.746 1.00 0.00 C ATOM 793 C HIS A 56 -10.490 -9.930 -5.679 1.00 0.00 C ATOM 794 O HIS A 56 -9.946 -10.397 -4.679 1.00 0.00 O ATOM 795 CB HIS A 56 -9.820 -7.621 -6.527 1.00 0.00 C ATOM 796 CG HIS A 56 -10.052 -7.605 -8.019 1.00 0.00 C ATOM 797 ND1 HIS A 56 -9.045 -7.853 -8.936 1.00 0.00 N ATOM 798 CD2 HIS A 56 -11.183 -7.369 -8.743 1.00 0.00 C ATOM 799 CE1 HIS A 56 -9.560 -7.767 -10.154 1.00 0.00 C ATOM 800 NE2 HIS A 56 -10.885 -7.466 -10.032 1.00 0.00 N ATOM 0 H HIS A 56 -10.634 -6.984 -4.257 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.788 -8.355 -6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.833 -6.596 -6.157 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.825 -8.019 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.157 -7.141 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.025 -7.910 -11.081 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.539 -7.337 -10.804 1.00 0.00 H new ATOM 807 N GLU A 57 -10.811 -10.632 -6.755 1.00 0.00 N ATOM 808 CA GLU A 57 -10.531 -12.056 -6.832 1.00 0.00 C ATOM 809 C GLU A 57 -9.131 -12.350 -6.290 1.00 0.00 C ATOM 810 O GLU A 57 -8.986 -12.891 -5.194 1.00 0.00 O ATOM 811 CB GLU A 57 -10.684 -12.569 -8.264 1.00 0.00 C ATOM 812 CG GLU A 57 -11.936 -13.435 -8.406 1.00 0.00 C ATOM 813 CD GLU A 57 -11.966 -14.140 -9.765 1.00 0.00 C ATOM 814 OE1 GLU A 57 -11.935 -13.473 -10.810 1.00 0.00 O ATOM 815 OE2 GLU A 57 -12.021 -15.427 -9.710 1.00 0.00 O ATOM 0 H GLU A 57 -11.263 -10.241 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.258 -12.584 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.741 -11.725 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.804 -13.148 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.962 -14.176 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.826 -12.815 -8.294 1.00 0.00 H new ATOM 821 N GLN A 58 -8.135 -11.983 -7.082 1.00 0.00 N ATOM 822 CA GLN A 58 -6.751 -12.202 -6.695 1.00 0.00 C ATOM 823 C GLN A 58 -6.219 -10.994 -5.923 1.00 0.00 C ATOM 824 O GLN A 58 -6.329 -9.859 -6.384 1.00 0.00 O ATOM 825 CB GLN A 58 -5.880 -12.497 -7.918 1.00 0.00 C ATOM 826 CG GLN A 58 -5.946 -13.980 -8.292 1.00 0.00 C ATOM 827 CD GLN A 58 -5.764 -14.173 -9.799 1.00 0.00 C ATOM 828 OE1 GLN A 58 -5.225 -13.332 -10.498 1.00 0.00 O ATOM 829 NE2 GLN A 58 -6.243 -15.325 -10.257 1.00 0.00 N ATOM 0 H GLN A 58 -8.258 -11.535 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.710 -13.074 -6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.212 -11.890 -8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.848 -12.216 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.172 -14.529 -7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.905 -14.395 -7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.683 -15.985 -9.616 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.171 -15.549 -11.249 1.00 0.00 H new ATOM 836 N ILE A 59 -5.653 -11.277 -4.758 1.00 0.00 N ATOM 837 CA ILE A 59 -5.104 -10.228 -3.917 1.00 0.00 C ATOM 838 C ILE A 59 -3.730 -10.661 -3.402 1.00 0.00 C ATOM 839 O ILE A 59 -3.381 -11.839 -3.467 1.00 0.00 O ATOM 840 CB ILE A 59 -6.090 -9.860 -2.807 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.602 -10.373 -1.450 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.498 -10.359 -3.136 1.00 0.00 C ATOM 843 CD1 ILE A 59 -6.477 -9.835 -0.315 1.00 0.00 C ATOM 0 H ILE A 59 -5.563 -12.219 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.955 -9.315 -4.494 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.142 -8.773 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.618 -11.463 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.567 -10.068 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.179 -10.084 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.836 -9.906 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.484 -11.443 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.110 -10.214 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.439 -8.746 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.506 -10.162 -0.463 1.00 0.00 H new ATOM 854 N ILE A 60 -2.987 -9.685 -2.900 1.00 0.00 N ATOM 855 CA ILE A 60 -1.659 -9.951 -2.373 1.00 0.00 C ATOM 856 C ILE A 60 -1.510 -9.272 -1.011 1.00 0.00 C ATOM 857 O ILE A 60 -2.183 -8.281 -0.730 1.00 0.00 O ATOM 858 CB ILE A 60 -0.588 -9.538 -3.386 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.834 -10.200 -4.744 1.00 0.00 C ATOM 860 CG2 ILE A 60 0.815 -9.831 -2.851 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.395 -10.073 -5.646 1.00 0.00 C ATOM 0 H ILE A 60 -3.279 -8.709 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.520 -11.020 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.656 -8.461 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.077 -11.253 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.694 -9.737 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.557 -9.528 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.975 -9.275 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.914 -10.899 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.194 -10.551 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.621 -9.019 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.247 -10.558 -5.170 1.00 0.00 H new ATOM 872 N PHE A 61 -0.625 -9.831 -0.200 1.00 0.00 N ATOM 873 CA PHE A 61 -0.380 -9.293 1.127 1.00 0.00 C ATOM 874 C PHE A 61 1.118 -9.099 1.372 1.00 0.00 C ATOM 875 O PHE A 61 1.914 -10.004 1.125 1.00 0.00 O ATOM 876 CB PHE A 61 -0.921 -10.312 2.132 1.00 0.00 C ATOM 877 CG PHE A 61 -2.437 -10.244 2.330 1.00 0.00 C ATOM 878 CD1 PHE A 61 -3.020 -9.084 2.734 1.00 0.00 C ATOM 879 CD2 PHE A 61 -3.202 -11.346 2.101 1.00 0.00 C ATOM 880 CE1 PHE A 61 -4.426 -9.023 2.918 1.00 0.00 C ATOM 881 CE2 PHE A 61 -4.608 -11.285 2.285 1.00 0.00 C ATOM 882 CZ PHE A 61 -5.191 -10.124 2.690 1.00 0.00 C ATOM 0 H PHE A 61 -0.068 -10.652 -0.436 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.867 -8.323 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.653 -11.314 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.432 -10.155 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.413 -8.209 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.739 -12.267 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.889 -8.102 3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.215 -12.160 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.261 -10.077 2.830 1.00 0.00 H new ATOM 891 N HIS A 62 1.458 -7.914 1.855 1.00 0.00 N ATOM 892 CA HIS A 62 2.847 -7.589 2.137 1.00 0.00 C ATOM 893 C HIS A 62 2.949 -6.909 3.503 1.00 0.00 C ATOM 894 O HIS A 62 1.945 -6.456 4.051 1.00 0.00 O ATOM 895 CB HIS A 62 3.447 -6.748 1.009 1.00 0.00 C ATOM 896 CG HIS A 62 3.604 -5.286 1.350 1.00 0.00 C ATOM 897 ND1 HIS A 62 4.829 -4.710 1.638 1.00 0.00 N ATOM 898 CD2 HIS A 62 2.678 -4.289 1.446 1.00 0.00 C ATOM 899 CE1 HIS A 62 4.638 -3.424 1.895 1.00 0.00 C ATOM 900 NE2 HIS A 62 3.304 -3.165 1.776 1.00 0.00 N ATOM 0 H HIS A 62 0.796 -7.166 2.059 1.00 0.00 H new ATOM 0 HA HIS A 62 3.436 -8.505 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.423 -7.156 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.814 -6.839 0.126 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.616 -4.396 1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.404 -2.707 2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.860 -2.257 1.917 1.00 0.00 H new ATOM 907 N CYS A 63 4.170 -6.859 4.014 1.00 0.00 N ATOM 908 CA CYS A 63 4.416 -6.241 5.305 1.00 0.00 C ATOM 909 C CYS A 63 5.412 -5.096 5.109 1.00 0.00 C ATOM 910 O CYS A 63 5.361 -4.391 4.103 1.00 0.00 O ATOM 911 CB CYS A 63 4.913 -7.259 6.334 1.00 0.00 C ATOM 912 SG CYS A 63 6.583 -7.850 5.873 1.00 0.00 S ATOM 0 H CYS A 63 5.000 -7.237 3.557 1.00 0.00 H new ATOM 0 HA CYS A 63 3.482 -5.844 5.704 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.940 -6.804 7.324 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.222 -8.101 6.388 1.00 0.00 H new ATOM 0 HG CYS A 63 7.375 -7.759 6.900 1.00 0.00 H new ATOM 917 N GLN A 64 6.294 -4.947 6.087 1.00 0.00 N ATOM 918 CA GLN A 64 7.300 -3.900 6.033 1.00 0.00 C ATOM 919 C GLN A 64 8.619 -4.458 5.495 1.00 0.00 C ATOM 920 O GLN A 64 8.953 -4.256 4.329 1.00 0.00 O ATOM 921 CB GLN A 64 7.496 -3.258 7.407 1.00 0.00 C ATOM 922 CG GLN A 64 7.233 -1.752 7.352 1.00 0.00 C ATOM 923 CD GLN A 64 8.337 -0.975 8.073 1.00 0.00 C ATOM 924 OE1 GLN A 64 8.954 -1.451 9.013 1.00 0.00 O ATOM 925 NE2 GLN A 64 8.550 0.242 7.584 1.00 0.00 N ATOM 0 H GLN A 64 6.333 -5.534 6.921 1.00 0.00 H new ATOM 0 HA GLN A 64 6.952 -3.124 5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.823 -3.722 8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.512 -3.441 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.174 -1.427 6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.269 -1.531 7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.998 0.579 6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.266 0.840 7.997 1.00 0.00 H new ATOM 932 N ALA A 65 9.334 -5.150 6.371 1.00 0.00 N ATOM 933 CA ALA A 65 10.609 -5.738 5.999 1.00 0.00 C ATOM 934 C ALA A 65 11.047 -6.722 7.086 1.00 0.00 C ATOM 935 O ALA A 65 12.003 -6.460 7.816 1.00 0.00 O ATOM 936 CB ALA A 65 11.636 -4.627 5.769 1.00 0.00 C ATOM 0 H ALA A 65 9.054 -5.316 7.338 1.00 0.00 H new ATOM 0 HA ALA A 65 10.518 -6.295 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.593 -5.068 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.291 -3.972 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.757 -4.048 6.685 1.00 0.00 H new ATOM 942 N GLY A 66 10.329 -7.832 7.159 1.00 0.00 N ATOM 943 CA GLY A 66 10.633 -8.857 8.144 1.00 0.00 C ATOM 944 C GLY A 66 9.851 -10.141 7.858 1.00 0.00 C ATOM 945 O GLY A 66 9.507 -10.880 8.779 1.00 0.00 O ATOM 0 H GLY A 66 9.537 -8.045 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.702 -9.069 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.388 -8.492 9.141 1.00 0.00 H new ATOM 949 N LYS A 67 9.594 -10.366 6.579 1.00 0.00 N ATOM 950 CA LYS A 67 8.859 -11.548 6.161 1.00 0.00 C ATOM 951 C LYS A 67 7.741 -11.831 7.166 1.00 0.00 C ATOM 952 O LYS A 67 7.508 -12.981 7.534 1.00 0.00 O ATOM 953 CB LYS A 67 9.812 -12.727 5.954 1.00 0.00 C ATOM 954 CG LYS A 67 10.123 -12.928 4.470 1.00 0.00 C ATOM 955 CD LYS A 67 11.475 -13.619 4.281 1.00 0.00 C ATOM 956 CE LYS A 67 11.713 -13.966 2.811 1.00 0.00 C ATOM 957 NZ LYS A 67 12.322 -15.310 2.687 1.00 0.00 N ATOM 0 H LYS A 67 9.881 -9.751 5.818 1.00 0.00 H new ATOM 0 HA LYS A 67 8.384 -11.378 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.737 -12.551 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.367 -13.635 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.337 -13.526 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.130 -11.963 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.273 -12.968 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.511 -14.527 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.769 -13.937 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.366 -13.221 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.477 -15.530 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.233 -15.326 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.685 -16.019 3.102 1.00 0.00 H new ATOM 966 N ARG A 68 7.078 -10.760 7.581 1.00 0.00 N ATOM 967 CA ARG A 68 5.990 -10.879 8.536 1.00 0.00 C ATOM 968 C ARG A 68 4.862 -11.733 7.954 1.00 0.00 C ATOM 969 O ARG A 68 4.367 -12.646 8.611 1.00 0.00 O ATOM 970 CB ARG A 68 5.436 -9.503 8.913 1.00 0.00 C ATOM 971 CG ARG A 68 6.520 -8.630 9.548 1.00 0.00 C ATOM 972 CD ARG A 68 6.865 -9.121 10.956 1.00 0.00 C ATOM 973 NE ARG A 68 7.575 -8.059 11.703 1.00 0.00 N ATOM 974 CZ ARG A 68 7.618 -7.980 13.049 1.00 0.00 C ATOM 975 NH1 ARG A 68 6.991 -8.903 13.810 1.00 0.00 N ATOM 976 NH2 ARG A 68 8.283 -6.988 13.611 1.00 0.00 N ATOM 0 H ARG A 68 7.274 -9.807 7.273 1.00 0.00 H new ATOM 0 HA ARG A 68 6.386 -11.357 9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.041 -9.010 8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.605 -9.620 9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.414 -8.644 8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.179 -7.596 9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.955 -9.402 11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.488 -10.014 10.896 1.00 0.00 H new ATOM 0 HE ARG A 68 8.063 -7.342 11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.480 -9.667 13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.028 -8.836 14.827 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.755 -6.296 13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.325 -6.914 14.627 1.00 0.00 H new ATOM 986 N THR A 69 4.489 -11.405 6.726 1.00 0.00 N ATOM 987 CA THR A 69 3.429 -12.131 6.046 1.00 0.00 C ATOM 988 C THR A 69 3.724 -13.632 6.050 1.00 0.00 C ATOM 989 O THR A 69 2.807 -14.449 6.121 1.00 0.00 O ATOM 990 CB THR A 69 3.278 -11.544 4.642 1.00 0.00 C ATOM 991 OG1 THR A 69 4.619 -11.350 4.201 1.00 0.00 O ATOM 992 CG2 THR A 69 2.684 -10.134 4.657 1.00 0.00 C ATOM 0 H THR A 69 4.902 -10.646 6.184 1.00 0.00 H new ATOM 0 HA THR A 69 2.477 -12.018 6.564 1.00 0.00 H new ATOM 0 HB THR A 69 2.646 -12.198 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.615 -10.973 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.598 -9.764 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.696 -10.160 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.334 -9.472 5.229 1.00 0.00 H new ATOM 1000 N SER A 70 5.007 -13.951 5.969 1.00 0.00 N ATOM 1001 CA SER A 70 5.435 -15.339 5.962 1.00 0.00 C ATOM 1002 C SER A 70 5.485 -15.879 7.392 1.00 0.00 C ATOM 1003 O SER A 70 5.823 -17.041 7.610 1.00 0.00 O ATOM 1004 CB SER A 70 6.800 -15.491 5.288 1.00 0.00 C ATOM 1005 OG SER A 70 7.872 -15.227 6.189 1.00 0.00 O ATOM 0 H SER A 70 5.765 -13.271 5.908 1.00 0.00 H new ATOM 0 HA SER A 70 4.711 -15.917 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.899 -16.502 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.863 -14.810 4.439 1.00 0.00 H new ATOM 0 HG SER A 70 7.629 -14.481 6.777 1.00 0.00 H new ATOM 1010 N ASN A 71 5.145 -15.008 8.332 1.00 0.00 N ATOM 1011 CA ASN A 71 5.147 -15.384 9.736 1.00 0.00 C ATOM 1012 C ASN A 71 3.752 -15.872 10.131 1.00 0.00 C ATOM 1013 O ASN A 71 3.585 -16.507 11.171 1.00 0.00 O ATOM 1014 CB ASN A 71 5.500 -14.190 10.625 1.00 0.00 C ATOM 1015 CG ASN A 71 6.462 -14.602 11.741 1.00 0.00 C ATOM 1016 OD1 ASN A 71 6.064 -15.038 12.808 1.00 0.00 O ATOM 1017 ND2 ASN A 71 7.746 -14.440 11.436 1.00 0.00 N ATOM 0 H ASN A 71 4.867 -14.044 8.149 1.00 0.00 H new ATOM 0 HA ASN A 71 5.891 -16.169 9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.953 -13.404 10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.591 -13.774 11.059 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.466 -14.686 12.115 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.011 -14.069 10.523 1.00 0.00 H new ATOM 1023 N ASN A 72 2.787 -15.554 9.282 1.00 0.00 N ATOM 1024 CA ASN A 72 1.411 -15.952 9.529 1.00 0.00 C ATOM 1025 C ASN A 72 0.650 -15.996 8.203 1.00 0.00 C ATOM 1026 O ASN A 72 -0.569 -15.837 8.177 1.00 0.00 O ATOM 1027 CB ASN A 72 0.705 -14.952 10.446 1.00 0.00 C ATOM 1028 CG ASN A 72 1.343 -13.565 10.340 1.00 0.00 C ATOM 1029 OD1 ASN A 72 1.088 -12.806 9.419 1.00 0.00 O ATOM 1030 ND2 ASN A 72 2.183 -13.278 11.330 1.00 0.00 N ATOM 0 H ASN A 72 2.930 -15.025 8.422 1.00 0.00 H new ATOM 0 HA ASN A 72 1.425 -16.932 10.006 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.350 -14.892 10.180 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.755 -15.301 11.477 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.659 -12.376 11.349 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.351 -13.960 12.070 1.00 0.00 H new ATOM 1036 N ALA A 73 1.401 -16.211 7.133 1.00 0.00 N ATOM 1037 CA ALA A 73 0.813 -16.278 5.806 1.00 0.00 C ATOM 1038 C ALA A 73 -0.487 -17.083 5.868 1.00 0.00 C ATOM 1039 O ALA A 73 -1.393 -16.868 5.066 1.00 0.00 O ATOM 1040 CB ALA A 73 1.825 -16.879 4.829 1.00 0.00 C ATOM 0 H ALA A 73 2.412 -16.341 7.158 1.00 0.00 H new ATOM 0 HA ALA A 73 0.565 -15.280 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.384 -16.929 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.718 -16.254 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.096 -17.883 5.157 1.00 0.00 H new ATOM 1046 N ASP A 74 -0.535 -17.994 6.831 1.00 0.00 N ATOM 1047 CA ASP A 74 -1.709 -18.832 7.008 1.00 0.00 C ATOM 1048 C ASP A 74 -2.944 -17.944 7.179 1.00 0.00 C ATOM 1049 O ASP A 74 -3.906 -18.061 6.422 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.579 -19.705 8.258 1.00 0.00 C ATOM 1051 CG ASP A 74 -1.839 -21.196 8.036 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -2.652 -21.813 8.738 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -1.156 -21.731 7.082 1.00 0.00 O ATOM 0 H ASP A 74 0.219 -18.169 7.495 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.803 -19.470 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.575 -19.583 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.275 -19.339 9.013 1.00 0.00 H new ATOM 1058 N LYS A 75 -2.874 -17.075 8.176 1.00 0.00 N ATOM 1059 CA LYS A 75 -3.974 -16.168 8.456 1.00 0.00 C ATOM 1060 C LYS A 75 -4.239 -15.299 7.224 1.00 0.00 C ATOM 1061 O LYS A 75 -5.388 -15.115 6.826 1.00 0.00 O ATOM 1062 CB LYS A 75 -3.696 -15.364 9.728 1.00 0.00 C ATOM 1063 CG LYS A 75 -4.622 -15.798 10.865 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.092 -15.643 10.466 1.00 0.00 C ATOM 1065 CE LYS A 75 -6.752 -14.500 11.240 1.00 0.00 C ATOM 1066 NZ LYS A 75 -7.861 -15.013 12.075 1.00 0.00 N ATOM 0 H LYS A 75 -2.073 -16.980 8.800 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.888 -16.728 8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.657 -15.500 10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.833 -14.301 9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.420 -16.837 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.418 -15.200 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.164 -15.451 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.625 -16.574 10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.013 -14.005 11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.129 -13.751 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.298 -14.225 12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.573 -15.465 11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.492 -15.711 12.752 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.156 -14.789 6.657 1.00 0.00 N ATOM 1076 CA LEU A 76 -3.257 -13.944 5.478 1.00 0.00 C ATOM 1077 C LEU A 76 -4.196 -14.601 4.465 1.00 0.00 C ATOM 1078 O LEU A 76 -4.950 -13.915 3.776 1.00 0.00 O ATOM 1079 CB LEU A 76 -1.866 -13.637 4.919 1.00 0.00 C ATOM 1080 CG LEU A 76 -1.025 -12.643 5.724 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -1.300 -11.205 5.278 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -1.244 -12.830 7.226 1.00 0.00 C ATOM 0 H LEU A 76 -2.205 -14.944 6.991 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.692 -12.978 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.312 -14.573 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.980 -13.250 3.906 1.00 0.00 H new ATOM 0 HG LEU A 76 0.027 -12.846 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.690 -10.519 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.052 -11.098 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.354 -10.973 5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.635 -12.112 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.296 -12.670 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.958 -13.842 7.512 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.120 -15.922 4.404 1.00 0.00 N ATOM 1094 CA ALA A 77 -4.953 -16.679 3.485 1.00 0.00 C ATOM 1095 C ALA A 77 -6.410 -16.604 3.946 1.00 0.00 C ATOM 1096 O ALA A 77 -7.261 -16.062 3.242 1.00 0.00 O ATOM 1097 CB ALA A 77 -4.443 -18.119 3.400 1.00 0.00 C ATOM 0 H ALA A 77 -3.494 -16.488 4.977 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.901 -16.255 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.068 -18.686 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.414 -18.120 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.483 -18.578 4.388 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.654 -17.156 5.127 1.00 0.00 N ATOM 1104 CA ALA A 78 -7.993 -17.159 5.689 1.00 0.00 C ATOM 1105 C ALA A 78 -8.562 -15.738 5.649 1.00 0.00 C ATOM 1106 O ALA A 78 -9.777 -15.552 5.672 1.00 0.00 O ATOM 1107 CB ALA A 78 -7.949 -17.728 7.109 1.00 0.00 C ATOM 0 H ALA A 78 -5.946 -17.604 5.709 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.654 -17.796 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.954 -17.730 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.565 -18.748 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.297 -17.112 7.728 1.00 0.00 H new ATOM 1113 N ILE A 79 -7.655 -14.775 5.588 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.052 -13.376 5.543 1.00 0.00 C ATOM 1115 C ILE A 79 -8.775 -13.098 4.223 1.00 0.00 C ATOM 1116 O ILE A 79 -9.914 -12.635 4.222 1.00 0.00 O ATOM 1117 CB ILE A 79 -6.845 -12.470 5.786 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -6.674 -12.170 7.276 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -6.942 -11.191 4.951 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -5.217 -11.842 7.608 1.00 0.00 C ATOM 0 H ILE A 79 -6.648 -14.934 5.569 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.756 -13.153 6.345 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.950 -13.000 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.312 -11.332 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.999 -13.029 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.071 -10.564 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.977 -11.449 3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.847 -10.647 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.125 -11.633 8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.585 -12.691 7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.902 -10.968 7.038 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.083 -13.392 3.133 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.646 -13.179 1.810 1.00 0.00 C ATOM 1133 C ALA A 80 -8.748 -14.522 1.082 1.00 0.00 C ATOM 1134 O ALA A 80 -7.991 -14.786 0.149 1.00 0.00 O ATOM 1135 CB ALA A 80 -7.788 -12.167 1.048 1.00 0.00 C ATOM 0 H ALA A 80 -7.138 -13.776 3.138 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.652 -12.766 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.210 -12.007 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.770 -11.222 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.772 -12.550 0.953 1.00 0.00 H new ATOM 1141 N ALA A 81 -9.691 -15.335 1.536 1.00 0.00 N ATOM 1142 CA ALA A 81 -9.902 -16.642 0.939 1.00 0.00 C ATOM 1143 C ALA A 81 -11.379 -16.796 0.568 1.00 0.00 C ATOM 1144 O ALA A 81 -12.221 -16.027 1.026 1.00 0.00 O ATOM 1145 CB ALA A 81 -9.430 -17.728 1.908 1.00 0.00 C ATOM 0 H ALA A 81 -10.317 -15.113 2.310 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.319 -16.744 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.588 -18.709 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.369 -17.592 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.996 -17.658 2.837 1.00 0.00 H new ATOM 1151 N PRO A 82 -11.654 -17.821 -0.283 1.00 0.00 N ATOM 1152 CA PRO A 82 -10.596 -18.685 -0.779 1.00 0.00 C ATOM 1153 C PRO A 82 -9.765 -17.976 -1.849 1.00 0.00 C ATOM 1154 O PRO A 82 -8.841 -18.561 -2.412 1.00 0.00 O ATOM 1155 CB PRO A 82 -11.311 -19.920 -1.304 1.00 0.00 C ATOM 1156 CG PRO A 82 -12.760 -19.507 -1.509 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.973 -18.184 -0.792 1.00 0.00 C ATOM 0 HA PRO A 82 -9.877 -18.955 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.866 -20.261 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.236 -20.745 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.981 -19.405 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.433 -20.268 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.358 -17.423 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.696 -18.284 0.018 1.00 0.00 H new ATOM 1162 N ALA A 83 -10.123 -16.725 -2.098 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.422 -15.929 -3.091 1.00 0.00 C ATOM 1164 C ALA A 83 -7.929 -16.265 -3.047 1.00 0.00 C ATOM 1165 O ALA A 83 -7.402 -16.627 -1.996 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.691 -14.444 -2.839 1.00 0.00 C ATOM 0 H ALA A 83 -10.890 -16.243 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.784 -16.161 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.165 -13.847 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.761 -14.251 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.339 -14.174 -1.843 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.291 -16.133 -4.200 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.870 -16.419 -4.306 1.00 0.00 C ATOM 1174 C GLU A 84 -5.053 -15.288 -3.677 1.00 0.00 C ATOM 1175 O GLU A 84 -5.114 -14.146 -4.131 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.464 -16.644 -5.763 1.00 0.00 C ATOM 1177 CG GLU A 84 -5.867 -18.042 -6.236 1.00 0.00 C ATOM 1178 CD GLU A 84 -4.859 -19.092 -5.762 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -3.644 -18.859 -5.828 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -5.379 -20.183 -5.313 1.00 0.00 O ATOM 0 H GLU A 84 -7.732 -15.832 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.662 -17.339 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.936 -15.892 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.386 -16.518 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.859 -18.287 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.930 -18.058 -7.324 1.00 0.00 H new ATOM 1186 N ILE A 85 -4.308 -15.645 -2.641 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.480 -14.675 -1.946 1.00 0.00 C ATOM 1188 C ILE A 85 -2.007 -14.961 -2.244 1.00 0.00 C ATOM 1189 O ILE A 85 -1.624 -16.110 -2.456 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.813 -14.660 -0.452 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -5.002 -13.740 -0.165 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -2.585 -14.284 0.380 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -6.022 -13.790 -1.306 1.00 0.00 C ATOM 0 H ILE A 85 -4.261 -16.593 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.689 -13.668 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.106 -15.668 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.480 -14.038 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.651 -12.717 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.849 -14.281 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.791 -15.011 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.238 -13.292 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.857 -13.128 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.547 -13.468 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.389 -14.810 -1.421 1.00 0.00 H new ATOM 1204 N PHE A 86 -1.220 -13.895 -2.251 1.00 0.00 N ATOM 1205 CA PHE A 86 0.203 -14.017 -2.521 1.00 0.00 C ATOM 1206 C PHE A 86 1.008 -13.027 -1.675 1.00 0.00 C ATOM 1207 O PHE A 86 0.437 -12.145 -1.034 1.00 0.00 O ATOM 1208 CB PHE A 86 0.407 -13.689 -4.000 1.00 0.00 C ATOM 1209 CG PHE A 86 -0.556 -14.417 -4.939 1.00 0.00 C ATOM 1210 CD1 PHE A 86 -0.741 -15.759 -4.816 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.230 -13.724 -5.896 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -1.636 -16.436 -5.687 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -2.125 -14.400 -6.766 1.00 0.00 C ATOM 1214 CZ PHE A 86 -2.309 -15.742 -6.643 1.00 0.00 C ATOM 0 H PHE A 86 -1.541 -12.943 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 86 0.543 -15.023 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.293 -12.614 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.430 -13.941 -4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.207 -16.310 -4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.084 -12.658 -5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.782 -17.502 -5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.660 -13.849 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.990 -16.256 -7.305 1.00 0.00 H new ATOM 1223 N LEU A 87 2.320 -13.207 -1.700 1.00 0.00 N ATOM 1224 CA LEU A 87 3.208 -12.341 -0.944 1.00 0.00 C ATOM 1225 C LEU A 87 4.205 -11.681 -1.899 1.00 0.00 C ATOM 1226 O LEU A 87 4.866 -12.363 -2.681 1.00 0.00 O ATOM 1227 CB LEU A 87 3.871 -13.118 0.196 1.00 0.00 C ATOM 1228 CG LEU A 87 2.960 -14.061 0.984 1.00 0.00 C ATOM 1229 CD1 LEU A 87 3.777 -15.122 1.723 1.00 0.00 C ATOM 1230 CD2 LEU A 87 2.048 -13.277 1.930 1.00 0.00 C ATOM 0 H LEU A 87 2.790 -13.940 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 87 2.644 -11.539 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.693 -13.701 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.308 -12.401 0.892 1.00 0.00 H new ATOM 0 HG LEU A 87 2.317 -14.585 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.105 -15.779 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.348 -15.708 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.461 -14.635 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.410 -13.970 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.656 -12.709 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.427 -12.592 1.352 1.00 0.00 H new ATOM 1241 N LEU A 88 4.282 -10.362 -1.804 1.00 0.00 N ATOM 1242 CA LEU A 88 5.186 -9.602 -2.651 1.00 0.00 C ATOM 1243 C LEU A 88 6.586 -9.613 -2.032 1.00 0.00 C ATOM 1244 O LEU A 88 7.095 -8.571 -1.620 1.00 0.00 O ATOM 1245 CB LEU A 88 4.635 -8.196 -2.899 1.00 0.00 C ATOM 1246 CG LEU A 88 4.495 -7.781 -4.364 1.00 0.00 C ATOM 1247 CD1 LEU A 88 3.764 -6.443 -4.487 1.00 0.00 C ATOM 1248 CD2 LEU A 88 5.857 -7.755 -5.058 1.00 0.00 C ATOM 0 H LEU A 88 3.733 -9.800 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 88 5.266 -10.065 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.656 -8.122 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.286 -7.479 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 88 3.887 -8.528 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.678 -6.171 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.768 -6.531 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.324 -5.672 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.729 -7.457 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.509 -7.042 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.305 -8.748 -5.017 1.00 0.00 H new ATOM 1259 N GLU A 89 7.168 -10.802 -1.985 1.00 0.00 N ATOM 1260 CA GLU A 89 8.498 -10.962 -1.424 1.00 0.00 C ATOM 1261 C GLU A 89 8.420 -11.108 0.098 1.00 0.00 C ATOM 1262 O GLU A 89 9.163 -11.888 0.690 1.00 0.00 O ATOM 1263 CB GLU A 89 9.404 -9.792 -1.816 1.00 0.00 C ATOM 1264 CG GLU A 89 10.753 -10.293 -2.336 1.00 0.00 C ATOM 1265 CD GLU A 89 11.708 -10.594 -1.178 1.00 0.00 C ATOM 1266 OE1 GLU A 89 11.264 -11.014 -0.100 1.00 0.00 O ATOM 1267 OE2 GLU A 89 12.954 -10.377 -1.430 1.00 0.00 O ATOM 0 H GLU A 89 6.743 -11.664 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 89 8.936 -11.872 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.916 -9.190 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.561 -9.144 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.605 -11.192 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.195 -9.543 -2.992 1.00 0.00 H new ATOM 1273 N ASP A 90 7.510 -10.344 0.687 1.00 0.00 N ATOM 1274 CA ASP A 90 7.323 -10.379 2.127 1.00 0.00 C ATOM 1275 C ASP A 90 8.389 -9.508 2.796 1.00 0.00 C ATOM 1276 O ASP A 90 9.471 -9.990 3.129 1.00 0.00 O ATOM 1277 CB ASP A 90 7.470 -11.803 2.667 1.00 0.00 C ATOM 1278 CG ASP A 90 6.792 -12.886 1.826 1.00 0.00 C ATOM 1279 OD1 ASP A 90 6.464 -12.670 0.650 1.00 0.00 O ATOM 1280 OD2 ASP A 90 6.601 -14.009 2.434 1.00 0.00 O ATOM 0 H ASP A 90 6.895 -9.698 0.192 1.00 0.00 H new ATOM 0 HA ASP A 90 6.320 -10.012 2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.531 -12.037 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.059 -11.837 3.676 1.00 0.00 H new ATOM 1285 N GLY A 91 8.046 -8.240 2.972 1.00 0.00 N ATOM 1286 CA GLY A 91 8.960 -7.297 3.595 1.00 0.00 C ATOM 1287 C GLY A 91 9.330 -6.171 2.627 1.00 0.00 C ATOM 1288 O GLY A 91 10.422 -5.612 2.708 1.00 0.00 O ATOM 0 H GLY A 91 7.148 -7.844 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.500 -6.876 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.863 -7.817 3.915 1.00 0.00 H new ATOM 1292 N ILE A 92 8.398 -5.873 1.733 1.00 0.00 N ATOM 1293 CA ILE A 92 8.613 -4.823 0.751 1.00 0.00 C ATOM 1294 C ILE A 92 10.091 -4.792 0.359 1.00 0.00 C ATOM 1295 O ILE A 92 10.656 -3.722 0.138 1.00 0.00 O ATOM 1296 CB ILE A 92 8.086 -3.485 1.273 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.652 -2.579 0.119 1.00 0.00 C ATOM 1298 CG2 ILE A 92 9.116 -2.806 2.178 1.00 0.00 C ATOM 1299 CD1 ILE A 92 7.307 -1.177 0.624 1.00 0.00 C ATOM 0 H ILE A 92 7.493 -6.340 1.668 1.00 0.00 H new ATOM 0 HA ILE A 92 8.047 -5.029 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 92 7.202 -3.679 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.451 -2.517 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 92 6.787 -3.012 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.717 -1.857 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.334 -3.451 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.032 -2.625 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.002 -0.553 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.492 -1.240 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.182 -0.738 1.104 1.00 0.00 H new ATOM 1310 N ASP A 93 10.676 -5.978 0.283 1.00 0.00 N ATOM 1311 CA ASP A 93 12.078 -6.101 -0.078 1.00 0.00 C ATOM 1312 C ASP A 93 12.187 -6.562 -1.533 1.00 0.00 C ATOM 1313 O ASP A 93 13.288 -6.731 -2.053 1.00 0.00 O ATOM 1314 CB ASP A 93 12.786 -7.134 0.801 1.00 0.00 C ATOM 1315 CG ASP A 93 14.038 -7.759 0.183 1.00 0.00 C ATOM 1316 OD1 ASP A 93 14.166 -8.990 0.104 1.00 0.00 O ATOM 1317 OD2 ASP A 93 14.919 -6.914 -0.234 1.00 0.00 O ATOM 0 H ASP A 93 10.204 -6.864 0.466 1.00 0.00 H new ATOM 0 HA ASP A 93 12.548 -5.128 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.062 -6.660 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.081 -7.930 1.040 1.00 0.00 H new ATOM 1322 N GLY A 94 11.029 -6.754 -2.148 1.00 0.00 N ATOM 1323 CA GLY A 94 10.980 -7.194 -3.532 1.00 0.00 C ATOM 1324 C GLY A 94 10.810 -6.004 -4.478 1.00 0.00 C ATOM 1325 O GLY A 94 11.589 -5.835 -5.415 1.00 0.00 O ATOM 0 H GLY A 94 10.117 -6.613 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.895 -7.732 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.154 -7.892 -3.667 1.00 0.00 H new ATOM 1329 N TRP A 95 9.787 -5.209 -4.201 1.00 0.00 N ATOM 1330 CA TRP A 95 9.504 -4.040 -5.016 1.00 0.00 C ATOM 1331 C TRP A 95 10.828 -3.326 -5.293 1.00 0.00 C ATOM 1332 O TRP A 95 11.128 -2.987 -6.437 1.00 0.00 O ATOM 1333 CB TRP A 95 8.468 -3.139 -4.342 1.00 0.00 C ATOM 1334 CG TRP A 95 8.230 -1.812 -5.067 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.386 -0.571 -4.588 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.787 -1.646 -6.430 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.075 0.381 -5.538 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.700 -0.294 -6.694 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.470 -2.605 -7.407 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.297 0.221 -7.932 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 7.068 -2.074 -8.639 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.976 -0.716 -8.921 1.00 0.00 C ATOM 0 H TRP A 95 9.143 -5.352 -3.423 1.00 0.00 H new ATOM 0 HA TRP A 95 9.060 -4.331 -5.968 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.523 -3.678 -4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.791 -2.931 -3.322 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.714 -0.344 -3.584 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.113 1.393 -5.415 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.531 -3.667 -7.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.237 1.284 -8.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.811 -2.769 -9.425 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.658 -0.385 -9.899 1.00 0.00 H new ATOM 1352 N LYS A 96 11.586 -3.117 -4.226 1.00 0.00 N ATOM 1353 CA LYS A 96 12.871 -2.450 -4.339 1.00 0.00 C ATOM 1354 C LYS A 96 13.848 -3.357 -5.088 1.00 0.00 C ATOM 1355 O LYS A 96 14.667 -2.880 -5.873 1.00 0.00 O ATOM 1356 CB LYS A 96 13.372 -2.012 -2.961 1.00 0.00 C ATOM 1357 CG LYS A 96 13.889 -0.573 -2.997 1.00 0.00 C ATOM 1358 CD LYS A 96 15.328 -0.495 -2.482 1.00 0.00 C ATOM 1359 CE LYS A 96 15.375 -0.652 -0.961 1.00 0.00 C ATOM 1360 NZ LYS A 96 16.759 -0.482 -0.465 1.00 0.00 N ATOM 0 H LYS A 96 11.334 -3.398 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 96 12.774 -1.535 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.564 -2.094 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 96 14.168 -2.680 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.843 -0.191 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.246 0.064 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.928 -1.275 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.769 0.461 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.722 0.084 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.000 -1.636 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.773 -0.592 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.374 -1.201 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.104 0.466 -0.717 1.00 0.00 H new ATOM 1369 N LYS A 97 13.731 -4.649 -4.821 1.00 0.00 N ATOM 1370 CA LYS A 97 14.594 -5.627 -5.460 1.00 0.00 C ATOM 1371 C LYS A 97 14.725 -5.292 -6.947 1.00 0.00 C ATOM 1372 O LYS A 97 15.834 -5.188 -7.468 1.00 0.00 O ATOM 1373 CB LYS A 97 14.086 -7.046 -5.193 1.00 0.00 C ATOM 1374 CG LYS A 97 15.177 -8.082 -5.472 1.00 0.00 C ATOM 1375 CD LYS A 97 14.958 -8.756 -6.827 1.00 0.00 C ATOM 1376 CE LYS A 97 16.293 -9.049 -7.515 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.806 -10.378 -7.110 1.00 0.00 N ATOM 0 H LYS A 97 13.051 -5.042 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 97 15.596 -5.586 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.757 -7.129 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.218 -7.249 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.154 -7.600 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.179 -8.835 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.404 -9.685 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.350 -8.113 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.166 -9.016 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.019 -8.278 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.712 -10.560 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.946 -10.397 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.120 -11.112 -7.379 1.00 0.00 H new ATOM 1386 N ALA A 98 13.576 -5.130 -7.588 1.00 0.00 N ATOM 1387 CA ALA A 98 13.549 -4.808 -9.004 1.00 0.00 C ATOM 1388 C ALA A 98 14.154 -3.419 -9.219 1.00 0.00 C ATOM 1389 O ALA A 98 14.760 -3.156 -10.256 1.00 0.00 O ATOM 1390 CB ALA A 98 12.112 -4.905 -9.523 1.00 0.00 C ATOM 0 H ALA A 98 12.658 -5.216 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 98 14.149 -5.520 -9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.092 -4.663 -10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.739 -5.918 -9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.481 -4.202 -8.979 1.00 0.00 H new ATOM 1396 N GLY A 99 13.969 -2.568 -8.221 1.00 0.00 N ATOM 1397 CA GLY A 99 14.488 -1.213 -8.288 1.00 0.00 C ATOM 1398 C GLY A 99 13.412 -0.235 -8.762 1.00 0.00 C ATOM 1399 O GLY A 99 13.661 0.591 -9.639 1.00 0.00 O ATOM 0 H GLY A 99 13.467 -2.791 -7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.852 -0.911 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.339 -1.179 -8.968 1.00 0.00 H new ATOM 1403 N LEU A 100 12.238 -0.360 -8.161 1.00 0.00 N ATOM 1404 CA LEU A 100 11.122 0.502 -8.510 1.00 0.00 C ATOM 1405 C LEU A 100 10.787 1.404 -7.321 1.00 0.00 C ATOM 1406 O LEU A 100 10.720 0.939 -6.185 1.00 0.00 O ATOM 1407 CB LEU A 100 9.936 -0.330 -9.005 1.00 0.00 C ATOM 1408 CG LEU A 100 10.255 -1.390 -10.060 1.00 0.00 C ATOM 1409 CD1 LEU A 100 9.566 -2.715 -9.731 1.00 0.00 C ATOM 1410 CD2 LEU A 100 9.898 -0.892 -11.463 1.00 0.00 C ATOM 0 H LEU A 100 12.035 -1.046 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 100 11.391 1.156 -9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.482 -0.825 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.188 0.348 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 100 11.329 -1.573 -10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.809 -3.452 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.910 -3.073 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.487 -2.566 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.135 -1.665 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.833 -0.664 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.472 0.007 -11.687 1.00 0.00 H new ATOM 1421 N PRO A 101 10.580 2.711 -7.631 1.00 0.00 N ATOM 1422 CA PRO A 101 10.254 3.683 -6.600 1.00 0.00 C ATOM 1423 C PRO A 101 8.803 3.528 -6.140 1.00 0.00 C ATOM 1424 O PRO A 101 7.901 3.369 -6.962 1.00 0.00 O ATOM 1425 CB PRO A 101 10.534 5.037 -7.233 1.00 0.00 C ATOM 1426 CG PRO A 101 10.561 4.799 -8.733 1.00 0.00 C ATOM 1427 CD PRO A 101 10.651 3.299 -8.966 1.00 0.00 C ATOM 0 HA PRO A 101 10.847 3.551 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.763 5.760 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.484 5.442 -6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.663 5.205 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.413 5.307 -9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.835 2.947 -9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.581 3.031 -9.468 1.00 0.00 H new ATOM 1432 N VAL A 102 8.623 3.578 -4.829 1.00 0.00 N ATOM 1433 CA VAL A 102 7.298 3.444 -4.249 1.00 0.00 C ATOM 1434 C VAL A 102 6.545 4.768 -4.399 1.00 0.00 C ATOM 1435 O VAL A 102 7.047 5.705 -5.017 1.00 0.00 O ATOM 1436 CB VAL A 102 7.407 2.980 -2.796 1.00 0.00 C ATOM 1437 CG1 VAL A 102 8.428 1.849 -2.656 1.00 0.00 C ATOM 1438 CG2 VAL A 102 7.753 4.148 -1.870 1.00 0.00 C ATOM 0 H VAL A 102 9.374 3.710 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 102 6.725 2.682 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 102 6.434 2.592 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.486 1.538 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.120 1.003 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 102 9.406 2.199 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.824 3.789 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.707 4.580 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.974 4.908 -1.936 1.00 0.00 H new ATOM 1448 N ALA A 103 5.353 4.802 -3.821 1.00 0.00 N ATOM 1449 CA ALA A 103 4.526 5.996 -3.883 1.00 0.00 C ATOM 1450 C ALA A 103 5.030 7.014 -2.857 1.00 0.00 C ATOM 1451 O ALA A 103 4.287 7.419 -1.964 1.00 0.00 O ATOM 1452 CB ALA A 103 3.062 5.614 -3.655 1.00 0.00 C ATOM 0 H ALA A 103 4.940 4.023 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 103 4.593 6.460 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.441 6.509 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.745 4.912 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.956 5.149 -2.675 1.00 0.00 H new ATOM 1458 N VAL A 104 6.287 7.397 -3.020 1.00 0.00 N ATOM 1459 CA VAL A 104 6.899 8.359 -2.119 1.00 0.00 C ATOM 1460 C VAL A 104 6.495 9.773 -2.541 1.00 0.00 C ATOM 1461 O VAL A 104 7.255 10.465 -3.215 1.00 0.00 O ATOM 1462 CB VAL A 104 8.414 8.156 -2.086 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.807 7.135 -1.015 1.00 0.00 C ATOM 1464 CG2 VAL A 104 8.942 7.738 -3.460 1.00 0.00 C ATOM 0 H VAL A 104 6.899 7.059 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 104 6.543 8.208 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 104 8.874 9.110 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.890 7.009 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.481 7.489 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.331 6.179 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.022 7.600 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.471 6.802 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.710 8.513 -4.190 1.00 0.00 H new ATOM 1474 N ASN A 105 5.298 10.161 -2.125 1.00 0.00 N ATOM 1475 CA ASN A 105 4.784 11.481 -2.451 1.00 0.00 C ATOM 1476 C ASN A 105 4.376 11.514 -3.925 1.00 0.00 C ATOM 1477 O ASN A 105 5.153 11.131 -4.797 1.00 0.00 O ATOM 1478 CB ASN A 105 5.849 12.557 -2.231 1.00 0.00 C ATOM 1479 CG ASN A 105 5.209 13.936 -2.062 1.00 0.00 C ATOM 1480 OD1 ASN A 105 4.117 14.081 -1.537 1.00 0.00 O ATOM 1481 ND2 ASN A 105 5.946 14.937 -2.534 1.00 0.00 N ATOM 0 H ASN A 105 4.669 9.585 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 105 3.931 11.681 -1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.438 12.315 -1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.536 12.572 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.605 15.896 -2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.852 14.746 -2.962 1.00 0.00 H new ATOM 1487 N LYS A 106 3.155 11.976 -4.158 1.00 0.00 N ATOM 1488 CA LYS A 106 2.634 12.064 -5.511 1.00 0.00 C ATOM 1489 C LYS A 106 2.543 10.660 -6.111 1.00 0.00 C ATOM 1490 O LYS A 106 3.558 10.072 -6.482 1.00 0.00 O ATOM 1491 CB LYS A 106 3.472 13.036 -6.345 1.00 0.00 C ATOM 1492 CG LYS A 106 2.650 14.261 -6.750 1.00 0.00 C ATOM 1493 CD LYS A 106 3.091 14.791 -8.115 1.00 0.00 C ATOM 1494 CE LYS A 106 2.014 15.687 -8.730 1.00 0.00 C ATOM 1495 NZ LYS A 106 2.566 16.456 -9.868 1.00 0.00 N ATOM 0 H LYS A 106 2.512 12.293 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 106 1.624 12.474 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.345 13.352 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.841 12.530 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.592 13.999 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.762 15.043 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.019 15.353 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.299 13.956 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.175 15.078 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.627 16.371 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.822 17.059 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.351 17.052 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.913 15.799 -10.595 1.00 0.00 H new ATOM 1504 N SER A 107 1.317 10.161 -6.186 1.00 0.00 N ATOM 1505 CA SER A 107 1.080 8.837 -6.735 1.00 0.00 C ATOM 1506 C SER A 107 1.883 8.653 -8.024 1.00 0.00 C ATOM 1507 O SER A 107 2.242 9.629 -8.681 1.00 0.00 O ATOM 1508 CB SER A 107 -0.409 8.609 -6.999 1.00 0.00 C ATOM 1509 OG SER A 107 -0.924 7.514 -6.248 1.00 0.00 O ATOM 0 H SER A 107 0.478 10.650 -5.876 1.00 0.00 H new ATOM 0 HA SER A 107 1.408 8.099 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.964 9.513 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.564 8.424 -8.062 1.00 0.00 H new ATOM 0 HG SER A 107 -1.878 7.403 -6.444 1.00 0.00 H new ATOM 1514 N GLN A 108 2.142 7.394 -8.347 1.00 0.00 N ATOM 1515 CA GLN A 108 2.897 7.070 -9.546 1.00 0.00 C ATOM 1516 C GLN A 108 4.236 7.810 -9.547 1.00 0.00 C ATOM 1517 O GLN A 108 5.289 7.195 -9.712 1.00 0.00 O ATOM 1518 CB GLN A 108 2.090 7.392 -10.806 1.00 0.00 C ATOM 1519 CG GLN A 108 2.289 6.316 -11.874 1.00 0.00 C ATOM 1520 CD GLN A 108 3.483 6.648 -12.771 1.00 0.00 C ATOM 1521 OE1 GLN A 108 4.633 6.579 -12.367 1.00 0.00 O ATOM 1522 NE2 GLN A 108 3.149 7.008 -14.006 1.00 0.00 N ATOM 0 H GLN A 108 1.843 6.587 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 108 3.097 5.999 -9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.032 7.469 -10.555 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.395 8.361 -11.200 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.446 5.349 -11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 108 1.387 6.229 -12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.167 7.045 -14.278 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.875 7.247 -14.681 1.00 0.00 H new TER 1529 GLN A 108