USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot 180:sc= 0.366 USER MOD Set 1.2: A 69 THR OG1 : rot -50:sc= 1.22 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 97:sc= 0.696 USER MOD Single : A 4 THR OG1 : rot 39:sc= 0.139 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.0705 K(o=-0.07,f=-1) USER MOD Single : A 11 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.01) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0754 USER MOD Single : A 47 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.9!) USER MOD Single : A 48 SER OG : rot 24:sc= 0.113 USER MOD Single : A 53 LYS NZ :NH3+ -125:sc= 0.586 (180deg=0.345) USER MOD Single : A 56 HIS : no HE2:sc= 0.536 K(o=0.54,f=-2.5!) USER MOD Single : A 58 GLN : amide:sc= 0.625 K(o=0.62,f=-0.075) USER MOD Single : A 62 HIS : no HD1:sc= -4 K(o=-4,f=-5.9!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc=-0.00678 (180deg=-0.13) USER MOD Single : A 70 SER OG : rot 180:sc= 0.15 USER MOD Single : A 71 ASN : amide:sc= -0.0409 K(o=-0.041,f=-2.5!) USER MOD Single : A 72 ASN : amide:sc=-0.00639 X(o=-0.0064,f=-0.022) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.18) 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= -0.119 X(o=-0.12,f=-0.0044) 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= -0.164 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.827 -8.174 -8.953 1.00 0.00 N ATOM 2 CA ALA A 1 11.017 -6.949 -8.922 1.00 0.00 C ATOM 3 C ALA A 1 10.184 -6.933 -7.653 1.00 0.00 C ATOM 4 O ALA A 1 8.993 -7.274 -7.676 1.00 0.00 O ATOM 5 CB ALA A 1 10.193 -6.823 -10.210 1.00 0.00 C ATOM 0 H1 ALA A 1 12.400 -8.190 -9.821 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.454 -8.196 -8.124 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.201 -9.004 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 1 11.654 -6.065 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.598 -5.911 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.863 -6.784 -11.069 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.532 -7.684 -10.305 1.00 0.00 H new ATOM 11 N LEU A 2 10.797 -6.440 -6.567 1.00 0.00 N ATOM 12 CA LEU A 2 10.221 -6.353 -5.231 1.00 0.00 C ATOM 13 C LEU A 2 9.681 -7.744 -4.905 1.00 0.00 C ATOM 14 O LEU A 2 10.450 -8.695 -4.798 1.00 0.00 O ATOM 15 CB LEU A 2 9.173 -5.218 -5.129 1.00 0.00 C ATOM 16 CG LEU A 2 9.724 -3.795 -5.291 1.00 0.00 C ATOM 17 CD1 LEU A 2 8.563 -2.790 -5.303 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.724 -3.465 -4.181 1.00 0.00 C ATOM 0 H LEU A 2 11.749 -6.077 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 2 10.965 -6.075 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.410 -5.382 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.678 -5.290 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 2 10.256 -3.729 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.957 -1.780 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.895 -3.016 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.012 -2.860 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.099 -2.451 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.230 -3.540 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.556 -4.168 -4.220 1.00 0.00 H new ATOM 30 N THR A 3 8.368 -7.838 -4.767 1.00 0.00 N ATOM 31 CA THR A 3 7.591 -9.023 -4.483 1.00 0.00 C ATOM 32 C THR A 3 6.171 -8.699 -4.958 1.00 0.00 C ATOM 33 O THR A 3 5.733 -7.550 -4.857 1.00 0.00 O ATOM 34 CB THR A 3 7.600 -9.358 -2.973 1.00 0.00 C ATOM 35 OG1 THR A 3 8.877 -9.240 -2.373 1.00 0.00 O ATOM 36 CG2 THR A 3 7.117 -10.788 -2.743 1.00 0.00 C ATOM 0 H THR A 3 7.773 -7.015 -4.860 1.00 0.00 H new ATOM 0 HA THR A 3 8.002 -9.897 -4.987 1.00 0.00 H new ATOM 0 HB THR A 3 6.935 -8.628 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.956 -8.364 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.129 -11.009 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.101 -10.895 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.775 -11.483 -3.265 1.00 0.00 H new ATOM 44 N THR A 4 5.448 -9.674 -5.492 1.00 0.00 N ATOM 45 CA THR A 4 4.073 -9.533 -5.966 1.00 0.00 C ATOM 46 C THR A 4 3.369 -10.697 -5.294 1.00 0.00 C ATOM 47 O THR A 4 3.733 -11.837 -5.586 1.00 0.00 O ATOM 48 CB THR A 4 3.997 -9.572 -7.497 1.00 0.00 C ATOM 49 OG1 THR A 4 4.836 -10.586 -8.028 1.00 0.00 O ATOM 50 CG2 THR A 4 4.417 -8.240 -8.126 1.00 0.00 C ATOM 0 H THR A 4 5.813 -10.619 -5.612 1.00 0.00 H new ATOM 0 HA THR A 4 3.613 -8.577 -5.717 1.00 0.00 H new ATOM 0 HB THR A 4 2.955 -9.778 -7.740 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.792 -11.380 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.348 -8.312 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.758 -7.447 -7.773 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.444 -8.011 -7.842 1.00 0.00 H new ATOM 58 N ILE A 5 2.450 -10.402 -4.376 1.00 0.00 N ATOM 59 CA ILE A 5 1.725 -11.396 -3.599 1.00 0.00 C ATOM 60 C ILE A 5 0.230 -11.380 -3.883 1.00 0.00 C ATOM 61 O ILE A 5 -0.313 -10.383 -4.371 1.00 0.00 O ATOM 62 CB ILE A 5 2.065 -11.127 -2.112 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.562 -12.219 -1.149 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.615 -9.720 -1.648 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.400 -12.240 0.133 1.00 0.00 C ATOM 0 H ILE A 5 2.186 -9.443 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 5 2.033 -12.404 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 5 3.154 -11.161 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.516 -12.039 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.611 -13.192 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.877 -9.582 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.115 -8.961 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.536 -9.625 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.027 -13.019 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.441 -12.444 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.329 -11.273 0.630 1.00 0.00 H new ATOM 77 N SER A 6 -0.422 -12.498 -3.577 1.00 0.00 N ATOM 78 CA SER A 6 -1.852 -12.676 -3.736 1.00 0.00 C ATOM 79 C SER A 6 -2.533 -11.817 -2.655 1.00 0.00 C ATOM 80 O SER A 6 -2.046 -11.764 -1.520 1.00 0.00 O ATOM 81 CB SER A 6 -2.164 -14.166 -3.570 1.00 0.00 C ATOM 82 OG SER A 6 -1.441 -14.902 -4.540 1.00 0.00 O ATOM 0 H SER A 6 0.046 -13.323 -3.202 1.00 0.00 H new ATOM 0 HA SER A 6 -2.214 -12.365 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.893 -14.497 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.234 -14.341 -3.685 1.00 0.00 H new ATOM 0 HG SER A 6 -1.635 -15.857 -4.438 1.00 0.00 H new ATOM 88 N PRO A 7 -3.680 -11.181 -2.933 1.00 0.00 N ATOM 89 CA PRO A 7 -4.370 -10.329 -1.968 1.00 0.00 C ATOM 90 C PRO A 7 -4.915 -11.081 -0.752 1.00 0.00 C ATOM 91 O PRO A 7 -5.158 -10.474 0.285 1.00 0.00 O ATOM 92 CB PRO A 7 -5.487 -9.648 -2.755 1.00 0.00 C ATOM 93 CG PRO A 7 -5.761 -10.620 -3.901 1.00 0.00 C ATOM 94 CD PRO A 7 -4.370 -11.165 -4.206 1.00 0.00 C ATOM 0 HA PRO A 7 -3.670 -9.614 -1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.374 -9.492 -2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.179 -8.670 -3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.452 -11.410 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.199 -10.118 -4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.425 -12.165 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.850 -10.535 -4.928 1.00 0.00 H new ATOM 102 N HIS A 8 -5.099 -12.389 -0.875 1.00 0.00 N ATOM 103 CA HIS A 8 -5.605 -13.279 0.164 1.00 0.00 C ATOM 104 C HIS A 8 -4.507 -13.474 1.211 1.00 0.00 C ATOM 105 O HIS A 8 -4.757 -13.384 2.413 1.00 0.00 O ATOM 106 CB HIS A 8 -6.056 -14.598 -0.478 1.00 0.00 C ATOM 107 CG HIS A 8 -6.923 -14.396 -1.701 1.00 0.00 C ATOM 108 ND1 HIS A 8 -6.656 -14.871 -2.966 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.066 -13.644 -1.776 1.00 0.00 C ATOM 110 CE1 HIS A 8 -7.605 -14.402 -3.791 1.00 0.00 C ATOM 111 NE2 HIS A 8 -8.486 -13.650 -3.112 1.00 0.00 N ATOM 0 H HIS A 8 -4.890 -12.882 -1.743 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.474 -12.854 0.667 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.177 -15.180 -0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.607 -15.184 0.258 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -5.875 -15.473 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.554 -13.139 -0.955 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.653 -14.601 -4.851 1.00 0.00 H new ATOM 119 N ASP A 9 -3.272 -13.714 0.760 1.00 0.00 N ATOM 120 CA ASP A 9 -2.132 -13.873 1.665 1.00 0.00 C ATOM 121 C ASP A 9 -1.831 -12.508 2.261 1.00 0.00 C ATOM 122 O ASP A 9 -1.469 -12.387 3.427 1.00 0.00 O ATOM 123 CB ASP A 9 -0.899 -14.418 0.941 1.00 0.00 C ATOM 124 CG ASP A 9 -0.835 -15.921 1.148 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.650 -16.631 0.519 1.00 0.00 O ATOM 126 OD2 ASP A 9 0.037 -16.389 1.915 1.00 0.00 O ATOM 0 H ASP A 9 -3.037 -13.802 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.382 -14.596 2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.952 -14.185 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.005 -13.945 1.326 1.00 0.00 H new ATOM 131 N ALA A 10 -2.030 -11.451 1.474 1.00 0.00 N ATOM 132 CA ALA A 10 -1.813 -10.098 1.927 1.00 0.00 C ATOM 133 C ALA A 10 -2.815 -9.736 3.016 1.00 0.00 C ATOM 134 O ALA A 10 -2.451 -9.055 3.970 1.00 0.00 O ATOM 135 CB ALA A 10 -1.873 -9.171 0.731 1.00 0.00 C ATOM 0 H ALA A 10 -2.346 -11.520 0.507 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.827 -9.996 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.711 -8.144 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.100 -9.450 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.852 -9.251 0.258 1.00 0.00 H new ATOM 141 N GLN A 11 -4.059 -10.203 2.906 1.00 0.00 N ATOM 142 CA GLN A 11 -5.114 -9.983 3.885 1.00 0.00 C ATOM 143 C GLN A 11 -4.718 -10.679 5.200 1.00 0.00 C ATOM 144 O GLN A 11 -5.235 -10.335 6.266 1.00 0.00 O ATOM 145 CB GLN A 11 -6.415 -10.541 3.267 1.00 0.00 C ATOM 146 CG GLN A 11 -7.664 -10.533 4.155 1.00 0.00 C ATOM 147 CD GLN A 11 -8.788 -11.439 3.640 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.698 -12.078 2.593 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.865 -11.548 4.401 1.00 0.00 N ATOM 0 H GLN A 11 -4.365 -10.761 2.109 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.266 -8.930 4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.636 -9.968 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.228 -11.568 2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.387 -10.848 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.038 -9.512 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.933 -11.015 5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.627 -12.165 4.121 1.00 0.00 H new ATOM 158 N GLU A 12 -3.803 -11.652 5.133 1.00 0.00 N ATOM 159 CA GLU A 12 -3.328 -12.416 6.258 1.00 0.00 C ATOM 160 C GLU A 12 -2.268 -11.617 7.009 1.00 0.00 C ATOM 161 O GLU A 12 -2.504 -11.250 8.156 1.00 0.00 O ATOM 162 CB GLU A 12 -2.814 -13.761 5.715 1.00 0.00 C ATOM 163 CG GLU A 12 -2.967 -14.930 6.670 1.00 0.00 C ATOM 164 CD GLU A 12 -2.135 -14.803 7.943 1.00 0.00 C ATOM 165 OE1 GLU A 12 -0.935 -14.477 7.867 1.00 0.00 O ATOM 166 OE2 GLU A 12 -2.698 -15.048 9.033 1.00 0.00 O ATOM 0 H GLU A 12 -3.366 -11.928 4.254 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.117 -12.619 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.346 -13.992 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.760 -13.655 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.018 -15.028 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.685 -15.847 6.154 1.00 0.00 H new ATOM 173 N LEU A 13 -1.132 -11.324 6.367 1.00 0.00 N ATOM 174 CA LEU A 13 0.001 -10.589 6.937 1.00 0.00 C ATOM 175 C LEU A 13 -0.379 -9.205 7.457 1.00 0.00 C ATOM 176 O LEU A 13 0.085 -8.818 8.530 1.00 0.00 O ATOM 177 CB LEU A 13 1.181 -10.569 5.950 1.00 0.00 C ATOM 178 CG LEU A 13 0.834 -10.082 4.533 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.022 -8.588 4.300 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.638 -10.855 3.490 1.00 0.00 C ATOM 0 H LEU A 13 -0.971 -11.603 5.399 1.00 0.00 H new ATOM 0 HA LEU A 13 0.329 -11.128 7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.964 -9.929 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.595 -11.575 5.881 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.234 -10.274 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.752 -8.343 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.385 -8.030 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.064 -8.321 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.380 -10.497 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.703 -10.703 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.406 -11.917 3.566 1.00 0.00 H new ATOM 192 N ILE A 14 -1.254 -8.468 6.769 1.00 0.00 N ATOM 193 CA ILE A 14 -1.679 -7.151 7.235 1.00 0.00 C ATOM 194 C ILE A 14 -2.313 -7.283 8.625 1.00 0.00 C ATOM 195 O ILE A 14 -1.950 -6.547 9.540 1.00 0.00 O ATOM 196 CB ILE A 14 -2.587 -6.510 6.157 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.861 -5.347 5.469 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.993 -6.141 6.626 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.163 -5.283 3.970 1.00 0.00 C ATOM 0 H ILE A 14 -1.680 -8.762 5.890 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.838 -6.470 7.364 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.772 -7.290 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.156 -4.408 5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.786 -5.453 5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.549 -5.700 5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.508 -7.037 6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.927 -5.422 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.627 -4.444 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.843 -6.210 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.234 -5.149 3.820 1.00 0.00 H new ATOM 211 N ALA A 15 -3.212 -8.256 8.819 1.00 0.00 N ATOM 212 CA ALA A 15 -3.884 -8.489 10.093 1.00 0.00 C ATOM 213 C ALA A 15 -2.937 -9.039 11.173 1.00 0.00 C ATOM 214 O ALA A 15 -3.394 -9.354 12.278 1.00 0.00 O ATOM 215 CB ALA A 15 -5.083 -9.419 9.867 1.00 0.00 C ATOM 0 H ALA A 15 -3.493 -8.907 8.086 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.236 -7.530 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.589 -9.597 10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.777 -8.954 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.736 -10.368 9.458 1.00 0.00 H new ATOM 221 N ARG A 16 -1.644 -9.170 10.872 1.00 0.00 N ATOM 222 CA ARG A 16 -0.602 -9.666 11.762 1.00 0.00 C ATOM 223 C ARG A 16 0.418 -8.574 12.083 1.00 0.00 C ATOM 224 O ARG A 16 1.228 -8.773 12.991 1.00 0.00 O ATOM 225 CB ARG A 16 0.082 -10.875 11.131 1.00 0.00 C ATOM 226 CG ARG A 16 -0.908 -11.990 10.782 1.00 0.00 C ATOM 227 CD ARG A 16 -1.233 -12.900 11.969 1.00 0.00 C ATOM 228 NE ARG A 16 -1.654 -14.210 11.466 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.232 -15.408 11.861 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.618 -15.580 13.026 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.427 -16.435 11.053 1.00 0.00 N ATOM 0 H ARG A 16 -1.280 -8.919 9.953 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.064 -9.969 12.702 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.606 -10.562 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.834 -11.263 11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.831 -11.545 10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.496 -12.593 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.359 -13.007 12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.023 -12.458 12.576 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.354 -14.203 10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.460 -14.782 13.642 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.304 -16.510 13.305 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.890 -16.296 10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.115 -17.366 11.328 1.00 0.00 H new ATOM 245 N GLY A 17 0.423 -7.452 11.351 1.00 0.00 N ATOM 246 CA GLY A 17 1.337 -6.345 11.589 1.00 0.00 C ATOM 247 C GLY A 17 1.973 -5.730 10.345 1.00 0.00 C ATOM 248 O GLY A 17 2.598 -4.678 10.497 1.00 0.00 O ATOM 0 H GLY A 17 -0.216 -7.293 10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.799 -5.562 12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.133 -6.691 12.248 1.00 0.00 H new ATOM 252 N ALA A 18 1.887 -6.329 9.150 1.00 0.00 N ATOM 253 CA ALA A 18 2.491 -5.719 7.958 1.00 0.00 C ATOM 254 C ALA A 18 1.822 -4.361 7.708 1.00 0.00 C ATOM 255 O ALA A 18 0.628 -4.211 7.972 1.00 0.00 O ATOM 256 CB ALA A 18 2.322 -6.631 6.751 1.00 0.00 C ATOM 0 H ALA A 18 1.415 -7.218 8.984 1.00 0.00 H new ATOM 0 HA ALA A 18 3.559 -5.575 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.775 -6.164 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.809 -7.586 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.261 -6.796 6.566 1.00 0.00 H new ATOM 262 N LYS A 19 2.548 -3.352 7.211 1.00 0.00 N ATOM 263 CA LYS A 19 2.015 -2.025 6.966 1.00 0.00 C ATOM 264 C LYS A 19 1.979 -1.760 5.472 1.00 0.00 C ATOM 265 O LYS A 19 2.711 -2.410 4.725 1.00 0.00 O ATOM 266 CB LYS A 19 2.970 -1.056 7.670 1.00 0.00 C ATOM 267 CG LYS A 19 2.997 -1.118 9.205 1.00 0.00 C ATOM 268 CD LYS A 19 1.675 -0.728 9.884 1.00 0.00 C ATOM 269 CE LYS A 19 0.710 -1.901 10.103 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.568 -1.463 10.689 1.00 0.00 N ATOM 0 H LYS A 19 3.534 -3.445 6.968 1.00 0.00 H new ATOM 0 HA LYS A 19 0.998 -1.912 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.979 -1.243 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.706 -0.041 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.262 -2.130 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.785 -0.459 9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.896 -0.269 10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.177 0.029 9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.521 -2.397 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.176 -2.636 10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.129 -2.296 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.383 -0.880 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.097 -0.903 9.990 1.00 0.00 H new ATOM 284 N LEU A 20 1.141 -0.834 5.015 1.00 0.00 N ATOM 285 CA LEU A 20 1.034 -0.478 3.607 1.00 0.00 C ATOM 286 C LEU A 20 1.187 1.035 3.492 1.00 0.00 C ATOM 287 O LEU A 20 0.758 1.765 4.388 1.00 0.00 O ATOM 288 CB LEU A 20 -0.299 -1.002 3.062 1.00 0.00 C ATOM 289 CG LEU A 20 -0.393 -1.004 1.532 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.389 -2.090 1.125 1.00 0.00 C ATOM 291 CD2 LEU A 20 -0.819 0.342 0.932 1.00 0.00 C ATOM 0 H LEU A 20 0.512 -0.305 5.619 1.00 0.00 H new ATOM 0 HA LEU A 20 1.818 -0.935 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.454 -2.018 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.108 -0.392 3.464 1.00 0.00 H new ATOM 0 HG LEU A 20 0.605 -1.198 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.477 -2.115 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.038 -3.058 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.363 -1.873 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.862 0.259 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.802 0.616 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.096 1.109 1.209 1.00 0.00 H new ATOM 303 N ILE A 21 1.812 1.526 2.421 1.00 0.00 N ATOM 304 CA ILE A 21 2.010 2.955 2.199 1.00 0.00 C ATOM 305 C ILE A 21 1.226 3.378 0.964 1.00 0.00 C ATOM 306 O ILE A 21 1.352 2.779 -0.110 1.00 0.00 O ATOM 307 CB ILE A 21 3.503 3.298 2.050 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.399 2.779 3.189 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.710 4.812 1.918 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.942 3.133 4.614 1.00 0.00 C ATOM 0 H ILE A 21 2.196 0.939 1.681 1.00 0.00 H new ATOM 0 HA ILE A 21 1.643 3.504 3.066 1.00 0.00 H new ATOM 0 HB ILE A 21 3.809 2.781 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.465 1.694 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.405 3.172 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.774 5.026 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.179 5.177 1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.325 5.311 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.646 2.718 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.905 4.217 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.951 2.716 4.792 1.00 0.00 H new ATOM 322 N ASP A 22 0.433 4.433 1.139 1.00 0.00 N ATOM 323 CA ASP A 22 -0.401 5.036 0.114 1.00 0.00 C ATOM 324 C ASP A 22 0.472 5.961 -0.748 1.00 0.00 C ATOM 325 O ASP A 22 0.340 7.186 -0.666 1.00 0.00 O ATOM 326 CB ASP A 22 -1.546 5.838 0.767 1.00 0.00 C ATOM 327 CG ASP A 22 -2.753 5.041 1.250 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.651 5.668 1.865 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.900 3.847 0.939 1.00 0.00 O ATOM 0 H ASP A 22 0.354 4.907 2.039 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.841 4.259 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.137 6.384 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.894 6.580 0.049 1.00 0.00 H new ATOM 334 N ILE A 23 1.361 5.412 -1.586 1.00 0.00 N ATOM 335 CA ILE A 23 2.229 6.214 -2.461 1.00 0.00 C ATOM 336 C ILE A 23 1.400 6.654 -3.686 1.00 0.00 C ATOM 337 O ILE A 23 1.699 6.324 -4.831 1.00 0.00 O ATOM 338 CB ILE A 23 3.561 5.496 -2.808 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.416 4.191 -3.622 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.379 5.191 -1.545 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.121 4.271 -4.973 1.00 0.00 C ATOM 0 H ILE A 23 1.499 4.406 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 23 2.563 7.110 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 23 4.077 6.212 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.827 3.360 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.358 3.978 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.305 4.688 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.613 6.122 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.801 4.545 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.991 3.330 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.693 5.084 -5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.184 4.456 -4.818 1.00 0.00 H new ATOM 353 N ARG A 24 0.321 7.400 -3.459 1.00 0.00 N ATOM 354 CA ARG A 24 -0.603 7.879 -4.487 1.00 0.00 C ATOM 355 C ARG A 24 -0.962 9.337 -4.238 1.00 0.00 C ATOM 356 O ARG A 24 -0.210 10.213 -4.664 1.00 0.00 O ATOM 357 CB ARG A 24 -1.830 6.942 -4.580 1.00 0.00 C ATOM 358 CG ARG A 24 -2.260 6.373 -3.211 1.00 0.00 C ATOM 359 CD ARG A 24 -3.768 6.099 -3.127 1.00 0.00 C ATOM 360 NE ARG A 24 -4.247 6.115 -1.732 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.437 5.687 -1.281 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.362 5.247 -2.125 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.714 5.722 0.013 1.00 0.00 N ATOM 0 H ARG A 24 0.056 7.699 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.121 7.849 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.665 7.488 -5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.600 6.117 -5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.716 5.448 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.979 7.075 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.307 6.849 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.988 5.131 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.605 6.492 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.172 5.232 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.263 4.924 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.022 6.076 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.620 5.395 0.350 1.00 0.00 H new ATOM 377 N ASP A 25 -2.071 9.619 -3.559 1.00 0.00 N ATOM 378 CA ASP A 25 -2.536 10.966 -3.267 1.00 0.00 C ATOM 379 C ASP A 25 -3.511 10.902 -2.105 1.00 0.00 C ATOM 380 O ASP A 25 -4.136 9.867 -1.858 1.00 0.00 O ATOM 381 CB ASP A 25 -3.307 11.536 -4.471 1.00 0.00 C ATOM 382 CG ASP A 25 -2.481 12.494 -5.314 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.396 12.272 -6.540 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.922 13.464 -4.752 1.00 0.00 O ATOM 0 H ASP A 25 -2.686 8.895 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.673 11.592 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.648 10.712 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.197 12.053 -4.112 1.00 0.00 H new ATOM 389 N ALA A 26 -3.657 12.037 -1.427 1.00 0.00 N ATOM 390 CA ALA A 26 -4.559 12.204 -0.296 1.00 0.00 C ATOM 391 C ALA A 26 -6.010 12.270 -0.791 1.00 0.00 C ATOM 392 O ALA A 26 -6.932 11.826 -0.113 1.00 0.00 O ATOM 393 CB ALA A 26 -4.174 13.497 0.426 1.00 0.00 C ATOM 0 H ALA A 26 -3.138 12.885 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.478 11.360 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.835 13.648 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.143 13.427 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.269 14.339 -0.260 1.00 0.00 H new ATOM 399 N ASP A 27 -6.205 12.772 -2.013 1.00 0.00 N ATOM 400 CA ASP A 27 -7.513 12.918 -2.652 1.00 0.00 C ATOM 401 C ASP A 27 -8.159 11.563 -2.974 1.00 0.00 C ATOM 402 O ASP A 27 -9.343 11.488 -3.305 1.00 0.00 O ATOM 403 CB ASP A 27 -7.372 13.792 -3.907 1.00 0.00 C ATOM 404 CG ASP A 27 -8.383 14.931 -3.860 1.00 0.00 C ATOM 405 OD1 ASP A 27 -9.532 14.754 -4.319 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.036 16.017 -3.340 1.00 0.00 O ATOM 0 H ASP A 27 -5.436 13.096 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.186 13.410 -1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.361 14.194 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.531 13.189 -4.801 1.00 0.00 H new ATOM 411 N GLU A 28 -7.375 10.481 -2.908 1.00 0.00 N ATOM 412 CA GLU A 28 -7.837 9.121 -3.149 1.00 0.00 C ATOM 413 C GLU A 28 -8.339 8.559 -1.820 1.00 0.00 C ATOM 414 O GLU A 28 -9.403 7.950 -1.803 1.00 0.00 O ATOM 415 CB GLU A 28 -6.724 8.253 -3.750 1.00 0.00 C ATOM 416 CG GLU A 28 -6.090 8.831 -5.027 1.00 0.00 C ATOM 417 CD GLU A 28 -7.073 9.124 -6.170 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.692 9.865 -7.105 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.219 8.631 -6.141 1.00 0.00 O ATOM 0 H GLU A 28 -6.382 10.534 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.647 9.121 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.944 8.114 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.130 7.267 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.571 9.754 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.336 8.131 -5.388 1.00 0.00 H new ATOM 426 N TYR A 29 -7.591 8.791 -0.728 1.00 0.00 N ATOM 427 CA TYR A 29 -7.924 8.367 0.636 1.00 0.00 C ATOM 428 C TYR A 29 -9.325 8.906 0.987 1.00 0.00 C ATOM 429 O TYR A 29 -10.122 8.234 1.636 1.00 0.00 O ATOM 430 CB TYR A 29 -6.840 8.868 1.612 1.00 0.00 C ATOM 431 CG TYR A 29 -7.347 9.113 3.018 1.00 0.00 C ATOM 432 CD1 TYR A 29 -7.334 8.083 3.976 1.00 0.00 C ATOM 433 CD2 TYR A 29 -7.932 10.355 3.332 1.00 0.00 C ATOM 434 CE1 TYR A 29 -7.915 8.290 5.238 1.00 0.00 C ATOM 435 CE2 TYR A 29 -8.581 10.537 4.562 1.00 0.00 C ATOM 436 CZ TYR A 29 -8.588 9.501 5.516 1.00 0.00 C ATOM 437 OH TYR A 29 -9.249 9.673 6.688 1.00 0.00 O ATOM 0 H TYR A 29 -6.707 9.297 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.948 7.280 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.033 8.137 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.414 9.793 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.877 7.133 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.881 11.169 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.847 7.524 5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.076 11.472 4.778 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.652 10.566 6.708 1.00 0.00 H new ATOM 447 N LEU A 30 -9.630 10.129 0.539 1.00 0.00 N ATOM 448 CA LEU A 30 -10.899 10.814 0.744 1.00 0.00 C ATOM 449 C LEU A 30 -12.053 9.945 0.221 1.00 0.00 C ATOM 450 O LEU A 30 -13.088 9.775 0.872 1.00 0.00 O ATOM 451 CB LEU A 30 -10.786 12.150 -0.018 1.00 0.00 C ATOM 452 CG LEU A 30 -11.884 13.199 0.227 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.473 14.488 -0.496 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.281 12.790 -0.263 1.00 0.00 C ATOM 0 H LEU A 30 -8.967 10.687 0.001 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.108 10.997 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.826 12.601 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.764 11.928 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.966 13.322 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.235 15.252 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.520 14.839 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.371 14.290 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.990 13.589 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.251 12.610 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.594 11.880 0.249 1.00 0.00 H new ATOM 466 N ARG A 31 -11.892 9.416 -0.992 1.00 0.00 N ATOM 467 CA ARG A 31 -12.887 8.587 -1.653 1.00 0.00 C ATOM 468 C ARG A 31 -12.989 7.201 -1.045 1.00 0.00 C ATOM 469 O ARG A 31 -14.096 6.772 -0.718 1.00 0.00 O ATOM 470 CB ARG A 31 -12.552 8.482 -3.150 1.00 0.00 C ATOM 471 CG ARG A 31 -12.846 9.790 -3.892 1.00 0.00 C ATOM 472 CD ARG A 31 -14.353 9.951 -4.094 1.00 0.00 C ATOM 473 NE ARG A 31 -14.767 11.354 -4.164 1.00 0.00 N ATOM 474 CZ ARG A 31 -16.015 11.751 -4.430 1.00 0.00 C ATOM 475 NH1 ARG A 31 -16.974 10.871 -4.707 1.00 0.00 N ATOM 476 NH2 ARG A 31 -16.308 13.040 -4.411 1.00 0.00 N ATOM 0 H ARG A 31 -11.049 9.557 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.857 9.065 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.500 8.225 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.131 7.673 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.455 10.635 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.339 9.792 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.649 9.443 -5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.880 9.461 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.060 12.071 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.763 9.873 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.920 11.194 -4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.584 13.725 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.259 13.350 -4.613 1.00 0.00 H new ATOM 490 N GLU A 32 -11.874 6.498 -0.926 1.00 0.00 N ATOM 491 CA GLU A 32 -11.815 5.149 -0.394 1.00 0.00 C ATOM 492 C GLU A 32 -10.455 4.897 0.226 1.00 0.00 C ATOM 493 O GLU A 32 -9.577 5.754 0.175 1.00 0.00 O ATOM 494 CB GLU A 32 -12.024 4.119 -1.520 1.00 0.00 C ATOM 495 CG GLU A 32 -11.619 4.554 -2.938 1.00 0.00 C ATOM 496 CD GLU A 32 -11.506 3.374 -3.904 1.00 0.00 C ATOM 497 OE1 GLU A 32 -12.507 3.037 -4.574 1.00 0.00 O ATOM 498 OE2 GLU A 32 -10.431 2.736 -3.968 1.00 0.00 O ATOM 0 H GLU A 32 -10.962 6.861 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.600 5.046 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.463 3.220 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.078 3.843 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.353 5.263 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.663 5.077 -2.895 1.00 0.00 H new ATOM 505 N HIS A 33 -10.270 3.739 0.859 1.00 0.00 N ATOM 506 CA HIS A 33 -8.976 3.427 1.439 1.00 0.00 C ATOM 507 C HIS A 33 -8.506 2.115 0.822 1.00 0.00 C ATOM 508 O HIS A 33 -8.741 1.857 -0.360 1.00 0.00 O ATOM 509 CB HIS A 33 -8.907 3.506 2.973 1.00 0.00 C ATOM 510 CG HIS A 33 -9.522 4.675 3.711 1.00 0.00 C ATOM 511 ND1 HIS A 33 -9.973 5.874 3.205 1.00 0.00 N ATOM 512 CD2 HIS A 33 -9.672 4.728 5.072 1.00 0.00 C ATOM 513 CE1 HIS A 33 -10.421 6.610 4.236 1.00 0.00 C ATOM 514 NE2 HIS A 33 -10.263 5.954 5.403 1.00 0.00 N ATOM 0 H HIS A 33 -10.984 3.021 0.979 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.265 4.213 1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.371 2.600 3.363 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.853 3.469 3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.384 3.956 5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.851 7.596 4.142 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.520 6.282 6.334 1.00 0.00 H new ATOM 522 N ILE A 34 -7.831 1.290 1.596 1.00 0.00 N ATOM 523 CA ILE A 34 -7.260 0.014 1.198 1.00 0.00 C ATOM 524 C ILE A 34 -7.131 -0.850 2.471 1.00 0.00 C ATOM 525 O ILE A 34 -7.472 -0.355 3.554 1.00 0.00 O ATOM 526 CB ILE A 34 -5.875 0.387 0.585 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.546 -0.336 -0.740 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.796 0.407 1.669 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.121 -0.843 -0.969 1.00 0.00 C ATOM 0 H ILE A 34 -7.655 1.502 2.578 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.850 -0.554 0.479 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.920 1.414 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.218 -1.190 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.789 0.344 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.837 0.669 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.057 1.144 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.725 -0.578 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.059 -1.325 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.426 -0.004 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.861 -1.562 -0.192 1.00 0.00 H new ATOM 541 N PRO A 35 -6.668 -2.107 2.386 1.00 0.00 N ATOM 542 CA PRO A 35 -6.465 -2.957 3.535 1.00 0.00 C ATOM 543 C PRO A 35 -5.223 -2.455 4.293 1.00 0.00 C ATOM 544 O PRO A 35 -4.097 -2.692 3.867 1.00 0.00 O ATOM 545 CB PRO A 35 -6.307 -4.374 2.977 1.00 0.00 C ATOM 546 CG PRO A 35 -5.835 -4.205 1.532 1.00 0.00 C ATOM 547 CD PRO A 35 -6.252 -2.791 1.180 1.00 0.00 C ATOM 0 HA PRO A 35 -7.288 -2.946 4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.584 -4.945 3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.251 -4.918 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.757 -4.338 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.300 -4.936 0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.423 -2.259 0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.067 -2.808 0.457 1.00 0.00 H new ATOM 555 N GLU A 36 -5.452 -1.725 5.387 1.00 0.00 N ATOM 556 CA GLU A 36 -4.469 -1.167 6.325 1.00 0.00 C ATOM 557 C GLU A 36 -3.273 -0.365 5.755 1.00 0.00 C ATOM 558 O GLU A 36 -2.182 -0.904 5.557 1.00 0.00 O ATOM 559 CB GLU A 36 -3.989 -2.348 7.197 1.00 0.00 C ATOM 560 CG GLU A 36 -4.157 -2.166 8.713 1.00 0.00 C ATOM 561 CD GLU A 36 -3.443 -0.951 9.316 1.00 0.00 C ATOM 562 OE1 GLU A 36 -2.368 -0.528 8.839 1.00 0.00 O ATOM 563 OE2 GLU A 36 -3.911 -0.433 10.359 1.00 0.00 O ATOM 0 H GLU A 36 -6.405 -1.489 5.664 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.987 -0.383 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.532 -3.244 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.935 -2.527 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.221 -2.088 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.792 -3.064 9.212 1.00 0.00 H new ATOM 570 N ALA A 37 -3.426 0.952 5.549 1.00 0.00 N ATOM 571 CA ALA A 37 -2.342 1.800 5.040 1.00 0.00 C ATOM 572 C ALA A 37 -2.193 3.104 5.820 1.00 0.00 C ATOM 573 O ALA A 37 -3.027 3.428 6.670 1.00 0.00 O ATOM 574 CB ALA A 37 -2.553 2.094 3.561 1.00 0.00 C ATOM 0 H ALA A 37 -4.296 1.453 5.729 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.415 1.242 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.742 2.724 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.565 1.158 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.503 2.611 3.425 1.00 0.00 H new ATOM 580 N ASP A 38 -1.134 3.863 5.533 1.00 0.00 N ATOM 581 CA ASP A 38 -0.797 5.150 6.144 1.00 0.00 C ATOM 582 C ASP A 38 -0.569 6.140 4.995 1.00 0.00 C ATOM 583 O ASP A 38 0.098 5.799 4.009 1.00 0.00 O ATOM 584 CB ASP A 38 0.403 4.998 7.087 1.00 0.00 C ATOM 585 CG ASP A 38 0.419 6.076 8.175 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.024 5.801 9.333 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.924 7.193 7.934 1.00 0.00 O ATOM 0 H ASP A 38 -0.451 3.581 4.830 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.599 5.531 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.375 4.013 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.326 5.052 6.510 1.00 0.00 H new ATOM 592 N LEU A 39 -1.155 7.340 5.080 1.00 0.00 N ATOM 593 CA LEU A 39 -1.057 8.369 4.044 1.00 0.00 C ATOM 594 C LEU A 39 0.337 8.987 3.918 1.00 0.00 C ATOM 595 O LEU A 39 0.740 9.797 4.760 1.00 0.00 O ATOM 596 CB LEU A 39 -2.120 9.463 4.250 1.00 0.00 C ATOM 597 CG LEU A 39 -2.068 10.581 3.182 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.222 10.054 1.746 1.00 0.00 C ATOM 599 CD2 LEU A 39 -3.172 11.606 3.444 1.00 0.00 C ATOM 0 H LEU A 39 -1.717 7.625 5.882 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.248 7.858 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.109 9.005 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.987 9.907 5.237 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.081 11.037 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.177 10.888 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.417 9.353 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.182 9.547 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.128 12.389 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.143 11.114 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.033 12.047 4.431 1.00 0.00 H new ATOM 611 N ALA A 40 1.060 8.637 2.857 1.00 0.00 N ATOM 612 CA ALA A 40 2.389 9.138 2.545 1.00 0.00 C ATOM 613 C ALA A 40 2.599 8.982 1.032 1.00 0.00 C ATOM 614 O ALA A 40 3.120 7.949 0.609 1.00 0.00 O ATOM 615 CB ALA A 40 3.443 8.418 3.386 1.00 0.00 C ATOM 0 H ALA A 40 0.719 7.969 2.165 1.00 0.00 H new ATOM 0 HA ALA A 40 2.490 10.193 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.432 8.805 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.241 8.585 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.409 7.349 3.175 1.00 0.00 H new ATOM 621 N PRO A 41 2.172 9.970 0.219 1.00 0.00 N ATOM 622 CA PRO A 41 2.325 9.931 -1.231 1.00 0.00 C ATOM 623 C PRO A 41 3.803 9.955 -1.633 1.00 0.00 C ATOM 624 O PRO A 41 4.684 10.205 -0.803 1.00 0.00 O ATOM 625 CB PRO A 41 1.563 11.152 -1.760 1.00 0.00 C ATOM 626 CG PRO A 41 1.602 12.137 -0.597 1.00 0.00 C ATOM 627 CD PRO A 41 1.542 11.222 0.623 1.00 0.00 C ATOM 0 HA PRO A 41 1.926 9.010 -1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.038 11.565 -2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.539 10.897 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.511 12.739 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.761 12.830 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.065 11.666 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.511 11.057 0.936 1.00 0.00 H new ATOM 635 N LEU A 42 4.086 9.745 -2.926 1.00 0.00 N ATOM 636 CA LEU A 42 5.455 9.755 -3.442 1.00 0.00 C ATOM 637 C LEU A 42 6.163 11.059 -3.066 1.00 0.00 C ATOM 638 O LEU A 42 7.363 11.047 -2.818 1.00 0.00 O ATOM 639 CB LEU A 42 5.448 9.582 -4.968 1.00 0.00 C ATOM 640 CG LEU A 42 6.856 9.480 -5.587 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.519 8.133 -5.261 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.746 9.666 -7.101 1.00 0.00 C ATOM 0 H LEU A 42 3.376 9.565 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 42 5.998 8.923 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.884 8.684 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.923 10.425 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 42 7.484 10.262 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.510 8.096 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.609 8.024 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.909 7.322 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.737 9.596 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.104 8.890 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.319 10.645 -7.317 1.00 0.00 H new ATOM 654 N SER A 43 5.412 12.157 -2.967 1.00 0.00 N ATOM 655 CA SER A 43 5.884 13.481 -2.617 1.00 0.00 C ATOM 656 C SER A 43 6.823 13.422 -1.407 1.00 0.00 C ATOM 657 O SER A 43 7.991 13.793 -1.524 1.00 0.00 O ATOM 658 CB SER A 43 4.675 14.397 -2.389 1.00 0.00 C ATOM 659 OG SER A 43 3.671 14.137 -3.357 1.00 0.00 O ATOM 0 H SER A 43 4.407 12.137 -3.139 1.00 0.00 H new ATOM 0 HA SER A 43 6.472 13.898 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.274 14.239 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.985 15.440 -2.447 1.00 0.00 H new ATOM 0 HG SER A 43 2.904 14.727 -3.200 1.00 0.00 H new ATOM 665 N VAL A 44 6.338 12.933 -0.261 1.00 0.00 N ATOM 666 CA VAL A 44 7.133 12.831 0.958 1.00 0.00 C ATOM 667 C VAL A 44 8.215 11.760 0.839 1.00 0.00 C ATOM 668 O VAL A 44 9.336 11.969 1.309 1.00 0.00 O ATOM 669 CB VAL A 44 6.214 12.655 2.175 1.00 0.00 C ATOM 670 CG1 VAL A 44 5.188 11.518 2.100 1.00 0.00 C ATOM 671 CG2 VAL A 44 7.038 12.571 3.468 1.00 0.00 C ATOM 0 H VAL A 44 5.381 12.597 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 44 7.677 13.764 1.109 1.00 0.00 H new ATOM 0 HB VAL A 44 5.599 13.555 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.600 11.497 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.526 11.680 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.707 10.567 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.368 12.446 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.716 11.720 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.615 13.487 3.592 1.00 0.00 H new ATOM 681 N LEU A 45 7.885 10.629 0.212 1.00 0.00 N ATOM 682 CA LEU A 45 8.833 9.520 0.012 1.00 0.00 C ATOM 683 C LEU A 45 10.104 10.038 -0.672 1.00 0.00 C ATOM 684 O LEU A 45 11.203 9.628 -0.313 1.00 0.00 O ATOM 685 CB LEU A 45 8.260 8.391 -0.875 1.00 0.00 C ATOM 686 CG LEU A 45 7.193 7.426 -0.319 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.763 6.040 -0.010 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.508 7.866 0.966 1.00 0.00 C ATOM 0 H LEU A 45 6.957 10.452 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 45 9.041 9.116 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.837 8.862 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.102 7.784 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 45 6.466 7.415 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.971 5.399 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.169 5.602 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.555 6.130 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.778 7.114 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.252 7.983 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.002 8.817 0.801 1.00 0.00 H new ATOM 700 N GLU A 46 9.964 10.933 -1.646 1.00 0.00 N ATOM 701 CA GLU A 46 11.052 11.521 -2.400 1.00 0.00 C ATOM 702 C GLU A 46 11.707 12.668 -1.632 1.00 0.00 C ATOM 703 O GLU A 46 12.933 12.770 -1.638 1.00 0.00 O ATOM 704 CB GLU A 46 10.480 12.004 -3.739 1.00 0.00 C ATOM 705 CG GLU A 46 10.482 10.895 -4.797 1.00 0.00 C ATOM 706 CD GLU A 46 11.807 10.854 -5.561 1.00 0.00 C ATOM 707 OE1 GLU A 46 11.788 11.186 -6.768 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.845 10.492 -4.953 1.00 0.00 O ATOM 0 H GLU A 46 9.050 11.278 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 46 11.833 10.780 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.461 12.361 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.065 12.850 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.307 9.932 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.662 11.056 -5.497 1.00 0.00 H new ATOM 715 N GLN A 47 10.924 13.523 -0.965 1.00 0.00 N ATOM 716 CA GLN A 47 11.442 14.652 -0.198 1.00 0.00 C ATOM 717 C GLN A 47 12.351 14.182 0.940 1.00 0.00 C ATOM 718 O GLN A 47 13.321 14.861 1.278 1.00 0.00 O ATOM 719 CB GLN A 47 10.265 15.469 0.358 1.00 0.00 C ATOM 720 CG GLN A 47 9.562 16.333 -0.699 1.00 0.00 C ATOM 721 CD GLN A 47 10.294 17.646 -0.936 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.448 17.668 -1.360 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.643 18.768 -0.707 1.00 0.00 N ATOM 0 H GLN A 47 9.907 13.447 -0.945 1.00 0.00 H new ATOM 0 HA GLN A 47 12.042 15.277 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.538 14.788 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.627 16.113 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.497 15.779 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.541 16.539 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.686 18.740 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.096 19.665 -0.881 1.00 0.00 H new ATOM 732 N SER A 48 12.042 13.033 1.541 1.00 0.00 N ATOM 733 CA SER A 48 12.819 12.463 2.626 1.00 0.00 C ATOM 734 C SER A 48 12.799 10.943 2.518 1.00 0.00 C ATOM 735 O SER A 48 13.771 10.360 2.023 1.00 0.00 O ATOM 736 CB SER A 48 12.293 12.956 3.981 1.00 0.00 C ATOM 737 OG SER A 48 12.781 14.250 4.300 1.00 0.00 O ATOM 0 H SER A 48 11.233 12.469 1.280 1.00 0.00 H new ATOM 0 HA SER A 48 13.855 12.793 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.203 12.973 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.587 12.255 4.762 1.00 0.00 H new ATOM 0 HG SER A 48 13.033 14.717 3.476 1.00 0.00 H new ATOM 743 N GLY A 49 11.706 10.296 2.931 1.00 0.00 N ATOM 744 CA GLY A 49 11.624 8.854 2.892 1.00 0.00 C ATOM 745 C GLY A 49 10.563 8.304 3.833 1.00 0.00 C ATOM 746 O GLY A 49 9.593 8.980 4.196 1.00 0.00 O ATOM 0 H GLY A 49 10.872 10.758 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.403 8.534 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.593 8.431 3.156 1.00 0.00 H new ATOM 750 N LEU A 50 10.749 7.031 4.152 1.00 0.00 N ATOM 751 CA LEU A 50 9.978 6.139 4.999 1.00 0.00 C ATOM 752 C LEU A 50 9.812 6.651 6.447 1.00 0.00 C ATOM 753 O LEU A 50 10.817 6.868 7.131 1.00 0.00 O ATOM 754 CB LEU A 50 10.788 4.832 5.034 1.00 0.00 C ATOM 755 CG LEU A 50 10.254 3.725 5.961 1.00 0.00 C ATOM 756 CD1 LEU A 50 9.118 2.962 5.285 1.00 0.00 C ATOM 757 CD2 LEU A 50 11.408 2.788 6.322 1.00 0.00 C ATOM 0 H LEU A 50 11.555 6.536 3.769 1.00 0.00 H new ATOM 0 HA LEU A 50 8.969 6.037 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.840 4.434 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.808 5.069 5.336 1.00 0.00 H new ATOM 0 HG LEU A 50 9.852 4.168 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.753 2.184 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.306 3.650 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.483 2.507 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.044 1.998 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.815 2.345 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.189 3.352 6.832 1.00 0.00 H new ATOM 769 N PRO A 51 8.580 6.793 6.964 1.00 0.00 N ATOM 770 CA PRO A 51 8.317 7.236 8.326 1.00 0.00 C ATOM 771 C PRO A 51 8.672 6.101 9.285 1.00 0.00 C ATOM 772 O PRO A 51 8.349 4.936 9.029 1.00 0.00 O ATOM 773 CB PRO A 51 6.811 7.518 8.398 1.00 0.00 C ATOM 774 CG PRO A 51 6.242 6.622 7.309 1.00 0.00 C ATOM 775 CD PRO A 51 7.336 6.573 6.266 1.00 0.00 C ATOM 0 HA PRO A 51 8.899 8.119 8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.401 7.272 9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.588 8.569 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.010 5.628 7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.318 7.030 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.343 5.610 5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.179 7.336 5.504 1.00 0.00 H new ATOM 783 N ALA A 52 9.241 6.442 10.441 1.00 0.00 N ATOM 784 CA ALA A 52 9.631 5.458 11.442 1.00 0.00 C ATOM 785 C ALA A 52 8.447 4.599 11.916 1.00 0.00 C ATOM 786 O ALA A 52 8.638 3.428 12.240 1.00 0.00 O ATOM 787 CB ALA A 52 10.290 6.177 12.614 1.00 0.00 C ATOM 0 H ALA A 52 9.443 7.406 10.706 1.00 0.00 H new ATOM 0 HA ALA A 52 10.341 4.768 10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.585 5.448 13.369 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.172 6.713 12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.585 6.885 13.050 1.00 0.00 H new ATOM 793 N LYS A 53 7.210 5.120 11.913 1.00 0.00 N ATOM 794 CA LYS A 53 6.050 4.337 12.353 1.00 0.00 C ATOM 795 C LYS A 53 5.933 3.054 11.542 1.00 0.00 C ATOM 796 O LYS A 53 5.899 1.952 12.099 1.00 0.00 O ATOM 797 CB LYS A 53 4.705 5.088 12.260 1.00 0.00 C ATOM 798 CG LYS A 53 4.701 6.585 12.560 1.00 0.00 C ATOM 799 CD LYS A 53 3.274 7.156 12.456 1.00 0.00 C ATOM 800 CE LYS A 53 2.730 7.123 11.014 1.00 0.00 C ATOM 801 NZ LYS A 53 1.481 7.896 10.819 1.00 0.00 N ATOM 0 H LYS A 53 6.991 6.070 11.614 1.00 0.00 H new ATOM 0 HA LYS A 53 6.236 4.128 13.406 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.312 4.948 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.006 4.608 12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.097 6.762 13.560 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.357 7.103 11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.609 6.586 13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.270 8.184 12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.494 7.512 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.551 6.086 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.752 7.279 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.151 8.259 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.663 8.693 10.176 1.00 0.00 H new ATOM 815 N LEU A 54 5.874 3.201 10.217 1.00 0.00 N ATOM 816 CA LEU A 54 5.727 2.093 9.299 1.00 0.00 C ATOM 817 C LEU A 54 7.087 1.613 8.793 1.00 0.00 C ATOM 818 O LEU A 54 7.182 1.117 7.673 1.00 0.00 O ATOM 819 CB LEU A 54 4.856 2.541 8.099 1.00 0.00 C ATOM 820 CG LEU A 54 3.520 3.276 8.341 1.00 0.00 C ATOM 821 CD1 LEU A 54 2.732 2.761 9.547 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.681 4.796 8.422 1.00 0.00 C ATOM 0 H LEU A 54 5.929 4.109 9.755 1.00 0.00 H new ATOM 0 HA LEU A 54 5.248 1.266 9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.473 3.188 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.633 1.651 7.511 1.00 0.00 H new ATOM 0 HG LEU A 54 2.930 3.042 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.807 3.330 9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.496 1.707 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.331 2.879 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.708 5.256 8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.351 5.048 9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.099 5.168 7.487 1.00 0.00 H new ATOM 834 N ARG A 55 8.130 1.613 9.625 1.00 0.00 N ATOM 835 CA ARG A 55 9.445 1.133 9.185 1.00 0.00 C ATOM 836 C ARG A 55 9.567 -0.381 9.359 1.00 0.00 C ATOM 837 O ARG A 55 10.657 -0.917 9.156 1.00 0.00 O ATOM 838 CB ARG A 55 10.581 1.895 9.886 1.00 0.00 C ATOM 839 CG ARG A 55 10.817 1.472 11.348 1.00 0.00 C ATOM 840 CD ARG A 55 12.176 0.792 11.530 1.00 0.00 C ATOM 841 NE ARG A 55 12.317 0.231 12.882 1.00 0.00 N ATOM 842 CZ ARG A 55 13.168 -0.730 13.268 1.00 0.00 C ATOM 843 NH1 ARG A 55 14.020 -1.297 12.413 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.165 -1.104 14.541 1.00 0.00 N ATOM 0 H ARG A 55 8.094 1.934 10.592 1.00 0.00 H new ATOM 0 HA ARG A 55 9.540 1.338 8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.503 1.748 9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.358 2.962 9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.759 2.348 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.025 0.792 11.662 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.290 -0.001 10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.973 1.513 11.348 1.00 0.00 H new ATOM 0 HE ARG A 55 11.703 0.613 13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.035 -1.001 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.656 -2.026 12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.525 -0.662 15.201 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.803 -1.833 14.860 1.00 0.00 H new ATOM 858 N HIS A 56 8.476 -1.030 9.786 1.00 0.00 N ATOM 859 CA HIS A 56 8.336 -2.453 10.047 1.00 0.00 C ATOM 860 C HIS A 56 9.110 -3.320 9.055 1.00 0.00 C ATOM 861 O HIS A 56 9.192 -2.990 7.881 1.00 0.00 O ATOM 862 CB HIS A 56 6.848 -2.817 10.066 1.00 0.00 C ATOM 863 CG HIS A 56 6.637 -4.204 10.604 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.197 -5.301 9.899 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.964 -4.610 11.868 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.272 -6.360 10.727 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.741 -5.986 11.935 1.00 0.00 N ATOM 0 H HIS A 56 7.607 -0.528 9.969 1.00 0.00 H new ATOM 0 HA HIS A 56 8.776 -2.661 11.022 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.303 -2.099 10.679 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.441 -2.749 9.057 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.875 -5.310 8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.328 -3.982 12.667 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.995 -7.369 10.461 1.00 0.00 H new ATOM 875 N GLU A 57 9.612 -4.460 9.524 1.00 0.00 N ATOM 876 CA GLU A 57 10.403 -5.431 8.770 1.00 0.00 C ATOM 877 C GLU A 57 9.692 -5.973 7.510 1.00 0.00 C ATOM 878 O GLU A 57 10.330 -6.534 6.618 1.00 0.00 O ATOM 879 CB GLU A 57 10.794 -6.549 9.752 1.00 0.00 C ATOM 880 CG GLU A 57 12.156 -7.160 9.416 1.00 0.00 C ATOM 881 CD GLU A 57 12.392 -8.465 10.170 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.921 -9.516 9.675 1.00 0.00 O ATOM 883 OE2 GLU A 57 13.047 -8.456 11.239 1.00 0.00 O ATOM 0 H GLU A 57 9.470 -4.747 10.492 1.00 0.00 H new ATOM 0 HA GLU A 57 11.290 -4.941 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.817 -6.149 10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.033 -7.329 9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.218 -7.344 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.944 -6.449 9.664 1.00 0.00 H new ATOM 890 N GLN A 58 8.370 -5.816 7.428 1.00 0.00 N ATOM 891 CA GLN A 58 7.516 -6.235 6.325 1.00 0.00 C ATOM 892 C GLN A 58 6.519 -5.110 6.080 1.00 0.00 C ATOM 893 O GLN A 58 5.813 -4.699 7.015 1.00 0.00 O ATOM 894 CB GLN A 58 6.774 -7.540 6.659 1.00 0.00 C ATOM 895 CG GLN A 58 7.641 -8.810 6.625 1.00 0.00 C ATOM 896 CD GLN A 58 8.362 -9.088 7.943 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.731 -9.155 8.997 1.00 0.00 O ATOM 898 NE2 GLN A 58 9.672 -9.271 7.902 1.00 0.00 N ATOM 0 H GLN A 58 7.840 -5.367 8.175 1.00 0.00 H new ATOM 0 HA GLN A 58 8.117 -6.429 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.334 -7.446 7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.950 -7.662 5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.011 -9.664 6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.379 -8.716 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.168 -9.209 7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.186 -9.474 8.760 1.00 0.00 H new ATOM 907 N ILE A 59 6.518 -4.579 4.856 1.00 0.00 N ATOM 908 CA ILE A 59 5.645 -3.505 4.408 1.00 0.00 C ATOM 909 C ILE A 59 5.128 -3.856 2.992 1.00 0.00 C ATOM 910 O ILE A 59 5.527 -4.859 2.392 1.00 0.00 O ATOM 911 CB ILE A 59 6.346 -2.127 4.523 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.017 -1.604 3.235 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.299 -1.983 5.725 1.00 0.00 C ATOM 914 CD1 ILE A 59 6.279 -0.472 2.508 1.00 0.00 C ATOM 0 H ILE A 59 7.152 -4.902 4.125 1.00 0.00 H new ATOM 0 HA ILE A 59 4.773 -3.412 5.055 1.00 0.00 H new ATOM 0 HB ILE A 59 5.490 -1.477 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.019 -1.256 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.133 -2.439 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.742 -0.987 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.742 -2.129 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.089 -2.731 5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.840 -0.184 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.286 -0.814 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.186 0.387 3.172 1.00 0.00 H new ATOM 926 N ILE A 60 4.260 -3.025 2.423 1.00 0.00 N ATOM 927 CA ILE A 60 3.641 -3.159 1.107 1.00 0.00 C ATOM 928 C ILE A 60 3.499 -1.759 0.487 1.00 0.00 C ATOM 929 O ILE A 60 3.287 -0.763 1.182 1.00 0.00 O ATOM 930 CB ILE A 60 2.265 -3.872 1.248 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.464 -5.336 1.705 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.458 -3.825 -0.062 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.286 -6.297 1.492 1.00 0.00 C ATOM 0 H ILE A 60 3.948 -2.181 2.903 1.00 0.00 H new ATOM 0 HA ILE A 60 4.260 -3.768 0.448 1.00 0.00 H new ATOM 0 HB ILE A 60 1.693 -3.336 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.330 -5.740 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.708 -5.329 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.504 -4.334 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.277 -2.787 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.020 -4.321 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.556 -7.289 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.417 -5.934 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.048 -6.351 0.430 1.00 0.00 H new ATOM 945 N PHE A 61 3.546 -1.687 -0.842 1.00 0.00 N ATOM 946 CA PHE A 61 3.414 -0.467 -1.627 1.00 0.00 C ATOM 947 C PHE A 61 2.282 -0.602 -2.636 1.00 0.00 C ATOM 948 O PHE A 61 2.232 -1.601 -3.356 1.00 0.00 O ATOM 949 CB PHE A 61 4.732 -0.206 -2.370 1.00 0.00 C ATOM 950 CG PHE A 61 5.728 0.604 -1.572 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.348 1.797 -0.931 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.048 0.158 -1.460 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.275 2.499 -0.144 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.966 0.840 -0.651 1.00 0.00 C ATOM 955 CZ PHE A 61 7.586 2.022 0.003 1.00 0.00 C ATOM 0 H PHE A 61 3.683 -2.514 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 61 3.188 0.364 -0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.184 -1.161 -2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.516 0.316 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.342 2.173 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.363 -0.721 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.977 3.411 0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.968 0.455 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.296 2.559 0.614 1.00 0.00 H new ATOM 965 N HIS A 62 1.385 0.385 -2.714 1.00 0.00 N ATOM 966 CA HIS A 62 0.251 0.436 -3.636 1.00 0.00 C ATOM 967 C HIS A 62 0.132 1.881 -4.125 1.00 0.00 C ATOM 968 O HIS A 62 0.430 2.799 -3.362 1.00 0.00 O ATOM 969 CB HIS A 62 -1.054 -0.023 -2.937 1.00 0.00 C ATOM 970 CG HIS A 62 -2.163 1.008 -2.922 1.00 0.00 C ATOM 971 ND1 HIS A 62 -3.261 1.012 -3.747 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.216 2.145 -2.157 1.00 0.00 C ATOM 973 CE1 HIS A 62 -3.950 2.136 -3.501 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.329 2.879 -2.581 1.00 0.00 N ATOM 0 H HIS A 62 1.433 1.205 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 62 0.410 -0.240 -4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.419 -0.922 -3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.821 -0.300 -1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.527 2.422 -1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.880 2.404 -3.981 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.611 3.802 -2.252 1.00 0.00 H new ATOM 982 N CYS A 63 -0.326 2.100 -5.361 1.00 0.00 N ATOM 983 CA CYS A 63 -0.504 3.436 -5.913 1.00 0.00 C ATOM 984 C CYS A 63 -1.774 3.481 -6.761 1.00 0.00 C ATOM 985 O CYS A 63 -1.713 3.457 -7.992 1.00 0.00 O ATOM 986 CB CYS A 63 0.743 3.930 -6.660 1.00 0.00 C ATOM 987 SG CYS A 63 1.432 2.710 -7.803 1.00 0.00 S ATOM 0 H CYS A 63 -0.583 1.351 -6.004 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.632 4.139 -5.090 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.490 4.833 -7.215 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.506 4.206 -5.933 1.00 0.00 H new ATOM 0 HG CYS A 63 2.478 3.209 -8.391 1.00 0.00 H new ATOM 993 N GLN A 64 -2.928 3.588 -6.087 1.00 0.00 N ATOM 994 CA GLN A 64 -4.243 3.648 -6.731 1.00 0.00 C ATOM 995 C GLN A 64 -4.446 2.390 -7.603 1.00 0.00 C ATOM 996 O GLN A 64 -3.764 1.387 -7.397 1.00 0.00 O ATOM 997 CB GLN A 64 -4.318 4.982 -7.503 1.00 0.00 C ATOM 998 CG GLN A 64 -5.709 5.599 -7.667 1.00 0.00 C ATOM 999 CD GLN A 64 -5.634 6.717 -8.703 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.158 6.583 -9.806 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -4.903 7.783 -8.434 1.00 0.00 N ATOM 0 H GLN A 64 -2.972 3.636 -5.069 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.064 3.638 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.681 5.706 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.895 4.826 -8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.424 4.839 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.062 5.992 -6.713 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.471 7.887 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.770 8.503 -9.144 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.424 2.367 -8.514 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.674 1.226 -9.399 1.00 0.00 C ATOM 1012 C ALA A 65 -4.752 1.321 -10.623 1.00 0.00 C ATOM 1013 O ALA A 65 -5.174 1.020 -11.743 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.140 1.271 -9.856 1.00 0.00 C ATOM 0 H ALA A 65 -6.068 3.145 -8.659 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.477 0.292 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.341 0.427 -10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.794 1.215 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.326 2.202 -10.391 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.500 1.738 -10.452 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.579 1.885 -11.557 1.00 0.00 C ATOM 1022 C GLY A 66 -1.469 0.862 -11.523 1.00 0.00 C ATOM 1023 O GLY A 66 -0.836 0.659 -10.487 1.00 0.00 O ATOM 0 H GLY A 66 -3.104 1.981 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.125 1.793 -12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.148 2.886 -11.536 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.204 0.244 -12.677 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.136 -0.742 -12.849 1.00 0.00 C ATOM 1029 C LYS A 67 1.185 0.033 -13.002 1.00 0.00 C ATOM 1030 O LYS A 67 1.891 -0.065 -14.005 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.455 -1.680 -14.030 1.00 0.00 C ATOM 1032 CG LYS A 67 -0.637 -1.026 -15.415 1.00 0.00 C ATOM 1033 CD LYS A 67 -0.305 -2.030 -16.534 1.00 0.00 C ATOM 1034 CE LYS A 67 -0.076 -1.381 -17.904 1.00 0.00 C ATOM 1035 NZ LYS A 67 1.116 -0.505 -17.931 1.00 0.00 N ATOM 0 H LYS A 67 -1.734 0.418 -13.531 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.045 -1.399 -11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.347 -2.415 -14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.367 -2.227 -13.791 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.663 -0.675 -15.526 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.009 -0.152 -15.499 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.588 -2.589 -16.254 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.119 -2.750 -16.616 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.035 -2.161 -18.657 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.956 -0.798 -18.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.352 -0.270 -18.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.916 0.370 -17.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.919 -0.998 -17.491 1.00 0.00 H new ATOM 1049 N ARG A 68 1.474 0.870 -12.005 1.00 0.00 N ATOM 1050 CA ARG A 68 2.620 1.762 -11.922 1.00 0.00 C ATOM 1051 C ARG A 68 3.399 1.650 -10.617 1.00 0.00 C ATOM 1052 O ARG A 68 4.187 2.543 -10.310 1.00 0.00 O ATOM 1053 CB ARG A 68 2.107 3.189 -12.201 1.00 0.00 C ATOM 1054 CG ARG A 68 1.180 3.761 -11.104 1.00 0.00 C ATOM 1055 CD ARG A 68 0.057 4.638 -11.668 1.00 0.00 C ATOM 1056 NE ARG A 68 0.572 5.761 -12.460 1.00 0.00 N ATOM 1057 CZ ARG A 68 -0.035 6.329 -13.505 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -1.284 6.003 -13.825 1.00 0.00 N ATOM 1059 NH2 ARG A 68 0.618 7.226 -14.232 1.00 0.00 N ATOM 0 H ARG A 68 0.873 0.944 -11.184 1.00 0.00 H new ATOM 0 HA ARG A 68 3.358 1.473 -12.671 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.963 3.853 -12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.570 3.190 -13.150 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.742 2.937 -10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.774 4.347 -10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.599 4.029 -12.289 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.548 5.023 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 68 1.477 6.143 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.789 5.312 -13.270 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.737 6.444 -14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.577 7.477 -13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.161 7.664 -15.032 1.00 0.00 H new ATOM 1073 N THR A 69 3.173 0.635 -9.780 1.00 0.00 N ATOM 1074 CA THR A 69 3.932 0.536 -8.534 1.00 0.00 C ATOM 1075 C THR A 69 5.366 0.097 -8.854 1.00 0.00 C ATOM 1076 O THR A 69 6.320 0.781 -8.468 1.00 0.00 O ATOM 1077 CB THR A 69 3.230 -0.375 -7.518 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.828 -0.431 -7.710 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.454 0.136 -6.093 1.00 0.00 C ATOM 0 H THR A 69 2.492 -0.108 -9.935 1.00 0.00 H new ATOM 0 HA THR A 69 3.982 1.513 -8.054 1.00 0.00 H new ATOM 0 HB THR A 69 3.661 -1.365 -7.667 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.469 0.479 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.949 -0.523 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.522 0.151 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.051 1.145 -6.001 1.00 0.00 H new ATOM 1087 N SER A 70 5.515 -0.999 -9.603 1.00 0.00 N ATOM 1088 CA SER A 70 6.764 -1.611 -10.053 1.00 0.00 C ATOM 1089 C SER A 70 7.649 -0.648 -10.874 1.00 0.00 C ATOM 1090 O SER A 70 8.840 -0.906 -11.052 1.00 0.00 O ATOM 1091 CB SER A 70 6.437 -2.917 -10.819 1.00 0.00 C ATOM 1092 OG SER A 70 5.063 -3.023 -11.185 1.00 0.00 O ATOM 0 H SER A 70 4.703 -1.519 -9.935 1.00 0.00 H new ATOM 0 HA SER A 70 7.365 -1.854 -9.177 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.051 -2.967 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.709 -3.772 -10.200 1.00 0.00 H new ATOM 0 HG SER A 70 4.917 -3.864 -11.666 1.00 0.00 H new ATOM 1098 N ASN A 71 7.123 0.512 -11.288 1.00 0.00 N ATOM 1099 CA ASN A 71 7.842 1.530 -12.068 1.00 0.00 C ATOM 1100 C ASN A 71 9.099 2.031 -11.363 1.00 0.00 C ATOM 1101 O ASN A 71 9.954 2.638 -12.010 1.00 0.00 O ATOM 1102 CB ASN A 71 6.950 2.749 -12.369 1.00 0.00 C ATOM 1103 CG ASN A 71 6.389 2.750 -13.782 1.00 0.00 C ATOM 1104 OD1 ASN A 71 5.301 2.251 -14.041 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.081 3.354 -14.730 1.00 0.00 N ATOM 0 H ASN A 71 6.159 0.776 -11.084 1.00 0.00 H new ATOM 0 HA ASN A 71 8.126 1.033 -12.995 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.124 2.771 -11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.528 3.660 -12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.710 3.405 -15.679 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.987 3.770 -14.514 1.00 0.00 H new ATOM 1112 N ASN A 72 9.185 1.873 -10.038 1.00 0.00 N ATOM 1113 CA ASN A 72 10.321 2.305 -9.232 1.00 0.00 C ATOM 1114 C ASN A 72 10.624 1.219 -8.211 1.00 0.00 C ATOM 1115 O ASN A 72 10.820 1.486 -7.027 1.00 0.00 O ATOM 1116 CB ASN A 72 10.123 3.704 -8.632 1.00 0.00 C ATOM 1117 CG ASN A 72 10.294 4.733 -9.736 1.00 0.00 C ATOM 1118 OD1 ASN A 72 11.414 5.036 -10.144 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.202 5.252 -10.267 1.00 0.00 N ATOM 0 H ASN A 72 8.448 1.431 -9.488 1.00 0.00 H new ATOM 0 HA ASN A 72 11.200 2.428 -9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.132 3.788 -8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.846 3.880 -7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.276 5.921 -11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.285 4.984 -9.910 1.00 0.00 H new ATOM 1126 N ALA A 73 10.617 -0.024 -8.693 1.00 0.00 N ATOM 1127 CA ALA A 73 10.877 -1.252 -7.958 1.00 0.00 C ATOM 1128 C ALA A 73 12.252 -1.307 -7.279 1.00 0.00 C ATOM 1129 O ALA A 73 12.507 -2.243 -6.528 1.00 0.00 O ATOM 1130 CB ALA A 73 10.710 -2.411 -8.935 1.00 0.00 C ATOM 0 H ALA A 73 10.415 -0.207 -9.676 1.00 0.00 H new ATOM 0 HA ALA A 73 10.165 -1.309 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.898 -3.352 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.694 -2.410 -9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.419 -2.300 -9.756 1.00 0.00 H new ATOM 1136 N ASP A 74 13.140 -0.350 -7.539 1.00 0.00 N ATOM 1137 CA ASP A 74 14.469 -0.259 -6.942 1.00 0.00 C ATOM 1138 C ASP A 74 14.431 0.883 -5.928 1.00 0.00 C ATOM 1139 O ASP A 74 14.652 0.650 -4.743 1.00 0.00 O ATOM 1140 CB ASP A 74 15.564 -0.089 -8.010 1.00 0.00 C ATOM 1141 CG ASP A 74 16.315 -1.395 -8.208 1.00 0.00 C ATOM 1142 OD1 ASP A 74 17.380 -1.570 -7.570 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.803 -2.293 -8.912 1.00 0.00 O ATOM 0 H ASP A 74 12.947 0.408 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 74 14.730 -1.186 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.117 0.227 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.258 0.695 -7.707 1.00 0.00 H new ATOM 1148 N LYS A 75 14.044 2.093 -6.351 1.00 0.00 N ATOM 1149 CA LYS A 75 13.960 3.268 -5.485 1.00 0.00 C ATOM 1150 C LYS A 75 13.030 3.036 -4.301 1.00 0.00 C ATOM 1151 O LYS A 75 13.418 3.307 -3.169 1.00 0.00 O ATOM 1152 CB LYS A 75 13.556 4.523 -6.295 1.00 0.00 C ATOM 1153 CG LYS A 75 14.709 5.536 -6.374 1.00 0.00 C ATOM 1154 CD LYS A 75 14.989 6.202 -5.018 1.00 0.00 C ATOM 1155 CE LYS A 75 14.206 7.507 -4.813 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.797 8.664 -5.519 1.00 0.00 N ATOM 0 H LYS A 75 13.778 2.282 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 75 14.953 3.445 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.259 4.228 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.688 4.993 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.610 5.032 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.468 6.302 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.737 5.505 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.056 6.409 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.182 7.365 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.156 7.728 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.160 9.482 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.717 8.898 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.930 8.427 -6.523 1.00 0.00 H new ATOM 1170 N LEU A 76 11.801 2.568 -4.540 1.00 0.00 N ATOM 1171 CA LEU A 76 10.839 2.307 -3.463 1.00 0.00 C ATOM 1172 C LEU A 76 11.400 1.257 -2.502 1.00 0.00 C ATOM 1173 O LEU A 76 11.113 1.312 -1.308 1.00 0.00 O ATOM 1174 CB LEU A 76 9.477 1.825 -4.005 1.00 0.00 C ATOM 1175 CG LEU A 76 8.653 2.866 -4.782 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.430 2.182 -5.416 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.173 4.010 -3.877 1.00 0.00 C ATOM 0 H LEU A 76 11.447 2.361 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 76 10.679 3.249 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.650 0.968 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.879 1.471 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 76 9.298 3.291 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.846 2.919 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.763 1.400 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.813 1.741 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.595 4.722 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.548 3.606 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.035 4.515 -3.441 1.00 0.00 H new ATOM 1189 N ALA A 77 12.163 0.295 -3.026 1.00 0.00 N ATOM 1190 CA ALA A 77 12.775 -0.766 -2.250 1.00 0.00 C ATOM 1191 C ALA A 77 13.763 -0.141 -1.277 1.00 0.00 C ATOM 1192 O ALA A 77 13.567 -0.245 -0.073 1.00 0.00 O ATOM 1193 CB ALA A 77 13.460 -1.786 -3.166 1.00 0.00 C ATOM 0 H ALA A 77 12.372 0.238 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 77 12.011 -1.306 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.912 -2.572 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.722 -2.224 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.234 -1.288 -3.751 1.00 0.00 H new ATOM 1199 N ALA A 78 14.776 0.558 -1.800 1.00 0.00 N ATOM 1200 CA ALA A 78 15.813 1.218 -1.016 1.00 0.00 C ATOM 1201 C ALA A 78 15.226 2.166 0.031 1.00 0.00 C ATOM 1202 O ALA A 78 15.770 2.309 1.128 1.00 0.00 O ATOM 1203 CB ALA A 78 16.748 1.966 -1.967 1.00 0.00 C ATOM 0 H ALA A 78 14.896 0.681 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 78 16.372 0.460 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.529 2.464 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.203 1.259 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.179 2.709 -2.527 1.00 0.00 H new ATOM 1209 N ILE A 79 14.108 2.801 -0.310 1.00 0.00 N ATOM 1210 CA ILE A 79 13.397 3.721 0.549 1.00 0.00 C ATOM 1211 C ILE A 79 12.861 2.987 1.780 1.00 0.00 C ATOM 1212 O ILE A 79 13.048 3.496 2.886 1.00 0.00 O ATOM 1213 CB ILE A 79 12.304 4.434 -0.284 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.937 5.679 -0.940 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.033 4.809 0.491 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.011 6.435 -1.896 1.00 0.00 C ATOM 0 H ILE A 79 13.665 2.680 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 79 14.062 4.493 0.935 1.00 0.00 H new ATOM 0 HB ILE A 79 11.956 3.720 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.263 6.361 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.829 5.372 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.330 5.303 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.575 3.907 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.290 5.484 1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.539 7.294 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.705 5.773 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.129 6.777 -1.354 1.00 0.00 H new ATOM 1228 N ALA A 80 12.193 1.834 1.635 1.00 0.00 N ATOM 1229 CA ALA A 80 11.647 1.146 2.797 1.00 0.00 C ATOM 1230 C ALA A 80 12.580 0.081 3.393 1.00 0.00 C ATOM 1231 O ALA A 80 12.318 -0.396 4.502 1.00 0.00 O ATOM 1232 CB ALA A 80 10.260 0.649 2.423 1.00 0.00 C ATOM 0 H ALA A 80 12.024 1.372 0.742 1.00 0.00 H new ATOM 0 HA ALA A 80 11.558 1.843 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.819 0.127 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.631 1.497 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.334 -0.033 1.576 1.00 0.00 H new ATOM 1238 N ALA A 81 13.679 -0.241 2.703 1.00 0.00 N ATOM 1239 CA ALA A 81 14.689 -1.211 3.109 1.00 0.00 C ATOM 1240 C ALA A 81 15.221 -0.832 4.502 1.00 0.00 C ATOM 1241 O ALA A 81 15.227 0.359 4.849 1.00 0.00 O ATOM 1242 CB ALA A 81 15.820 -1.222 2.077 1.00 0.00 C ATOM 0 H ALA A 81 13.894 0.191 1.804 1.00 0.00 H new ATOM 0 HA ALA A 81 14.256 -2.210 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.578 -1.946 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.420 -1.498 1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.268 -0.230 2.018 1.00 0.00 H new ATOM 1248 N PRO A 82 15.790 -1.764 5.279 1.00 0.00 N ATOM 1249 CA PRO A 82 15.996 -3.191 5.008 1.00 0.00 C ATOM 1250 C PRO A 82 14.740 -4.067 4.973 1.00 0.00 C ATOM 1251 O PRO A 82 14.857 -5.257 4.681 1.00 0.00 O ATOM 1252 CB PRO A 82 16.969 -3.663 6.100 1.00 0.00 C ATOM 1253 CG PRO A 82 16.681 -2.712 7.257 1.00 0.00 C ATOM 1254 CD PRO A 82 16.395 -1.406 6.550 1.00 0.00 C ATOM 0 HA PRO A 82 16.377 -3.300 3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.789 -4.702 6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.006 -3.596 5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.831 -3.045 7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.531 -2.628 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.724 -0.782 7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.311 -0.835 6.399 1.00 0.00 H new ATOM 1262 N ALA A 83 13.552 -3.521 5.246 1.00 0.00 N ATOM 1263 CA ALA A 83 12.314 -4.290 5.229 1.00 0.00 C ATOM 1264 C ALA A 83 12.053 -4.939 3.865 1.00 0.00 C ATOM 1265 O ALA A 83 12.602 -4.513 2.845 1.00 0.00 O ATOM 1266 CB ALA A 83 11.153 -3.354 5.568 1.00 0.00 C ATOM 0 H ALA A 83 13.426 -2.537 5.484 1.00 0.00 H new ATOM 0 HA ALA A 83 12.403 -5.091 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.219 -3.915 5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.309 -2.924 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.103 -2.554 4.829 1.00 0.00 H new ATOM 1272 N GLU A 84 11.197 -5.959 3.854 1.00 0.00 N ATOM 1273 CA GLU A 84 10.784 -6.693 2.666 1.00 0.00 C ATOM 1274 C GLU A 84 9.530 -6.004 2.140 1.00 0.00 C ATOM 1275 O GLU A 84 8.543 -5.859 2.871 1.00 0.00 O ATOM 1276 CB GLU A 84 10.526 -8.161 3.022 1.00 0.00 C ATOM 1277 CG GLU A 84 11.851 -8.916 3.165 1.00 0.00 C ATOM 1278 CD GLU A 84 12.650 -8.905 1.859 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.095 -9.248 0.790 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.840 -8.521 1.879 1.00 0.00 O ATOM 0 H GLU A 84 10.757 -6.308 4.706 1.00 0.00 H new ATOM 0 HA GLU A 84 11.557 -6.691 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.963 -8.223 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.916 -8.628 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.445 -8.463 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.653 -9.946 3.463 1.00 0.00 H new ATOM 1287 N ILE A 85 9.577 -5.567 0.879 1.00 0.00 N ATOM 1288 CA ILE A 85 8.502 -4.846 0.213 1.00 0.00 C ATOM 1289 C ILE A 85 7.753 -5.757 -0.761 1.00 0.00 C ATOM 1290 O ILE A 85 8.342 -6.595 -1.452 1.00 0.00 O ATOM 1291 CB ILE A 85 9.122 -3.565 -0.417 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.227 -2.388 0.571 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.340 -3.070 -1.637 1.00 0.00 C ATOM 1294 CD1 ILE A 85 9.747 -2.779 1.958 1.00 0.00 C ATOM 0 H ILE A 85 10.390 -5.712 0.280 1.00 0.00 H new ATOM 0 HA ILE A 85 7.728 -4.526 0.911 1.00 0.00 H new ATOM 0 HB ILE A 85 10.123 -3.880 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.887 -1.630 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.244 -1.930 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.817 -2.175 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.329 -3.847 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.317 -2.836 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.791 -1.894 2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.076 -3.513 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.744 -3.209 1.865 1.00 0.00 H new ATOM 1306 N PHE A 86 6.434 -5.538 -0.845 1.00 0.00 N ATOM 1307 CA PHE A 86 5.528 -6.281 -1.706 1.00 0.00 C ATOM 1308 C PHE A 86 4.525 -5.358 -2.402 1.00 0.00 C ATOM 1309 O PHE A 86 4.407 -4.178 -2.057 1.00 0.00 O ATOM 1310 CB PHE A 86 4.798 -7.393 -0.921 1.00 0.00 C ATOM 1311 CG PHE A 86 5.578 -8.371 -0.040 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.336 -7.940 1.072 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.387 -9.755 -0.218 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.925 -8.866 1.949 1.00 0.00 C ATOM 1315 CE2 PHE A 86 5.965 -10.684 0.666 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.743 -10.242 1.748 1.00 0.00 C ATOM 0 H PHE A 86 5.963 -4.818 -0.298 1.00 0.00 H new ATOM 0 HA PHE A 86 6.133 -6.753 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.062 -6.904 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.245 -7.988 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.464 -6.883 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.788 -10.108 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.520 -8.517 2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.810 -11.742 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.197 -10.955 2.420 1.00 0.00 H new ATOM 1326 N LEU A 87 3.785 -5.921 -3.364 1.00 0.00 N ATOM 1327 CA LEU A 87 2.786 -5.266 -4.204 1.00 0.00 C ATOM 1328 C LEU A 87 1.515 -6.104 -4.295 1.00 0.00 C ATOM 1329 O LEU A 87 1.584 -7.307 -4.567 1.00 0.00 O ATOM 1330 CB LEU A 87 3.354 -5.126 -5.635 1.00 0.00 C ATOM 1331 CG LEU A 87 4.698 -4.390 -5.819 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.073 -4.383 -7.305 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.631 -2.940 -5.349 1.00 0.00 C ATOM 0 H LEU A 87 3.877 -6.912 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 87 2.553 -4.296 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.464 -6.128 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.608 -4.612 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 87 5.439 -4.919 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.022 -3.864 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.167 -5.409 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.297 -3.871 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.600 -2.464 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.872 -2.407 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.373 -2.912 -4.290 1.00 0.00 H new ATOM 1345 N LEU A 88 0.374 -5.444 -4.092 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.969 -6.008 -4.148 1.00 0.00 C ATOM 1347 C LEU A 88 -1.475 -6.037 -5.593 1.00 0.00 C ATOM 1348 O LEU A 88 -2.298 -5.212 -5.998 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.947 -5.162 -3.317 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.924 -5.354 -1.802 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.898 -4.357 -1.166 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.355 -6.767 -1.429 1.00 0.00 C ATOM 0 H LEU A 88 0.365 -4.448 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.919 -7.020 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.747 -4.111 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.957 -5.371 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.909 -5.190 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.892 -4.483 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.593 -3.341 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.903 -4.537 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.331 -6.881 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.368 -6.946 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.675 -7.487 -1.884 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.010 -7.003 -6.380 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.399 -7.204 -7.773 1.00 0.00 C ATOM 1366 C GLU A 89 -1.113 -5.963 -8.647 1.00 0.00 C ATOM 1367 O GLU A 89 -0.062 -5.916 -9.292 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.858 -7.732 -7.792 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.186 -8.667 -8.955 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.244 -9.868 -8.994 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -1.294 -9.790 -9.808 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.387 -10.803 -8.168 1.00 0.00 O ATOM 0 H GLU A 89 -0.330 -7.690 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.780 -7.965 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.052 -8.257 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.537 -6.880 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.215 -9.014 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.116 -8.118 -9.894 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.019 -4.979 -8.715 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.914 -3.721 -9.461 1.00 0.00 C ATOM 1381 C ASP A 90 -2.399 -2.592 -8.541 1.00 0.00 C ATOM 1382 O ASP A 90 -3.370 -1.878 -8.824 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.659 -3.717 -10.813 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.097 -4.647 -11.878 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -2.880 -5.480 -12.411 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -0.933 -4.474 -12.286 1.00 0.00 O ATOM 0 H ASP A 90 -2.906 -5.047 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.870 -3.577 -9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.700 -3.986 -10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.656 -2.700 -11.206 1.00 0.00 H new ATOM 1391 N GLY A 91 -1.716 -2.433 -7.409 1.00 0.00 N ATOM 1392 CA GLY A 91 -1.998 -1.422 -6.410 1.00 0.00 C ATOM 1393 C GLY A 91 -3.294 -1.693 -5.658 1.00 0.00 C ATOM 1394 O GLY A 91 -3.345 -2.531 -4.767 1.00 0.00 O ATOM 0 H GLY A 91 -0.926 -3.028 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.172 -1.377 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.058 -0.446 -6.892 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.333 -0.904 -5.923 1.00 0.00 N ATOM 1399 CA ILE A 92 -5.619 -1.077 -5.241 1.00 0.00 C ATOM 1400 C ILE A 92 -6.354 -2.292 -5.810 1.00 0.00 C ATOM 1401 O ILE A 92 -7.237 -2.852 -5.163 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.487 0.212 -5.343 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.149 0.622 -4.014 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.563 0.188 -6.443 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.803 -0.482 -3.178 1.00 0.00 C ATOM 0 H ILE A 92 -4.313 -0.142 -6.601 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.431 -1.255 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.745 0.961 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.392 1.107 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.909 1.372 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.114 1.129 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.087 0.055 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.251 -0.637 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.227 -0.049 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.594 -0.957 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.054 -1.226 -2.908 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.009 -2.661 -7.047 1.00 0.00 N ATOM 1418 CA ASP A 93 -6.614 -3.760 -7.771 1.00 0.00 C ATOM 1419 C ASP A 93 -6.555 -5.067 -6.994 1.00 0.00 C ATOM 1420 O ASP A 93 -7.538 -5.792 -7.009 1.00 0.00 O ATOM 1421 CB ASP A 93 -5.950 -3.875 -9.135 1.00 0.00 C ATOM 1422 CG ASP A 93 -6.796 -4.675 -10.120 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -7.780 -4.088 -10.639 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -6.414 -5.812 -10.467 1.00 0.00 O ATOM 0 H ASP A 93 -5.280 -2.184 -7.578 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.675 -3.551 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.773 -2.877 -9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.976 -4.351 -9.024 1.00 0.00 H new ATOM 1429 N GLY A 94 -5.466 -5.338 -6.264 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.333 -6.563 -5.490 1.00 0.00 C ATOM 1431 C GLY A 94 -6.440 -6.701 -4.451 1.00 0.00 C ATOM 1432 O GLY A 94 -7.141 -7.710 -4.459 1.00 0.00 O ATOM 0 H GLY A 94 -4.661 -4.715 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.356 -7.421 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.364 -6.574 -4.992 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.632 -5.697 -3.584 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.663 -5.747 -2.545 1.00 0.00 C ATOM 1438 C TRP A 95 -9.024 -6.118 -3.162 1.00 0.00 C ATOM 1439 O TRP A 95 -9.678 -7.082 -2.758 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.779 -4.422 -1.795 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.758 -4.451 -0.649 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.834 -3.649 -0.523 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.813 -5.338 0.519 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.468 -3.910 0.675 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.823 -4.876 1.405 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.093 -6.469 0.943 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -10.047 -5.436 2.674 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.283 -7.039 2.214 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.258 -6.523 3.089 1.00 0.00 C ATOM 0 H TRP A 95 -6.082 -4.838 -3.584 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.367 -6.513 -1.828 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.796 -4.145 -1.413 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.079 -3.644 -2.497 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.151 -2.915 -1.248 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.319 -3.439 0.982 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.372 -6.913 0.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.814 -5.037 3.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.677 -7.878 2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.398 -6.957 4.068 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.451 -5.355 -4.182 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.730 -5.592 -4.849 1.00 0.00 C ATOM 1462 C LYS A 96 -10.752 -6.875 -5.684 1.00 0.00 C ATOM 1463 O LYS A 96 -11.851 -7.353 -5.965 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.187 -4.373 -5.670 1.00 0.00 C ATOM 1465 CG LYS A 96 -10.233 -4.038 -6.824 1.00 0.00 C ATOM 1466 CD LYS A 96 -10.767 -2.981 -7.794 1.00 0.00 C ATOM 1467 CE LYS A 96 -11.974 -3.530 -8.562 1.00 0.00 C ATOM 1468 NZ LYS A 96 -12.066 -3.020 -9.943 1.00 0.00 N ATOM 0 H LYS A 96 -8.923 -4.568 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.455 -5.741 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.182 -4.564 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.270 -3.508 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.287 -3.689 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.020 -4.951 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.053 -2.084 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.983 -2.690 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.916 -4.618 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.886 -3.271 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.902 -3.428 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.151 -1.984 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.211 -3.289 -10.470 1.00 0.00 H new ATOM 1482 N LYS A 97 -9.617 -7.458 -6.086 1.00 0.00 N ATOM 1483 CA LYS A 97 -9.592 -8.700 -6.868 1.00 0.00 C ATOM 1484 C LYS A 97 -10.197 -9.812 -6.015 1.00 0.00 C ATOM 1485 O LYS A 97 -10.949 -10.640 -6.534 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.155 -9.026 -7.303 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.047 -10.161 -8.325 1.00 0.00 C ATOM 1488 CD LYS A 97 -8.651 -9.811 -9.692 1.00 0.00 C ATOM 1489 CE LYS A 97 -8.006 -10.740 -10.722 1.00 0.00 C ATOM 1490 NZ LYS A 97 -8.284 -10.338 -12.109 1.00 0.00 N ATOM 0 H LYS A 97 -8.691 -7.083 -5.879 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.180 -8.593 -7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.704 -8.128 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.572 -9.291 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.997 -10.423 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.549 -11.044 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.733 -9.942 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.459 -8.767 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.928 -10.757 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.368 -11.756 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.823 -11.003 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.311 -10.347 -12.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.916 -9.379 -12.273 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.912 -9.786 -4.708 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.428 -10.726 -3.718 1.00 0.00 C ATOM 1506 C ALA A 98 -11.911 -10.429 -3.423 1.00 0.00 C ATOM 1507 O ALA A 98 -12.559 -11.149 -2.672 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.611 -10.577 -2.428 1.00 0.00 C ATOM 0 H ALA A 98 -9.294 -9.084 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.345 -11.742 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.985 -11.274 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.563 -10.794 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.704 -9.557 -2.054 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.459 -9.346 -3.986 1.00 0.00 N ATOM 1515 CA GLY A 99 -13.831 -8.902 -3.812 1.00 0.00 C ATOM 1516 C GLY A 99 -14.018 -8.121 -2.509 1.00 0.00 C ATOM 1517 O GLY A 99 -15.139 -7.711 -2.181 1.00 0.00 O ATOM 0 H GLY A 99 -11.926 -8.732 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.119 -8.275 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.495 -9.766 -3.816 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.942 -7.886 -1.756 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.990 -7.157 -0.510 1.00 0.00 C ATOM 1523 C LEU A 100 -13.145 -5.675 -0.866 1.00 0.00 C ATOM 1524 O LEU A 100 -12.368 -5.153 -1.667 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.722 -7.433 0.302 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.634 -8.892 0.795 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.211 -9.250 1.215 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.562 -9.124 1.996 1.00 0.00 C ATOM 0 H LEU A 100 -12.006 -8.205 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.829 -7.468 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.848 -7.208 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.692 -6.762 1.160 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.940 -9.525 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.182 -10.284 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.540 -9.130 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.894 -8.591 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.481 -10.160 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.273 -8.462 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.592 -8.915 1.706 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.177 -4.989 -0.357 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.396 -3.583 -0.649 1.00 0.00 C ATOM 1542 C PRO A 101 -13.450 -2.731 0.199 1.00 0.00 C ATOM 1543 O PRO A 101 -13.071 -3.102 1.311 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.863 -3.338 -0.296 1.00 0.00 C ATOM 1545 CG PRO A 101 -16.129 -4.334 0.834 1.00 0.00 C ATOM 1546 CD PRO A 101 -15.160 -5.487 0.588 1.00 0.00 C ATOM 0 HA PRO A 101 -14.195 -3.319 -1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.032 -2.311 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.517 -3.516 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.959 -3.878 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.163 -4.679 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.684 -5.801 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.681 -6.356 0.187 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.069 -1.560 -0.291 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.193 -0.617 0.371 1.00 0.00 C ATOM 1556 C VAL A 102 -13.003 0.139 1.418 1.00 0.00 C ATOM 1557 O VAL A 102 -14.232 0.023 1.441 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.721 0.369 -0.712 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.755 -0.298 -1.681 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.886 0.985 -1.512 1.00 0.00 C ATOM 0 H VAL A 102 -13.380 -1.230 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.349 -1.110 0.853 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.215 1.173 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.439 0.424 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.883 -0.658 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.250 -1.138 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.490 1.672 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.447 0.192 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.546 1.527 -0.835 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.347 0.973 2.231 1.00 0.00 N ATOM 1571 CA ALA A 103 -13.103 1.721 3.225 1.00 0.00 C ATOM 1572 C ALA A 103 -13.787 2.929 2.563 1.00 0.00 C ATOM 1573 O ALA A 103 -13.229 4.027 2.529 1.00 0.00 O ATOM 1574 CB ALA A 103 -12.191 2.152 4.367 1.00 0.00 C ATOM 0 H ALA A 103 -11.341 1.140 2.221 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.879 1.081 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.769 2.710 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.757 1.270 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.393 2.784 3.977 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.939 2.713 1.928 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.719 3.773 1.292 1.00 0.00 C ATOM 1582 C VAL A 104 -16.627 4.376 2.368 1.00 0.00 C ATOM 1583 O VAL A 104 -16.855 3.783 3.427 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.582 3.268 0.104 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.913 3.540 -1.248 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -17.012 1.795 0.196 1.00 0.00 C ATOM 0 H VAL A 104 -15.360 1.788 1.840 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.031 4.508 0.875 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.498 3.854 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.551 3.170 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.761 4.613 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.950 3.031 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.610 1.535 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.127 1.159 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.604 1.645 1.099 1.00 0.00 H new ATOM 1596 N ASN A 105 -17.152 5.570 2.104 1.00 0.00 N ATOM 1597 CA ASN A 105 -18.059 6.252 3.018 1.00 0.00 C ATOM 1598 C ASN A 105 -19.497 5.830 2.705 1.00 0.00 C ATOM 1599 O ASN A 105 -20.337 5.739 3.600 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.917 7.771 2.862 1.00 0.00 C ATOM 1601 CG ASN A 105 -18.414 8.513 4.091 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -17.669 9.300 4.668 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -19.642 8.302 4.523 1.00 0.00 N ATOM 0 H ASN A 105 -16.959 6.091 1.249 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.812 5.981 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.871 8.022 2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.477 8.101 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.985 8.796 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.249 7.645 4.033 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.798 5.594 1.426 1.00 0.00 N ATOM 1611 CA LYS A 106 -21.118 5.190 0.958 1.00 0.00 C ATOM 1612 C LYS A 106 -21.500 3.817 1.507 1.00 0.00 C ATOM 1613 O LYS A 106 -22.563 3.699 2.108 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.119 5.208 -0.578 1.00 0.00 C ATOM 1615 CG LYS A 106 -22.530 5.072 -1.161 1.00 0.00 C ATOM 1616 CD LYS A 106 -22.454 4.973 -2.691 1.00 0.00 C ATOM 1617 CE LYS A 106 -23.842 5.075 -3.325 1.00 0.00 C ATOM 1618 NZ LYS A 106 -24.216 6.484 -3.558 1.00 0.00 N ATOM 0 H LYS A 106 -19.114 5.681 0.674 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.869 5.890 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.672 6.138 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -20.495 4.395 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -23.018 4.186 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -23.137 5.930 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -21.816 5.768 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -21.992 4.027 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -23.855 4.531 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -24.578 4.603 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -25.162 6.525 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -24.225 6.995 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -23.525 6.925 -4.197 1.00 0.00 H new ATOM 1632 N SER A 107 -20.592 2.842 1.362 1.00 0.00 N ATOM 1633 CA SER A 107 -20.762 1.455 1.778 1.00 0.00 C ATOM 1634 C SER A 107 -21.884 0.852 0.925 1.00 0.00 C ATOM 1635 O SER A 107 -23.051 0.892 1.310 1.00 0.00 O ATOM 1636 CB SER A 107 -20.973 1.320 3.292 1.00 0.00 C ATOM 1637 OG SER A 107 -19.903 1.933 4.004 1.00 0.00 O ATOM 0 H SER A 107 -19.683 3.012 0.933 1.00 0.00 H new ATOM 0 HA SER A 107 -19.849 0.885 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 107 -21.918 1.783 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 107 -21.041 0.266 3.563 1.00 0.00 H new ATOM 0 HG SER A 107 -20.055 1.839 4.968 1.00 0.00 H new ATOM 1643 N GLN A 108 -21.475 0.348 -0.246 1.00 0.00 N ATOM 1644 CA GLN A 108 -22.204 -0.295 -1.338 1.00 0.00 C ATOM 1645 C GLN A 108 -22.313 0.729 -2.455 1.00 0.00 C ATOM 1646 O GLN A 108 -21.724 0.478 -3.531 1.00 0.00 O ATOM 1647 CB GLN A 108 -23.578 -0.886 -0.957 1.00 0.00 C ATOM 1648 CG GLN A 108 -23.919 -2.160 -1.745 1.00 0.00 C ATOM 1649 CD GLN A 108 -23.959 -1.971 -3.260 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -24.733 -1.175 -3.791 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -23.143 -2.705 -3.996 1.00 0.00 N ATOM 0 H GLN A 108 -20.482 0.391 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 108 -21.645 -1.177 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -23.588 -1.111 0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -24.351 -0.138 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -23.184 -2.929 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -24.888 -2.531 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -22.505 -3.362 -3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -23.152 -2.614 -5.012 1.00 0.00 H new TER 1660 GLN A 108