USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=12 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 11 GLN : amide:sc= -0.415 K(o=-0.41,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.16) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0175 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 62 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-3.7!) USER MOD Single : A 63 CYS SG : rot 102:sc= -0.819 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 71 ASN : amide:sc= -0.0578 K(o=-0.058,f=-1.9!) USER MOD Single : A 72 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0818) 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 K(o=0,f=-0.76) USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0242) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.279 -6.408 -3.067 1.00 0.00 N ATOM 2 CA ALA A 1 14.176 -7.325 -2.737 1.00 0.00 C ATOM 3 C ALA A 1 12.836 -6.712 -3.138 1.00 0.00 C ATOM 4 O ALA A 1 12.381 -5.765 -2.496 1.00 0.00 O ATOM 5 CB ALA A 1 14.181 -7.693 -1.249 1.00 0.00 C ATOM 0 H1 ALA A 1 16.184 -6.839 -2.788 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.284 -6.225 -4.091 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.150 -5.512 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 1 14.322 -8.244 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.354 -8.371 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.123 -8.181 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.070 -6.789 -0.650 1.00 0.00 H new ATOM 11 N LEU A 2 12.190 -7.213 -4.194 1.00 0.00 N ATOM 12 CA LEU A 2 10.894 -6.738 -4.683 1.00 0.00 C ATOM 13 C LEU A 2 10.075 -7.958 -5.100 1.00 0.00 C ATOM 14 O LEU A 2 10.392 -8.583 -6.115 1.00 0.00 O ATOM 15 CB LEU A 2 11.056 -5.804 -5.903 1.00 0.00 C ATOM 16 CG LEU A 2 11.678 -4.429 -5.616 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.823 -3.628 -6.916 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.836 -3.611 -4.642 1.00 0.00 C ATOM 0 H LEU A 2 12.566 -7.983 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 2 10.401 -6.174 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.671 -6.312 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.075 -5.651 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 2 12.654 -4.614 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.265 -2.656 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.466 -4.171 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.841 -3.487 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.314 -2.647 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.843 -3.453 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.748 -4.148 -3.697 1.00 0.00 H new ATOM 30 N THR A 3 9.017 -8.295 -4.363 1.00 0.00 N ATOM 31 CA THR A 3 8.157 -9.445 -4.652 1.00 0.00 C ATOM 32 C THR A 3 6.683 -9.026 -4.675 1.00 0.00 C ATOM 33 O THR A 3 6.267 -8.179 -3.887 1.00 0.00 O ATOM 34 CB THR A 3 8.406 -10.491 -3.553 1.00 0.00 C ATOM 35 OG1 THR A 3 9.752 -10.935 -3.567 1.00 0.00 O ATOM 36 CG2 THR A 3 7.502 -11.722 -3.609 1.00 0.00 C ATOM 0 H THR A 3 8.728 -7.771 -3.537 1.00 0.00 H new ATOM 0 HA THR A 3 8.390 -9.859 -5.633 1.00 0.00 H new ATOM 0 HB THR A 3 8.168 -9.960 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.885 -11.598 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.757 -12.398 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.461 -11.414 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.643 -12.234 -4.561 1.00 0.00 H new ATOM 44 N THR A 4 5.892 -9.605 -5.575 1.00 0.00 N ATOM 45 CA THR A 4 4.459 -9.336 -5.687 1.00 0.00 C ATOM 46 C THR A 4 3.739 -10.372 -4.818 1.00 0.00 C ATOM 47 O THR A 4 4.252 -11.478 -4.614 1.00 0.00 O ATOM 48 CB THR A 4 4.028 -9.320 -7.163 1.00 0.00 C ATOM 49 OG1 THR A 4 2.700 -8.861 -7.306 1.00 0.00 O ATOM 50 CG2 THR A 4 4.126 -10.687 -7.835 1.00 0.00 C ATOM 0 H THR A 4 6.232 -10.283 -6.257 1.00 0.00 H new ATOM 0 HA THR A 4 4.191 -8.346 -5.319 1.00 0.00 H new ATOM 0 HB THR A 4 4.725 -8.640 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.455 -8.860 -8.255 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.807 -10.605 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.157 -11.037 -7.798 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.483 -11.396 -7.313 1.00 0.00 H new ATOM 58 N ILE A 5 2.556 -10.047 -4.307 1.00 0.00 N ATOM 59 CA ILE A 5 1.785 -10.933 -3.444 1.00 0.00 C ATOM 60 C ILE A 5 0.297 -10.749 -3.726 1.00 0.00 C ATOM 61 O ILE A 5 -0.152 -9.643 -4.038 1.00 0.00 O ATOM 62 CB ILE A 5 2.219 -10.700 -1.978 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.330 -11.431 -0.953 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.347 -9.211 -1.603 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.142 -11.883 0.260 1.00 0.00 C ATOM 0 H ILE A 5 2.101 -9.151 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 5 1.983 -11.985 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 5 3.215 -11.139 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.525 -10.771 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.863 -12.296 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.655 -9.123 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.092 -8.738 -2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.385 -8.717 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.488 -12.395 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.931 -12.563 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.588 -11.014 0.744 1.00 0.00 H new ATOM 77 N SER A 6 -0.443 -11.858 -3.658 1.00 0.00 N ATOM 78 CA SER A 6 -1.871 -11.875 -3.906 1.00 0.00 C ATOM 79 C SER A 6 -2.621 -11.096 -2.821 1.00 0.00 C ATOM 80 O SER A 6 -2.120 -10.929 -1.706 1.00 0.00 O ATOM 81 CB SER A 6 -2.326 -13.337 -4.025 1.00 0.00 C ATOM 82 OG SER A 6 -2.283 -14.006 -2.782 1.00 0.00 O ATOM 0 H SER A 6 -0.057 -12.773 -3.427 1.00 0.00 H new ATOM 0 HA SER A 6 -2.104 -11.370 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.341 -13.370 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.689 -13.858 -4.740 1.00 0.00 H new ATOM 0 HG SER A 6 -2.581 -14.932 -2.899 1.00 0.00 H new ATOM 88 N PRO A 7 -3.853 -10.643 -3.098 1.00 0.00 N ATOM 89 CA PRO A 7 -4.640 -9.892 -2.125 1.00 0.00 C ATOM 90 C PRO A 7 -5.191 -10.802 -1.025 1.00 0.00 C ATOM 91 O PRO A 7 -5.605 -10.337 0.029 1.00 0.00 O ATOM 92 CB PRO A 7 -5.769 -9.275 -2.945 1.00 0.00 C ATOM 93 CG PRO A 7 -5.983 -10.284 -4.076 1.00 0.00 C ATOM 94 CD PRO A 7 -4.573 -10.782 -4.354 1.00 0.00 C ATOM 0 HA PRO A 7 -4.043 -9.141 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.672 -9.143 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.495 -8.293 -3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.646 -11.095 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.428 -9.818 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.583 -11.820 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.100 -10.198 -5.143 1.00 0.00 H new ATOM 102 N HIS A 8 -5.230 -12.098 -1.310 1.00 0.00 N ATOM 103 CA HIS A 8 -5.711 -13.160 -0.455 1.00 0.00 C ATOM 104 C HIS A 8 -4.693 -13.408 0.650 1.00 0.00 C ATOM 105 O HIS A 8 -5.062 -13.487 1.818 1.00 0.00 O ATOM 106 CB HIS A 8 -5.922 -14.386 -1.342 1.00 0.00 C ATOM 107 CG HIS A 8 -6.530 -15.596 -0.688 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.171 -15.666 0.529 1.00 0.00 N ATOM 109 CD2 HIS A 8 -6.637 -16.820 -1.285 1.00 0.00 C ATOM 110 CE1 HIS A 8 -7.670 -16.907 0.646 1.00 0.00 C ATOM 111 NE2 HIS A 8 -7.369 -17.650 -0.434 1.00 0.00 N ATOM 0 H HIS A 8 -4.902 -12.452 -2.209 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.653 -12.908 0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.558 -14.096 -2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.957 -14.674 -1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.228 -17.097 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.237 -17.261 1.494 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.624 -18.624 -0.598 1.00 0.00 H new ATOM 119 N ASP A 9 -3.418 -13.520 0.278 1.00 0.00 N ATOM 120 CA ASP A 9 -2.333 -13.739 1.227 1.00 0.00 C ATOM 121 C ASP A 9 -2.115 -12.437 1.984 1.00 0.00 C ATOM 122 O ASP A 9 -1.939 -12.428 3.200 1.00 0.00 O ATOM 123 CB ASP A 9 -1.020 -14.073 0.508 1.00 0.00 C ATOM 124 CG ASP A 9 -0.874 -15.500 -0.007 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.719 -16.379 0.273 1.00 0.00 O ATOM 126 OD2 ASP A 9 0.141 -15.738 -0.703 1.00 0.00 O ATOM 0 H ASP A 9 -3.111 -13.461 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.601 -14.568 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.910 -13.392 -0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.195 -13.870 1.191 1.00 0.00 H new ATOM 131 N ALA A 10 -2.149 -11.319 1.252 1.00 0.00 N ATOM 132 CA ALA A 10 -1.951 -10.003 1.814 1.00 0.00 C ATOM 133 C ALA A 10 -2.973 -9.670 2.883 1.00 0.00 C ATOM 134 O ALA A 10 -2.572 -9.125 3.908 1.00 0.00 O ATOM 135 CB ALA A 10 -1.957 -8.961 0.694 1.00 0.00 C ATOM 0 H ALA A 10 -2.317 -11.315 0.246 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.980 -9.991 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.808 -7.969 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.154 -9.179 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.914 -8.992 0.173 1.00 0.00 H new ATOM 141 N GLN A 11 -4.249 -10.009 2.675 1.00 0.00 N ATOM 142 CA GLN A 11 -5.319 -9.758 3.637 1.00 0.00 C ATOM 143 C GLN A 11 -4.977 -10.355 5.007 1.00 0.00 C ATOM 144 O GLN A 11 -5.511 -9.923 6.030 1.00 0.00 O ATOM 145 CB GLN A 11 -6.593 -10.411 3.062 1.00 0.00 C ATOM 146 CG GLN A 11 -7.821 -10.386 3.984 1.00 0.00 C ATOM 147 CD GLN A 11 -8.001 -11.627 4.873 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.081 -12.396 5.127 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.192 -11.894 5.375 1.00 0.00 N ATOM 0 H GLN A 11 -4.568 -10.470 1.823 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.460 -8.688 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.850 -9.908 2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.368 -11.448 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.756 -9.507 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.714 -10.267 3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.978 -11.273 5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.327 -12.721 5.956 1.00 0.00 H new ATOM 158 N GLU A 12 -4.128 -11.380 5.018 1.00 0.00 N ATOM 159 CA GLU A 12 -3.731 -12.078 6.206 1.00 0.00 C ATOM 160 C GLU A 12 -2.632 -11.316 6.937 1.00 0.00 C ATOM 161 O GLU A 12 -2.853 -10.805 8.028 1.00 0.00 O ATOM 162 CB GLU A 12 -3.314 -13.500 5.797 1.00 0.00 C ATOM 163 CG GLU A 12 -3.579 -14.431 6.965 1.00 0.00 C ATOM 164 CD GLU A 12 -2.870 -15.772 6.813 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.995 -16.415 5.746 1.00 0.00 O ATOM 166 OE2 GLU A 12 -2.205 -16.186 7.788 1.00 0.00 O ATOM 0 H GLU A 12 -3.694 -11.746 4.171 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.556 -12.149 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.875 -13.822 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.259 -13.523 5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.252 -13.953 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.652 -14.599 7.056 1.00 0.00 H new ATOM 173 N LEU A 13 -1.448 -11.214 6.333 1.00 0.00 N ATOM 174 CA LEU A 13 -0.280 -10.541 6.902 1.00 0.00 C ATOM 175 C LEU A 13 -0.555 -9.111 7.370 1.00 0.00 C ATOM 176 O LEU A 13 -0.043 -8.699 8.412 1.00 0.00 O ATOM 177 CB LEU A 13 0.921 -10.664 5.950 1.00 0.00 C ATOM 178 CG LEU A 13 0.704 -10.236 4.495 1.00 0.00 C ATOM 179 CD1 LEU A 13 0.800 -8.738 4.228 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.742 -10.901 3.592 1.00 0.00 C ATOM 0 H LEU A 13 -1.270 -11.608 5.409 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.021 -11.060 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.739 -10.071 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.249 -11.703 5.952 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.319 -10.546 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.631 -8.546 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.047 -8.214 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.791 -8.381 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.579 -10.590 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.742 -10.603 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.646 -11.984 3.664 1.00 0.00 H new ATOM 192 N ILE A 14 -1.402 -8.363 6.664 1.00 0.00 N ATOM 193 CA ILE A 14 -1.755 -6.988 7.010 1.00 0.00 C ATOM 194 C ILE A 14 -2.432 -6.987 8.383 1.00 0.00 C ATOM 195 O ILE A 14 -2.077 -6.204 9.266 1.00 0.00 O ATOM 196 CB ILE A 14 -2.601 -6.399 5.847 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.822 -5.318 5.068 1.00 0.00 C ATOM 198 CG2 ILE A 14 -4.041 -6.022 6.218 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.116 -5.394 3.565 1.00 0.00 C ATOM 0 H ILE A 14 -1.869 -8.701 5.823 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.888 -6.335 7.113 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.760 -7.218 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.091 -4.331 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.753 -5.443 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.549 -5.621 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.570 -6.908 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.028 -5.269 7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.552 -4.620 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.823 -6.373 3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.182 -5.243 3.395 1.00 0.00 H new ATOM 211 N ALA A 15 -3.380 -7.906 8.573 1.00 0.00 N ATOM 212 CA ALA A 15 -4.152 -8.085 9.789 1.00 0.00 C ATOM 213 C ALA A 15 -3.327 -8.729 10.906 1.00 0.00 C ATOM 214 O ALA A 15 -3.876 -9.000 11.978 1.00 0.00 O ATOM 215 CB ALA A 15 -5.359 -8.965 9.450 1.00 0.00 C ATOM 0 H ALA A 15 -3.637 -8.573 7.846 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.469 -7.109 10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.961 -9.118 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.963 -8.475 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.013 -9.929 9.076 1.00 0.00 H new ATOM 221 N ARG A 16 -2.033 -8.980 10.673 1.00 0.00 N ATOM 222 CA ARG A 16 -1.095 -9.602 11.598 1.00 0.00 C ATOM 223 C ARG A 16 0.127 -8.725 11.883 1.00 0.00 C ATOM 224 O ARG A 16 0.924 -9.127 12.730 1.00 0.00 O ATOM 225 CB ARG A 16 -0.701 -10.979 11.032 1.00 0.00 C ATOM 226 CG ARG A 16 -1.921 -11.910 10.888 1.00 0.00 C ATOM 227 CD ARG A 16 -1.601 -13.197 10.118 1.00 0.00 C ATOM 228 NE ARG A 16 -0.537 -13.983 10.767 1.00 0.00 N ATOM 229 CZ ARG A 16 0.347 -14.767 10.136 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.106 -15.255 8.924 1.00 0.00 N ATOM 231 NH2 ARG A 16 1.495 -15.068 10.728 1.00 0.00 N ATOM 0 H ARG A 16 -1.595 -8.739 9.784 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.581 -9.727 12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.226 -10.850 10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.036 -11.444 11.687 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.294 -12.169 11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.721 -11.376 10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.502 -13.805 10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.296 -12.945 9.102 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.468 -13.925 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.770 -15.035 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.797 -15.850 8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.700 -14.703 11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.173 -15.664 10.253 1.00 0.00 H new ATOM 245 N GLY A 17 0.306 -7.572 11.223 1.00 0.00 N ATOM 246 CA GLY A 17 1.444 -6.689 11.482 1.00 0.00 C ATOM 247 C GLY A 17 2.056 -5.978 10.275 1.00 0.00 C ATOM 248 O GLY A 17 2.626 -4.899 10.465 1.00 0.00 O ATOM 0 H GLY A 17 -0.329 -7.231 10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.129 -5.931 12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.227 -7.276 11.963 1.00 0.00 H new ATOM 252 N ALA A 18 1.937 -6.519 9.054 1.00 0.00 N ATOM 253 CA ALA A 18 2.521 -5.895 7.863 1.00 0.00 C ATOM 254 C ALA A 18 1.966 -4.478 7.668 1.00 0.00 C ATOM 255 O ALA A 18 0.770 -4.240 7.860 1.00 0.00 O ATOM 256 CB ALA A 18 2.267 -6.753 6.625 1.00 0.00 C ATOM 0 H ALA A 18 1.440 -7.390 8.867 1.00 0.00 H new ATOM 0 HA ALA A 18 3.599 -5.821 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.708 -6.272 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.718 -7.736 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.193 -6.864 6.474 1.00 0.00 H new ATOM 262 N LYS A 19 2.820 -3.533 7.264 1.00 0.00 N ATOM 263 CA LYS A 19 2.447 -2.126 7.051 1.00 0.00 C ATOM 264 C LYS A 19 2.278 -1.839 5.567 1.00 0.00 C ATOM 265 O LYS A 19 3.151 -2.226 4.799 1.00 0.00 O ATOM 266 CB LYS A 19 3.502 -1.224 7.731 1.00 0.00 C ATOM 267 CG LYS A 19 2.938 -0.515 8.976 1.00 0.00 C ATOM 268 CD LYS A 19 2.352 -1.470 10.030 1.00 0.00 C ATOM 269 CE LYS A 19 0.994 -0.961 10.528 1.00 0.00 C ATOM 270 NZ LYS A 19 0.348 -1.924 11.435 1.00 0.00 N ATOM 0 H LYS A 19 3.804 -3.723 7.072 1.00 0.00 H new ATOM 0 HA LYS A 19 1.481 -1.910 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.364 -1.826 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.855 -0.479 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.731 0.074 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.162 0.184 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.238 -2.466 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.042 -1.561 10.869 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.129 -0.010 11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.342 -0.771 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.567 -1.544 11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.196 -2.823 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.958 -2.086 12.261 1.00 0.00 H new ATOM 284 N LEU A 20 1.201 -1.176 5.138 1.00 0.00 N ATOM 285 CA LEU A 20 0.963 -0.869 3.728 1.00 0.00 C ATOM 286 C LEU A 20 1.155 0.628 3.481 1.00 0.00 C ATOM 287 O LEU A 20 0.655 1.442 4.262 1.00 0.00 O ATOM 288 CB LEU A 20 -0.436 -1.373 3.372 1.00 0.00 C ATOM 289 CG LEU A 20 -0.867 -1.134 1.927 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.117 -1.671 0.897 1.00 0.00 C ATOM 291 CD2 LEU A 20 -2.197 -1.834 1.695 1.00 0.00 C ATOM 0 H LEU A 20 0.468 -0.837 5.761 1.00 0.00 H new ATOM 0 HA LEU A 20 1.679 -1.371 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.482 -2.443 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.157 -0.892 4.033 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.927 -0.054 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.257 -1.464 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.084 -1.187 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.229 -2.747 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.519 -1.672 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.082 -2.903 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.945 -1.429 2.377 1.00 0.00 H new ATOM 303 N ILE A 21 1.825 0.993 2.376 1.00 0.00 N ATOM 304 CA ILE A 21 2.134 2.371 1.989 1.00 0.00 C ATOM 305 C ILE A 21 1.447 2.776 0.686 1.00 0.00 C ATOM 306 O ILE A 21 1.557 2.112 -0.346 1.00 0.00 O ATOM 307 CB ILE A 21 3.661 2.578 1.908 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.422 1.981 3.103 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.016 4.072 1.795 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.009 2.547 4.462 1.00 0.00 C ATOM 0 H ILE A 21 2.177 0.309 1.706 1.00 0.00 H new ATOM 0 HA ILE A 21 1.736 3.026 2.764 1.00 0.00 H new ATOM 0 HB ILE A 21 3.975 2.046 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.271 0.902 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.489 2.152 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.099 4.186 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.561 4.487 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.640 4.603 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.595 2.071 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.187 3.622 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.950 2.352 4.631 1.00 0.00 H new ATOM 322 N ASP A 22 0.829 3.948 0.771 1.00 0.00 N ATOM 323 CA ASP A 22 0.024 4.734 -0.153 1.00 0.00 C ATOM 324 C ASP A 22 0.835 5.738 -0.974 1.00 0.00 C ATOM 325 O ASP A 22 0.652 6.948 -0.827 1.00 0.00 O ATOM 326 CB ASP A 22 -1.015 5.521 0.689 1.00 0.00 C ATOM 327 CG ASP A 22 -1.609 4.753 1.856 1.00 0.00 C ATOM 328 OD1 ASP A 22 -0.848 4.479 2.813 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.816 4.445 1.772 1.00 0.00 O ATOM 0 H ASP A 22 0.898 4.455 1.653 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.434 4.044 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.541 6.425 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.825 5.840 0.033 1.00 0.00 H new ATOM 334 N ILE A 23 1.696 5.298 -1.893 1.00 0.00 N ATOM 335 CA ILE A 23 2.485 6.255 -2.690 1.00 0.00 C ATOM 336 C ILE A 23 1.660 6.830 -3.866 1.00 0.00 C ATOM 337 O ILE A 23 2.185 7.124 -4.940 1.00 0.00 O ATOM 338 CB ILE A 23 3.786 5.564 -3.151 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.547 4.369 -4.105 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.598 5.081 -1.940 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.115 4.641 -5.492 1.00 0.00 C ATOM 0 H ILE A 23 1.867 4.315 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 23 2.752 7.115 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 23 4.340 6.320 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.009 3.473 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.478 4.170 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.512 4.596 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.854 5.933 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.005 4.370 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.930 3.781 -6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.634 5.522 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.189 4.814 -5.418 1.00 0.00 H new ATOM 353 N ARG A 24 0.368 7.075 -3.642 1.00 0.00 N ATOM 354 CA ARG A 24 -0.584 7.581 -4.625 1.00 0.00 C ATOM 355 C ARG A 24 -0.752 9.086 -4.544 1.00 0.00 C ATOM 356 O ARG A 24 -0.215 9.780 -5.397 1.00 0.00 O ATOM 357 CB ARG A 24 -1.936 6.825 -4.576 1.00 0.00 C ATOM 358 CG ARG A 24 -2.270 6.209 -3.209 1.00 0.00 C ATOM 359 CD ARG A 24 -3.763 5.848 -3.067 1.00 0.00 C ATOM 360 NE ARG A 24 -4.234 6.062 -1.687 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.466 5.840 -1.200 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.474 5.452 -1.974 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.706 6.024 0.090 1.00 0.00 N ATOM 0 H ARG A 24 -0.060 6.918 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.156 7.377 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.734 7.514 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.923 6.033 -5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.668 5.312 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.994 6.910 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.353 6.455 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.916 4.806 -3.349 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.545 6.420 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.325 5.313 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.396 5.293 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.957 6.333 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.640 5.857 0.464 1.00 0.00 H new ATOM 377 N ASP A 25 -1.543 9.571 -3.594 1.00 0.00 N ATOM 378 CA ASP A 25 -1.860 10.975 -3.344 1.00 0.00 C ATOM 379 C ASP A 25 -2.629 11.011 -2.017 1.00 0.00 C ATOM 380 O ASP A 25 -2.540 10.038 -1.266 1.00 0.00 O ATOM 381 CB ASP A 25 -2.716 11.546 -4.482 1.00 0.00 C ATOM 382 CG ASP A 25 -2.718 13.071 -4.389 1.00 0.00 C ATOM 383 OD1 ASP A 25 -1.631 13.668 -4.564 1.00 0.00 O ATOM 384 OD2 ASP A 25 -3.774 13.643 -4.034 1.00 0.00 O ATOM 0 H ASP A 25 -2.012 8.953 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.956 11.582 -3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.320 11.229 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.735 11.164 -4.415 1.00 0.00 H new ATOM 389 N ALA A 26 -3.371 12.078 -1.707 1.00 0.00 N ATOM 390 CA ALA A 26 -4.177 12.247 -0.504 1.00 0.00 C ATOM 391 C ALA A 26 -5.673 12.318 -0.854 1.00 0.00 C ATOM 392 O ALA A 26 -6.499 11.919 -0.036 1.00 0.00 O ATOM 393 CB ALA A 26 -3.728 13.517 0.229 1.00 0.00 C ATOM 0 H ALA A 26 -3.425 12.888 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.033 11.386 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.328 13.648 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.677 13.427 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.860 14.380 -0.424 1.00 0.00 H new ATOM 399 N ASP A 27 -6.019 12.765 -2.066 1.00 0.00 N ATOM 400 CA ASP A 27 -7.386 12.910 -2.555 1.00 0.00 C ATOM 401 C ASP A 27 -8.066 11.579 -2.876 1.00 0.00 C ATOM 402 O ASP A 27 -9.295 11.513 -2.868 1.00 0.00 O ATOM 403 CB ASP A 27 -7.376 13.749 -3.846 1.00 0.00 C ATOM 404 CG ASP A 27 -7.248 15.254 -3.636 1.00 0.00 C ATOM 405 OD1 ASP A 27 -6.972 15.976 -4.626 1.00 0.00 O ATOM 406 OD2 ASP A 27 -7.525 15.761 -2.529 1.00 0.00 O ATOM 0 H ASP A 27 -5.323 13.046 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.947 13.388 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.550 13.413 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.295 13.551 -4.397 1.00 0.00 H new ATOM 411 N GLU A 28 -7.310 10.520 -3.177 1.00 0.00 N ATOM 412 CA GLU A 28 -7.905 9.222 -3.505 1.00 0.00 C ATOM 413 C GLU A 28 -8.465 8.567 -2.238 1.00 0.00 C ATOM 414 O GLU A 28 -9.549 7.990 -2.280 1.00 0.00 O ATOM 415 CB GLU A 28 -6.896 8.308 -4.211 1.00 0.00 C ATOM 416 CG GLU A 28 -6.226 8.944 -5.441 1.00 0.00 C ATOM 417 CD GLU A 28 -7.194 9.407 -6.549 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.095 10.578 -6.988 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.062 8.615 -7.000 1.00 0.00 O ATOM 0 H GLU A 28 -6.290 10.535 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.728 9.384 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.123 8.019 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.404 7.394 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.638 9.801 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.528 8.224 -5.868 1.00 0.00 H new ATOM 426 N TYR A 29 -7.763 8.722 -1.108 1.00 0.00 N ATOM 427 CA TYR A 29 -8.127 8.198 0.218 1.00 0.00 C ATOM 428 C TYR A 29 -9.563 8.570 0.558 1.00 0.00 C ATOM 429 O TYR A 29 -10.330 7.753 1.065 1.00 0.00 O ATOM 430 CB TYR A 29 -7.182 8.779 1.295 1.00 0.00 C ATOM 431 CG TYR A 29 -7.649 8.679 2.739 1.00 0.00 C ATOM 432 CD1 TYR A 29 -7.238 7.604 3.548 1.00 0.00 C ATOM 433 CD2 TYR A 29 -8.461 9.694 3.290 1.00 0.00 C ATOM 434 CE1 TYR A 29 -7.650 7.541 4.889 1.00 0.00 C ATOM 435 CE2 TYR A 29 -8.893 9.621 4.626 1.00 0.00 C ATOM 436 CZ TYR A 29 -8.482 8.539 5.435 1.00 0.00 C ATOM 437 OH TYR A 29 -8.928 8.404 6.712 1.00 0.00 O ATOM 0 H TYR A 29 -6.885 9.240 -1.091 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.032 7.112 0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.220 8.273 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.010 9.830 1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.607 6.829 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.753 10.535 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.326 6.718 5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.536 10.388 5.031 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.490 9.172 6.945 1.00 0.00 H new ATOM 447 N LEU A 30 -9.910 9.824 0.289 1.00 0.00 N ATOM 448 CA LEU A 30 -11.208 10.409 0.528 1.00 0.00 C ATOM 449 C LEU A 30 -12.304 9.622 -0.189 1.00 0.00 C ATOM 450 O LEU A 30 -13.377 9.409 0.375 1.00 0.00 O ATOM 451 CB LEU A 30 -11.083 11.854 0.043 1.00 0.00 C ATOM 452 CG LEU A 30 -12.289 12.751 0.323 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.761 14.185 0.380 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.363 12.659 -0.770 1.00 0.00 C ATOM 0 H LEU A 30 -9.254 10.487 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.499 10.382 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.205 12.300 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.902 11.843 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.760 12.435 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.586 14.869 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.021 14.269 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.299 14.441 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.195 13.317 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.936 12.963 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.721 11.632 -0.843 1.00 0.00 H new ATOM 466 N ARG A 31 -12.052 9.220 -1.437 1.00 0.00 N ATOM 467 CA ARG A 31 -12.993 8.460 -2.245 1.00 0.00 C ATOM 468 C ARG A 31 -13.056 7.014 -1.775 1.00 0.00 C ATOM 469 O ARG A 31 -14.164 6.535 -1.531 1.00 0.00 O ATOM 470 CB ARG A 31 -12.625 8.590 -3.738 1.00 0.00 C ATOM 471 CG ARG A 31 -13.431 9.725 -4.393 1.00 0.00 C ATOM 472 CD ARG A 31 -14.821 9.206 -4.786 1.00 0.00 C ATOM 473 NE ARG A 31 -15.825 10.274 -4.911 1.00 0.00 N ATOM 474 CZ ARG A 31 -17.148 10.073 -4.976 1.00 0.00 C ATOM 475 NH1 ARG A 31 -17.639 8.845 -5.123 1.00 0.00 N ATOM 476 NH2 ARG A 31 -17.988 11.097 -4.908 1.00 0.00 N ATOM 0 H ARG A 31 -11.174 9.419 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.996 8.868 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.558 8.788 -3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.826 7.650 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.526 10.563 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.907 10.096 -5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.748 8.672 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.157 8.486 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.490 11.237 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.007 8.047 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.648 8.701 -5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.628 12.046 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.994 10.936 -4.958 1.00 0.00 H new ATOM 490 N GLU A 32 -11.928 6.310 -1.679 1.00 0.00 N ATOM 491 CA GLU A 32 -11.848 4.914 -1.237 1.00 0.00 C ATOM 492 C GLU A 32 -10.480 4.684 -0.589 1.00 0.00 C ATOM 493 O GLU A 32 -9.473 5.264 -1.015 1.00 0.00 O ATOM 494 CB GLU A 32 -11.902 3.946 -2.446 1.00 0.00 C ATOM 495 CG GLU A 32 -13.250 3.902 -3.205 1.00 0.00 C ATOM 496 CD GLU A 32 -13.353 2.894 -4.367 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.633 1.688 -4.139 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.316 3.326 -5.543 1.00 0.00 O ATOM 0 H GLU A 32 -11.017 6.705 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.679 4.731 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.118 4.227 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.670 2.941 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.039 3.677 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.453 4.898 -3.599 1.00 0.00 H new ATOM 505 N HIS A 33 -10.413 3.759 0.370 1.00 0.00 N ATOM 506 CA HIS A 33 -9.168 3.437 1.057 1.00 0.00 C ATOM 507 C HIS A 33 -8.607 2.138 0.468 1.00 0.00 C ATOM 508 O HIS A 33 -8.587 1.993 -0.750 1.00 0.00 O ATOM 509 CB HIS A 33 -9.386 3.447 2.575 1.00 0.00 C ATOM 510 CG HIS A 33 -8.149 3.663 3.425 1.00 0.00 C ATOM 511 ND1 HIS A 33 -8.146 4.152 4.714 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.841 3.419 3.090 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.872 4.190 5.139 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.044 3.756 4.181 1.00 0.00 N ATOM 0 H HIS A 33 -11.216 3.217 0.688 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.400 4.193 0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.107 4.229 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.839 2.498 2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.490 3.033 2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.560 4.524 6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.028 3.686 4.239 1.00 0.00 H new ATOM 522 N ILE A 34 -8.158 1.212 1.317 1.00 0.00 N ATOM 523 CA ILE A 34 -7.546 -0.083 1.009 1.00 0.00 C ATOM 524 C ILE A 34 -7.457 -0.938 2.300 1.00 0.00 C ATOM 525 O ILE A 34 -7.809 -0.432 3.373 1.00 0.00 O ATOM 526 CB ILE A 34 -6.117 0.219 0.443 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.847 -0.433 -0.937 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.995 0.122 1.501 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.484 -1.058 -1.250 1.00 0.00 C ATOM 0 H ILE A 34 -8.218 1.361 2.324 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.135 -0.643 0.283 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.098 1.281 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.597 -1.211 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.033 0.329 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.035 0.344 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.185 0.839 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.972 -0.886 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.492 -1.461 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.708 -0.297 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.281 -1.861 -0.542 1.00 0.00 H new ATOM 541 N PRO A 35 -6.989 -2.203 2.221 1.00 0.00 N ATOM 542 CA PRO A 35 -6.806 -3.082 3.357 1.00 0.00 C ATOM 543 C PRO A 35 -5.582 -2.659 4.179 1.00 0.00 C ATOM 544 O PRO A 35 -4.449 -2.976 3.828 1.00 0.00 O ATOM 545 CB PRO A 35 -6.647 -4.499 2.798 1.00 0.00 C ATOM 546 CG PRO A 35 -6.188 -4.320 1.353 1.00 0.00 C ATOM 547 CD PRO A 35 -6.565 -2.887 1.013 1.00 0.00 C ATOM 0 HA PRO A 35 -7.660 -3.035 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.917 -5.068 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.588 -5.047 2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.115 -4.483 1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.681 -5.029 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.714 -2.371 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.366 -2.875 0.274 1.00 0.00 H new ATOM 555 N GLU A 36 -5.832 -1.924 5.258 1.00 0.00 N ATOM 556 CA GLU A 36 -4.893 -1.433 6.251 1.00 0.00 C ATOM 557 C GLU A 36 -3.665 -0.624 5.794 1.00 0.00 C ATOM 558 O GLU A 36 -2.531 -1.088 5.913 1.00 0.00 O ATOM 559 CB GLU A 36 -4.513 -2.667 7.082 1.00 0.00 C ATOM 560 CG GLU A 36 -4.469 -2.351 8.576 1.00 0.00 C ATOM 561 CD GLU A 36 -5.839 -2.420 9.261 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.900 -2.490 8.588 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.863 -2.404 10.513 1.00 0.00 O ATOM 0 H GLU A 36 -6.785 -1.633 5.476 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.401 -0.648 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.234 -3.464 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.540 -3.037 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.792 -3.050 9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.053 -1.353 8.715 1.00 0.00 H new ATOM 570 N ALA A 37 -3.862 0.611 5.323 1.00 0.00 N ATOM 571 CA ALA A 37 -2.767 1.486 4.889 1.00 0.00 C ATOM 572 C ALA A 37 -2.730 2.770 5.720 1.00 0.00 C ATOM 573 O ALA A 37 -3.496 2.923 6.678 1.00 0.00 O ATOM 574 CB ALA A 37 -2.840 1.735 3.393 1.00 0.00 C ATOM 0 H ALA A 37 -4.786 1.033 5.232 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.817 0.984 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.019 2.386 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.764 0.786 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.789 2.212 3.149 1.00 0.00 H new ATOM 580 N ASP A 38 -1.780 3.653 5.416 1.00 0.00 N ATOM 581 CA ASP A 38 -1.565 4.923 6.096 1.00 0.00 C ATOM 582 C ASP A 38 -1.797 6.047 5.083 1.00 0.00 C ATOM 583 O ASP A 38 -2.920 6.195 4.601 1.00 0.00 O ATOM 584 CB ASP A 38 -0.182 4.868 6.772 1.00 0.00 C ATOM 585 CG ASP A 38 -0.269 4.400 8.222 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.647 3.235 8.491 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.073 5.211 9.116 1.00 0.00 O ATOM 0 H ASP A 38 -1.115 3.494 4.659 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.267 5.126 6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.468 4.195 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.277 5.856 6.737 1.00 0.00 H new ATOM 592 N LEU A 39 -0.785 6.872 4.808 1.00 0.00 N ATOM 593 CA LEU A 39 -0.787 7.981 3.859 1.00 0.00 C ATOM 594 C LEU A 39 0.641 8.516 3.733 1.00 0.00 C ATOM 595 O LEU A 39 1.175 9.106 4.679 1.00 0.00 O ATOM 596 CB LEU A 39 -1.775 9.095 4.260 1.00 0.00 C ATOM 597 CG LEU A 39 -1.814 10.285 3.281 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.974 9.874 1.813 1.00 0.00 C ATOM 599 CD2 LEU A 39 -3.003 11.188 3.626 1.00 0.00 C ATOM 0 H LEU A 39 0.117 6.774 5.275 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.131 7.616 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.775 8.668 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.509 9.462 5.251 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.855 10.791 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.993 10.765 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.137 9.241 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.906 9.323 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.033 12.030 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.929 10.618 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.895 11.559 4.645 1.00 0.00 H new ATOM 611 N ALA A 40 1.305 8.263 2.605 1.00 0.00 N ATOM 612 CA ALA A 40 2.665 8.711 2.316 1.00 0.00 C ATOM 613 C ALA A 40 2.827 8.735 0.793 1.00 0.00 C ATOM 614 O ALA A 40 3.385 7.786 0.240 1.00 0.00 O ATOM 615 CB ALA A 40 3.686 7.794 3.004 1.00 0.00 C ATOM 0 H ALA A 40 0.896 7.722 1.843 1.00 0.00 H new ATOM 0 HA ALA A 40 2.845 9.712 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.695 8.140 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.526 7.816 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.563 6.774 2.639 1.00 0.00 H new ATOM 621 N PRO A 41 2.324 9.781 0.111 1.00 0.00 N ATOM 622 CA PRO A 41 2.430 9.879 -1.333 1.00 0.00 C ATOM 623 C PRO A 41 3.892 9.999 -1.768 1.00 0.00 C ATOM 624 O PRO A 41 4.768 10.368 -0.979 1.00 0.00 O ATOM 625 CB PRO A 41 1.567 11.071 -1.736 1.00 0.00 C ATOM 626 CG PRO A 41 1.515 11.948 -0.489 1.00 0.00 C ATOM 627 CD PRO A 41 1.643 10.948 0.659 1.00 0.00 C ATOM 0 HA PRO A 41 2.071 8.982 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.001 11.607 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.569 10.754 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.325 12.677 -0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.581 12.508 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.209 11.376 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.662 10.678 1.050 1.00 0.00 H new ATOM 635 N LEU A 42 4.140 9.726 -3.053 1.00 0.00 N ATOM 636 CA LEU A 42 5.456 9.755 -3.696 1.00 0.00 C ATOM 637 C LEU A 42 6.259 11.006 -3.336 1.00 0.00 C ATOM 638 O LEU A 42 7.458 10.911 -3.080 1.00 0.00 O ATOM 639 CB LEU A 42 5.275 9.595 -5.218 1.00 0.00 C ATOM 640 CG LEU A 42 6.610 9.617 -5.999 1.00 0.00 C ATOM 641 CD1 LEU A 42 6.598 8.571 -7.117 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.903 10.995 -6.607 1.00 0.00 C ATOM 0 H LEU A 42 3.396 9.468 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 42 6.046 8.920 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.760 8.655 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.633 10.395 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 42 7.396 9.385 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.546 8.602 -7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.458 7.580 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.782 8.785 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.850 10.961 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.103 11.266 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.964 11.738 -5.812 1.00 0.00 H new ATOM 654 N SER A 43 5.599 12.158 -3.258 1.00 0.00 N ATOM 655 CA SER A 43 6.195 13.441 -2.928 1.00 0.00 C ATOM 656 C SER A 43 6.950 13.410 -1.585 1.00 0.00 C ATOM 657 O SER A 43 7.995 14.052 -1.460 1.00 0.00 O ATOM 658 CB SER A 43 5.070 14.491 -2.937 1.00 0.00 C ATOM 659 OG SER A 43 4.197 14.260 -4.037 1.00 0.00 O ATOM 0 H SER A 43 4.596 12.222 -3.430 1.00 0.00 H new ATOM 0 HA SER A 43 6.952 13.698 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.511 14.445 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.496 15.492 -3.004 1.00 0.00 H new ATOM 0 HG SER A 43 3.483 14.931 -4.035 1.00 0.00 H new ATOM 665 N VAL A 44 6.445 12.682 -0.583 1.00 0.00 N ATOM 666 CA VAL A 44 7.065 12.575 0.739 1.00 0.00 C ATOM 667 C VAL A 44 8.220 11.572 0.681 1.00 0.00 C ATOM 668 O VAL A 44 9.287 11.829 1.242 1.00 0.00 O ATOM 669 CB VAL A 44 6.022 12.178 1.808 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.579 12.450 3.212 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.699 12.947 1.656 1.00 0.00 C ATOM 0 H VAL A 44 5.583 12.144 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 44 7.464 13.548 1.028 1.00 0.00 H new ATOM 0 HB VAL A 44 5.820 11.116 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.837 12.167 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.487 11.866 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.809 13.511 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.002 12.630 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.887 14.016 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.269 12.741 0.676 1.00 0.00 H new ATOM 681 N LEU A 45 8.025 10.444 -0.015 1.00 0.00 N ATOM 682 CA LEU A 45 9.041 9.404 -0.176 1.00 0.00 C ATOM 683 C LEU A 45 10.305 10.006 -0.805 1.00 0.00 C ATOM 684 O LEU A 45 11.421 9.675 -0.414 1.00 0.00 O ATOM 685 CB LEU A 45 8.495 8.287 -1.080 1.00 0.00 C ATOM 686 CG LEU A 45 7.506 7.272 -0.474 1.00 0.00 C ATOM 687 CD1 LEU A 45 8.243 6.070 0.121 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.608 7.794 0.653 1.00 0.00 C ATOM 0 H LEU A 45 7.146 10.229 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 45 9.290 8.990 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.006 8.759 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.346 7.729 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 45 6.878 7.022 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.520 5.371 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.817 5.572 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.918 6.410 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.956 6.992 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.227 8.141 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.001 8.620 0.282 1.00 0.00 H new ATOM 700 N GLU A 46 10.122 10.902 -1.770 1.00 0.00 N ATOM 701 CA GLU A 46 11.171 11.601 -2.482 1.00 0.00 C ATOM 702 C GLU A 46 11.919 12.519 -1.515 1.00 0.00 C ATOM 703 O GLU A 46 13.142 12.445 -1.405 1.00 0.00 O ATOM 704 CB GLU A 46 10.495 12.412 -3.594 1.00 0.00 C ATOM 705 CG GLU A 46 10.199 11.580 -4.844 1.00 0.00 C ATOM 706 CD GLU A 46 11.447 11.434 -5.713 1.00 0.00 C ATOM 707 OE1 GLU A 46 11.581 12.222 -6.676 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.279 10.540 -5.442 1.00 0.00 O ATOM 0 H GLU A 46 9.190 11.169 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 46 11.896 10.908 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.564 12.832 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.136 13.251 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.838 10.594 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.404 12.053 -5.420 1.00 0.00 H new ATOM 715 N GLN A 47 11.188 13.368 -0.783 1.00 0.00 N ATOM 716 CA GLN A 47 11.764 14.305 0.170 1.00 0.00 C ATOM 717 C GLN A 47 12.514 13.598 1.288 1.00 0.00 C ATOM 718 O GLN A 47 13.496 14.129 1.804 1.00 0.00 O ATOM 719 CB GLN A 47 10.651 15.161 0.783 1.00 0.00 C ATOM 720 CG GLN A 47 10.186 16.274 -0.160 1.00 0.00 C ATOM 721 CD GLN A 47 8.978 17.005 0.418 1.00 0.00 C ATOM 722 OE1 GLN A 47 8.918 17.279 1.614 1.00 0.00 O ATOM 723 NE2 GLN A 47 7.990 17.366 -0.382 1.00 0.00 N ATOM 0 H GLN A 47 10.171 13.419 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 47 12.475 14.927 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.803 14.524 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.006 15.602 1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.999 16.981 -0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.930 15.851 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.031 17.143 -1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.186 17.868 -0.005 1.00 0.00 H new ATOM 732 N SER A 48 12.078 12.415 1.709 1.00 0.00 N ATOM 733 CA SER A 48 12.731 11.694 2.777 1.00 0.00 C ATOM 734 C SER A 48 12.691 10.200 2.506 1.00 0.00 C ATOM 735 O SER A 48 13.704 9.624 2.112 1.00 0.00 O ATOM 736 CB SER A 48 12.032 12.069 4.082 1.00 0.00 C ATOM 737 OG SER A 48 12.072 13.472 4.312 1.00 0.00 O ATOM 0 H SER A 48 11.266 11.938 1.317 1.00 0.00 H new ATOM 0 HA SER A 48 13.785 11.963 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.995 11.734 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.509 11.550 4.913 1.00 0.00 H new ATOM 0 HG SER A 48 11.615 13.679 5.154 1.00 0.00 H new ATOM 743 N GLY A 49 11.526 9.581 2.681 1.00 0.00 N ATOM 744 CA GLY A 49 11.351 8.164 2.483 1.00 0.00 C ATOM 745 C GLY A 49 10.243 7.683 3.400 1.00 0.00 C ATOM 746 O GLY A 49 9.253 8.377 3.642 1.00 0.00 O ATOM 0 H GLY A 49 10.674 10.064 2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.100 7.955 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.279 7.634 2.699 1.00 0.00 H new ATOM 750 N LEU A 50 10.413 6.449 3.853 1.00 0.00 N ATOM 751 CA LEU A 50 9.531 5.726 4.741 1.00 0.00 C ATOM 752 C LEU A 50 9.711 6.250 6.173 1.00 0.00 C ATOM 753 O LEU A 50 10.824 6.152 6.699 1.00 0.00 O ATOM 754 CB LEU A 50 9.926 4.246 4.638 1.00 0.00 C ATOM 755 CG LEU A 50 9.020 3.290 5.423 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.609 3.255 4.821 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.656 1.904 5.328 1.00 0.00 C ATOM 0 H LEU A 50 11.227 5.894 3.589 1.00 0.00 H new ATOM 0 HA LEU A 50 8.482 5.856 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.919 3.953 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.950 4.131 4.994 1.00 0.00 H new ATOM 0 HG LEU A 50 8.926 3.618 6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.985 2.570 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.175 4.254 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.663 2.916 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.045 1.185 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.721 1.605 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.656 1.932 5.760 1.00 0.00 H new ATOM 769 N PRO A 51 8.685 6.823 6.822 1.00 0.00 N ATOM 770 CA PRO A 51 8.815 7.321 8.186 1.00 0.00 C ATOM 771 C PRO A 51 8.997 6.167 9.170 1.00 0.00 C ATOM 772 O PRO A 51 8.463 5.076 8.947 1.00 0.00 O ATOM 773 CB PRO A 51 7.498 8.017 8.505 1.00 0.00 C ATOM 774 CG PRO A 51 6.501 7.360 7.558 1.00 0.00 C ATOM 775 CD PRO A 51 7.334 7.018 6.329 1.00 0.00 C ATOM 0 HA PRO A 51 9.677 7.982 8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.213 7.875 9.547 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.562 9.092 8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.057 6.468 8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.681 8.034 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.961 6.119 5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.296 7.821 5.593 1.00 0.00 H new ATOM 783 N ALA A 52 9.598 6.452 10.332 1.00 0.00 N ATOM 784 CA ALA A 52 9.838 5.444 11.354 1.00 0.00 C ATOM 785 C ALA A 52 8.540 4.745 11.787 1.00 0.00 C ATOM 786 O ALA A 52 8.535 3.542 12.035 1.00 0.00 O ATOM 787 CB ALA A 52 10.607 6.023 12.541 1.00 0.00 C ATOM 0 H ALA A 52 9.927 7.384 10.583 1.00 0.00 H new ATOM 0 HA ALA A 52 10.470 4.675 10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.769 5.243 13.285 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.569 6.404 12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.032 6.835 12.986 1.00 0.00 H new ATOM 793 N LYS A 53 7.406 5.458 11.806 1.00 0.00 N ATOM 794 CA LYS A 53 6.131 4.855 12.194 1.00 0.00 C ATOM 795 C LYS A 53 5.801 3.593 11.383 1.00 0.00 C ATOM 796 O LYS A 53 5.235 2.662 11.954 1.00 0.00 O ATOM 797 CB LYS A 53 4.987 5.868 12.167 1.00 0.00 C ATOM 798 CG LYS A 53 4.634 6.345 10.760 1.00 0.00 C ATOM 799 CD LYS A 53 3.539 7.399 10.795 1.00 0.00 C ATOM 800 CE LYS A 53 2.167 6.781 11.079 1.00 0.00 C ATOM 801 NZ LYS A 53 1.109 7.807 11.160 1.00 0.00 N ATOM 0 H LYS A 53 7.349 6.446 11.559 1.00 0.00 H new ATOM 0 HA LYS A 53 6.248 4.532 13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.104 5.420 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.259 6.729 12.777 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.522 6.755 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.308 5.498 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.770 8.139 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.510 7.926 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.921 6.066 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.206 6.225 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.195 7.349 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.331 8.475 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.054 8.321 10.258 1.00 0.00 H new ATOM 815 N LEU A 54 6.162 3.557 10.091 1.00 0.00 N ATOM 816 CA LEU A 54 5.925 2.455 9.172 1.00 0.00 C ATOM 817 C LEU A 54 7.258 1.881 8.658 1.00 0.00 C ATOM 818 O LEU A 54 7.284 1.286 7.587 1.00 0.00 O ATOM 819 CB LEU A 54 5.174 3.066 7.959 1.00 0.00 C ATOM 820 CG LEU A 54 3.734 3.567 8.208 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.482 4.939 7.561 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.682 2.609 7.658 1.00 0.00 C ATOM 0 H LEU A 54 6.649 4.336 9.647 1.00 0.00 H new ATOM 0 HA LEU A 54 5.368 1.659 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.763 3.902 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.140 2.316 7.168 1.00 0.00 H new ATOM 0 HG LEU A 54 3.644 3.636 9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.458 5.253 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.174 5.671 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.636 4.867 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.687 3.007 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.818 2.498 6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.788 1.637 8.140 1.00 0.00 H new ATOM 834 N ARG A 55 8.313 1.835 9.478 1.00 0.00 N ATOM 835 CA ARG A 55 9.632 1.305 9.067 1.00 0.00 C ATOM 836 C ARG A 55 9.859 -0.175 9.420 1.00 0.00 C ATOM 837 O ARG A 55 10.997 -0.647 9.436 1.00 0.00 O ATOM 838 CB ARG A 55 10.742 2.201 9.626 1.00 0.00 C ATOM 839 CG ARG A 55 10.957 1.934 11.127 1.00 0.00 C ATOM 840 CD ARG A 55 12.384 1.476 11.409 1.00 0.00 C ATOM 841 NE ARG A 55 12.418 0.623 12.599 1.00 0.00 N ATOM 842 CZ ARG A 55 12.770 -0.661 12.605 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.917 -1.324 11.461 1.00 0.00 N ATOM 844 NH2 ARG A 55 12.977 -1.276 13.764 1.00 0.00 N ATOM 0 H ARG A 55 8.285 2.161 10.444 1.00 0.00 H new ATOM 0 HA ARG A 55 9.656 1.329 7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.670 2.020 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.482 3.248 9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.745 2.840 11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.255 1.173 11.468 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.774 0.930 10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.029 2.342 11.556 1.00 0.00 H new ATOM 0 HE ARG A 55 12.152 1.044 13.489 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.760 -0.849 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.187 -2.308 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.866 -0.765 14.640 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.247 -2.260 13.778 1.00 0.00 H new ATOM 858 N HIS A 56 8.781 -0.850 9.809 1.00 0.00 N ATOM 859 CA HIS A 56 8.708 -2.257 10.195 1.00 0.00 C ATOM 860 C HIS A 56 9.480 -3.179 9.240 1.00 0.00 C ATOM 861 O HIS A 56 9.674 -2.872 8.068 1.00 0.00 O ATOM 862 CB HIS A 56 7.230 -2.675 10.284 1.00 0.00 C ATOM 863 CG HIS A 56 6.528 -2.326 11.576 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.960 -1.462 12.563 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.334 -2.860 11.985 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.023 -1.454 13.526 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.012 -2.287 13.222 1.00 0.00 N ATOM 0 H HIS A 56 7.870 -0.396 9.867 1.00 0.00 H new ATOM 0 HA HIS A 56 9.187 -2.364 11.168 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.689 -2.209 9.460 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.167 -3.753 10.137 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.747 -3.591 11.450 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.075 -0.858 14.425 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.177 -2.466 13.781 1.00 0.00 H new ATOM 875 N GLU A 57 9.866 -4.352 9.744 1.00 0.00 N ATOM 876 CA GLU A 57 10.625 -5.377 9.025 1.00 0.00 C ATOM 877 C GLU A 57 9.947 -5.883 7.749 1.00 0.00 C ATOM 878 O GLU A 57 10.653 -6.304 6.833 1.00 0.00 O ATOM 879 CB GLU A 57 10.881 -6.566 9.966 1.00 0.00 C ATOM 880 CG GLU A 57 11.900 -6.232 11.059 1.00 0.00 C ATOM 881 CD GLU A 57 11.797 -7.161 12.274 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.814 -7.777 12.657 1.00 0.00 O ATOM 883 OE2 GLU A 57 10.705 -7.245 12.891 1.00 0.00 O ATOM 0 H GLU A 57 9.650 -4.625 10.703 1.00 0.00 H new ATOM 0 HA GLU A 57 11.555 -4.905 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.942 -6.870 10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.240 -7.416 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.906 -6.296 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.754 -5.201 11.382 1.00 0.00 H new ATOM 890 N GLN A 58 8.613 -5.869 7.675 1.00 0.00 N ATOM 891 CA GLN A 58 7.843 -6.324 6.525 1.00 0.00 C ATOM 892 C GLN A 58 6.780 -5.275 6.214 1.00 0.00 C ATOM 893 O GLN A 58 5.919 -4.977 7.049 1.00 0.00 O ATOM 894 CB GLN A 58 7.224 -7.704 6.803 1.00 0.00 C ATOM 895 CG GLN A 58 8.237 -8.851 6.591 1.00 0.00 C ATOM 896 CD GLN A 58 7.703 -10.210 7.052 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.031 -10.292 8.079 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.020 -11.294 6.363 1.00 0.00 N ATOM 0 H GLN A 58 8.027 -5.530 8.438 1.00 0.00 H new ATOM 0 HA GLN A 58 8.490 -6.440 5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.853 -7.734 7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.366 -7.854 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.498 -8.908 5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.155 -8.624 7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.578 -11.213 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.707 -12.211 6.682 1.00 0.00 H new ATOM 907 N ILE A 59 6.868 -4.667 5.032 1.00 0.00 N ATOM 908 CA ILE A 59 5.928 -3.653 4.579 1.00 0.00 C ATOM 909 C ILE A 59 5.497 -3.997 3.146 1.00 0.00 C ATOM 910 O ILE A 59 6.108 -4.824 2.472 1.00 0.00 O ATOM 911 CB ILE A 59 6.428 -2.205 4.834 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.557 -1.374 3.549 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.621 -2.053 5.810 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.153 -0.003 3.769 1.00 0.00 C ATOM 0 H ILE A 59 7.605 -4.870 4.356 1.00 0.00 H new ATOM 0 HA ILE A 59 5.021 -3.668 5.183 1.00 0.00 H new ATOM 0 HB ILE A 59 5.613 -1.756 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.175 -1.919 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.571 -1.264 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.879 -0.999 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.345 -2.451 6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.479 -2.603 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.213 0.525 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.524 0.561 4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.153 -0.104 4.191 1.00 0.00 H new ATOM 926 N ILE A 60 4.425 -3.391 2.658 1.00 0.00 N ATOM 927 CA ILE A 60 3.885 -3.586 1.328 1.00 0.00 C ATOM 928 C ILE A 60 3.652 -2.196 0.744 1.00 0.00 C ATOM 929 O ILE A 60 3.457 -1.214 1.461 1.00 0.00 O ATOM 930 CB ILE A 60 2.613 -4.465 1.398 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.961 -5.832 2.028 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.966 -4.653 0.012 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.966 -6.961 1.755 1.00 0.00 C ATOM 0 H ILE A 60 3.886 -2.720 3.206 1.00 0.00 H new ATOM 0 HA ILE A 60 4.566 -4.127 0.671 1.00 0.00 H new ATOM 0 HB ILE A 60 1.882 -3.953 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.941 -6.140 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.048 -5.702 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.077 -5.276 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.686 -3.681 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.677 -5.135 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.308 -7.873 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.987 -6.685 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.893 -7.130 0.681 1.00 0.00 H new ATOM 945 N PHE A 61 3.659 -2.110 -0.578 1.00 0.00 N ATOM 946 CA PHE A 61 3.445 -0.901 -1.334 1.00 0.00 C ATOM 947 C PHE A 61 2.298 -1.133 -2.310 1.00 0.00 C ATOM 948 O PHE A 61 2.142 -2.222 -2.874 1.00 0.00 O ATOM 949 CB PHE A 61 4.741 -0.547 -2.073 1.00 0.00 C ATOM 950 CG PHE A 61 5.685 0.316 -1.262 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.464 1.700 -1.171 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.776 -0.254 -0.586 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.328 2.506 -0.408 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.661 0.559 0.143 1.00 0.00 C ATOM 955 CZ PHE A 61 7.439 1.940 0.235 1.00 0.00 C ATOM 0 H PHE A 61 3.822 -2.922 -1.173 1.00 0.00 H new ATOM 0 HA PHE A 61 3.181 -0.070 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.253 -1.468 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.492 -0.028 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.628 2.147 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.936 -1.321 -0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.135 3.565 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.516 0.118 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.118 2.564 0.797 1.00 0.00 H new ATOM 965 N HIS A 62 1.488 -0.096 -2.489 1.00 0.00 N ATOM 966 CA HIS A 62 0.353 -0.034 -3.391 1.00 0.00 C ATOM 967 C HIS A 62 0.290 1.410 -3.886 1.00 0.00 C ATOM 968 O HIS A 62 1.095 2.260 -3.496 1.00 0.00 O ATOM 969 CB HIS A 62 -0.968 -0.440 -2.727 1.00 0.00 C ATOM 970 CG HIS A 62 -1.569 0.655 -1.887 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.191 0.994 -0.615 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.566 1.516 -2.270 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.967 2.008 -0.216 1.00 0.00 C ATOM 974 NE2 HIS A 62 -2.792 2.389 -1.207 1.00 0.00 N ATOM 0 H HIS A 62 1.618 0.775 -1.975 1.00 0.00 H new ATOM 0 HA HIS A 62 0.488 -0.745 -4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.681 -0.730 -3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.799 -1.317 -2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.081 1.517 -3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.935 2.458 0.765 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.454 3.165 -1.185 1.00 0.00 H new ATOM 982 N CYS A 63 -0.630 1.675 -4.802 1.00 0.00 N ATOM 983 CA CYS A 63 -0.882 2.968 -5.393 1.00 0.00 C ATOM 984 C CYS A 63 -2.265 2.853 -6.048 1.00 0.00 C ATOM 985 O CYS A 63 -2.986 1.877 -5.816 1.00 0.00 O ATOM 986 CB CYS A 63 0.260 3.288 -6.373 1.00 0.00 C ATOM 987 SG CYS A 63 0.266 5.032 -6.853 1.00 0.00 S ATOM 0 H CYS A 63 -1.250 0.952 -5.168 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.899 3.795 -4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.215 3.035 -5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.160 2.667 -7.263 1.00 0.00 H new ATOM 0 HG CYS A 63 1.185 5.663 -6.184 1.00 0.00 H new ATOM 993 N GLN A 64 -2.633 3.858 -6.833 1.00 0.00 N ATOM 994 CA GLN A 64 -3.883 3.946 -7.566 1.00 0.00 C ATOM 995 C GLN A 64 -4.005 2.719 -8.496 1.00 0.00 C ATOM 996 O GLN A 64 -2.993 2.096 -8.842 1.00 0.00 O ATOM 997 CB GLN A 64 -3.807 5.267 -8.351 1.00 0.00 C ATOM 998 CG GLN A 64 -5.128 5.737 -8.971 1.00 0.00 C ATOM 999 CD GLN A 64 -4.912 6.216 -10.396 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -5.140 5.482 -11.355 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -4.393 7.414 -10.583 1.00 0.00 N ATOM 0 H GLN A 64 -2.036 4.672 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.763 3.942 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.440 6.047 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.070 5.156 -9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.850 4.921 -8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.550 6.543 -8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.206 8.019 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.179 7.735 -11.527 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.210 2.440 -9.003 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.536 1.323 -9.889 1.00 0.00 C ATOM 1012 C ALA A 65 -5.100 1.618 -11.329 1.00 0.00 C ATOM 1013 O ALA A 65 -5.896 1.605 -12.272 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.048 1.083 -9.832 1.00 0.00 C ATOM 0 H ALA A 65 -6.024 3.018 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.002 0.432 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.310 0.252 -10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.340 0.844 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.572 1.982 -10.158 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.820 1.933 -11.488 1.00 0.00 N ATOM 1021 CA GLY A 66 -3.149 2.237 -12.736 1.00 0.00 C ATOM 1022 C GLY A 66 -1.791 1.542 -12.779 1.00 0.00 C ATOM 1023 O GLY A 66 -0.927 1.983 -13.538 1.00 0.00 O ATOM 0 H GLY A 66 -3.185 1.985 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.761 1.911 -13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.019 3.315 -12.836 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.570 0.511 -11.939 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.324 -0.255 -11.853 1.00 0.00 C ATOM 1029 C LYS A 67 0.865 0.713 -11.775 1.00 0.00 C ATOM 1030 O LYS A 67 1.759 0.714 -12.622 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.329 -1.251 -13.026 1.00 0.00 C ATOM 1032 CG LYS A 67 0.742 -2.337 -12.917 1.00 0.00 C ATOM 1033 CD LYS A 67 0.574 -3.356 -14.044 1.00 0.00 C ATOM 1034 CE LYS A 67 1.497 -4.550 -13.788 1.00 0.00 C ATOM 1035 NZ LYS A 67 1.189 -5.687 -14.674 1.00 0.00 N ATOM 0 H LYS A 67 -2.280 0.183 -11.284 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.231 -0.851 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.309 -1.725 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.184 -0.703 -13.957 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.734 -1.887 -12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.668 -2.836 -11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.463 -3.688 -14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.812 -2.897 -15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.533 -4.245 -13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.403 -4.865 -12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.837 -6.474 -14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.209 -5.995 -14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.304 -5.395 -15.666 1.00 0.00 H new ATOM 1049 N ARG A 68 0.881 1.551 -10.732 1.00 0.00 N ATOM 1050 CA ARG A 68 1.894 2.589 -10.497 1.00 0.00 C ATOM 1051 C ARG A 68 3.007 2.272 -9.496 1.00 0.00 C ATOM 1052 O ARG A 68 3.835 3.148 -9.245 1.00 0.00 O ATOM 1053 CB ARG A 68 1.146 3.878 -10.087 1.00 0.00 C ATOM 1054 CG ARG A 68 0.253 4.486 -11.177 1.00 0.00 C ATOM 1055 CD ARG A 68 1.102 4.945 -12.361 1.00 0.00 C ATOM 1056 NE ARG A 68 0.290 5.572 -13.405 1.00 0.00 N ATOM 1057 CZ ARG A 68 0.674 5.714 -14.676 1.00 0.00 C ATOM 1058 NH1 ARG A 68 1.867 5.272 -15.073 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -0.140 6.302 -15.542 1.00 0.00 N ATOM 0 H ARG A 68 0.167 1.525 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 68 2.444 2.687 -11.433 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.531 3.661 -9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.880 4.624 -9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.479 3.750 -11.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.305 5.330 -10.771 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.856 5.652 -12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.634 4.090 -12.779 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.631 5.924 -13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.493 4.822 -14.405 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.154 5.383 -16.045 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.052 6.642 -15.235 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.145 6.415 -16.515 1.00 0.00 H new ATOM 1073 N THR A 69 3.075 1.075 -8.922 1.00 0.00 N ATOM 1074 CA THR A 69 4.114 0.726 -7.953 1.00 0.00 C ATOM 1075 C THR A 69 5.407 0.252 -8.608 1.00 0.00 C ATOM 1076 O THR A 69 6.397 0.976 -8.510 1.00 0.00 O ATOM 1077 CB THR A 69 3.592 -0.324 -6.984 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.778 -1.228 -7.709 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.805 0.335 -5.856 1.00 0.00 C ATOM 0 H THR A 69 2.415 0.321 -9.113 1.00 0.00 H new ATOM 0 HA THR A 69 4.360 1.638 -7.409 1.00 0.00 H new ATOM 0 HB THR A 69 4.423 -0.862 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.432 -1.915 -7.102 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.439 -0.431 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.453 1.025 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.960 0.883 -6.273 1.00 0.00 H new ATOM 1087 N SER A 70 5.410 -0.911 -9.288 1.00 0.00 N ATOM 1088 CA SER A 70 6.584 -1.485 -9.960 1.00 0.00 C ATOM 1089 C SER A 70 7.300 -0.420 -10.792 1.00 0.00 C ATOM 1090 O SER A 70 8.532 -0.401 -10.847 1.00 0.00 O ATOM 1091 CB SER A 70 6.201 -2.705 -10.812 1.00 0.00 C ATOM 1092 OG SER A 70 5.322 -3.560 -10.107 1.00 0.00 O ATOM 0 H SER A 70 4.575 -1.488 -9.385 1.00 0.00 H new ATOM 0 HA SER A 70 7.277 -1.835 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.728 -2.373 -11.736 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.100 -3.254 -11.093 1.00 0.00 H new ATOM 0 HG SER A 70 5.091 -4.328 -10.670 1.00 0.00 H new ATOM 1098 N ASN A 71 6.495 0.501 -11.343 1.00 0.00 N ATOM 1099 CA ASN A 71 6.888 1.653 -12.159 1.00 0.00 C ATOM 1100 C ASN A 71 8.141 2.319 -11.591 1.00 0.00 C ATOM 1101 O ASN A 71 9.053 2.642 -12.354 1.00 0.00 O ATOM 1102 CB ASN A 71 5.764 2.724 -12.165 1.00 0.00 C ATOM 1103 CG ASN A 71 4.884 2.810 -13.405 1.00 0.00 C ATOM 1104 OD1 ASN A 71 4.289 3.853 -13.678 1.00 0.00 O ATOM 1105 ND2 ASN A 71 4.720 1.738 -14.151 1.00 0.00 N ATOM 0 H ASN A 71 5.484 0.455 -11.220 1.00 0.00 H new ATOM 0 HA ASN A 71 7.076 1.283 -13.167 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.119 2.540 -11.306 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.227 3.699 -12.012 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.098 1.769 -14.959 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.215 0.876 -13.921 1.00 0.00 H new ATOM 1112 N ASN A 72 8.173 2.542 -10.272 1.00 0.00 N ATOM 1113 CA ASN A 72 9.262 3.196 -9.556 1.00 0.00 C ATOM 1114 C ASN A 72 9.588 2.458 -8.251 1.00 0.00 C ATOM 1115 O ASN A 72 9.984 3.079 -7.260 1.00 0.00 O ATOM 1116 CB ASN A 72 8.872 4.661 -9.271 1.00 0.00 C ATOM 1117 CG ASN A 72 8.345 5.393 -10.493 1.00 0.00 C ATOM 1118 OD1 ASN A 72 7.160 5.715 -10.568 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.174 5.587 -11.502 1.00 0.00 N ATOM 0 H ASN A 72 7.411 2.260 -9.656 1.00 0.00 H new ATOM 0 HA ASN A 72 10.158 3.173 -10.176 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.113 4.682 -8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.742 5.192 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.836 6.012 -12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.153 5.312 -11.418 1.00 0.00 H new ATOM 1126 N ALA A 73 9.394 1.138 -8.223 1.00 0.00 N ATOM 1127 CA ALA A 73 9.643 0.326 -7.039 1.00 0.00 C ATOM 1128 C ALA A 73 11.121 0.221 -6.651 1.00 0.00 C ATOM 1129 O ALA A 73 11.407 -0.093 -5.497 1.00 0.00 O ATOM 1130 CB ALA A 73 9.020 -1.053 -7.233 1.00 0.00 C ATOM 0 H ALA A 73 9.059 0.604 -9.025 1.00 0.00 H new ATOM 0 HA ALA A 73 9.171 0.834 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.204 -1.663 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.946 -0.949 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.464 -1.534 -8.105 1.00 0.00 H new ATOM 1136 N ASP A 74 12.052 0.497 -7.566 1.00 0.00 N ATOM 1137 CA ASP A 74 13.492 0.428 -7.316 1.00 0.00 C ATOM 1138 C ASP A 74 13.872 1.471 -6.257 1.00 0.00 C ATOM 1139 O ASP A 74 14.480 1.148 -5.241 1.00 0.00 O ATOM 1140 CB ASP A 74 14.279 0.625 -8.624 1.00 0.00 C ATOM 1141 CG ASP A 74 14.116 -0.528 -9.620 1.00 0.00 C ATOM 1142 OD1 ASP A 74 12.997 -0.721 -10.158 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.116 -1.220 -9.920 1.00 0.00 O ATOM 0 H ASP A 74 11.822 0.780 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 74 13.752 -0.559 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.954 1.551 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.337 0.742 -8.387 1.00 0.00 H new ATOM 1148 N LYS A 75 13.476 2.734 -6.440 1.00 0.00 N ATOM 1149 CA LYS A 75 13.754 3.814 -5.504 1.00 0.00 C ATOM 1150 C LYS A 75 13.072 3.512 -4.167 1.00 0.00 C ATOM 1151 O LYS A 75 13.658 3.729 -3.108 1.00 0.00 O ATOM 1152 CB LYS A 75 13.270 5.130 -6.136 1.00 0.00 C ATOM 1153 CG LYS A 75 14.090 6.363 -5.767 1.00 0.00 C ATOM 1154 CD LYS A 75 14.132 6.641 -4.270 1.00 0.00 C ATOM 1155 CE LYS A 75 14.459 8.114 -3.968 1.00 0.00 C ATOM 1156 NZ LYS A 75 15.653 8.615 -4.684 1.00 0.00 N ATOM 0 H LYS A 75 12.945 3.034 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 75 14.821 3.908 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.277 5.019 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.235 5.299 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.109 6.235 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.675 7.232 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.170 6.384 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.880 6.000 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.600 8.730 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.614 8.231 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.864 9.584 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.465 7.999 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.470 8.614 -5.708 1.00 0.00 H new ATOM 1170 N LEU A 76 11.834 3.001 -4.211 1.00 0.00 N ATOM 1171 CA LEU A 76 11.077 2.652 -3.010 1.00 0.00 C ATOM 1172 C LEU A 76 11.819 1.567 -2.207 1.00 0.00 C ATOM 1173 O LEU A 76 11.679 1.519 -0.985 1.00 0.00 O ATOM 1174 CB LEU A 76 9.652 2.174 -3.365 1.00 0.00 C ATOM 1175 CG LEU A 76 8.711 3.211 -4.004 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.380 2.564 -4.412 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.392 4.379 -3.075 1.00 0.00 C ATOM 0 H LEU A 76 11.333 2.820 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 76 10.988 3.549 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.738 1.328 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.181 1.804 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 76 9.245 3.590 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.732 3.317 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.568 1.770 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.894 2.146 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.725 5.076 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.908 4.005 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.315 4.892 -2.805 1.00 0.00 H new ATOM 1189 N ALA A 77 12.630 0.731 -2.869 1.00 0.00 N ATOM 1190 CA ALA A 77 13.384 -0.337 -2.231 1.00 0.00 C ATOM 1191 C ALA A 77 14.478 0.265 -1.360 1.00 0.00 C ATOM 1192 O ALA A 77 14.580 -0.050 -0.176 1.00 0.00 O ATOM 1193 CB ALA A 77 13.992 -1.283 -3.271 1.00 0.00 C ATOM 0 H ALA A 77 12.777 0.785 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 77 12.704 -0.920 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.550 -2.071 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.196 -1.728 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.664 -0.724 -3.922 1.00 0.00 H new ATOM 1199 N ALA A 78 15.294 1.152 -1.939 1.00 0.00 N ATOM 1200 CA ALA A 78 16.379 1.821 -1.223 1.00 0.00 C ATOM 1201 C ALA A 78 15.842 2.600 -0.014 1.00 0.00 C ATOM 1202 O ALA A 78 16.530 2.789 0.988 1.00 0.00 O ATOM 1203 CB ALA A 78 17.115 2.753 -2.193 1.00 0.00 C ATOM 0 H ALA A 78 15.218 1.425 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 78 17.075 1.073 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.927 3.257 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.523 2.170 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.419 3.496 -2.583 1.00 0.00 H new ATOM 1209 N ILE A 79 14.597 3.061 -0.119 1.00 0.00 N ATOM 1210 CA ILE A 79 13.897 3.808 0.903 1.00 0.00 C ATOM 1211 C ILE A 79 13.476 2.923 2.092 1.00 0.00 C ATOM 1212 O ILE A 79 13.577 3.393 3.224 1.00 0.00 O ATOM 1213 CB ILE A 79 12.701 4.516 0.221 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.187 5.848 -0.385 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.516 4.721 1.169 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.127 6.540 -1.246 1.00 0.00 C ATOM 0 H ILE A 79 14.033 2.914 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 79 14.558 4.553 1.345 1.00 0.00 H new ATOM 0 HB ILE A 79 12.327 3.871 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.486 6.519 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.074 5.662 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.707 5.222 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.168 3.754 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.828 5.334 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.532 7.471 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.845 5.886 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.249 6.756 -0.638 1.00 0.00 H new ATOM 1228 N ALA A 80 13.002 1.686 1.882 1.00 0.00 N ATOM 1229 CA ALA A 80 12.543 0.830 2.975 1.00 0.00 C ATOM 1230 C ALA A 80 13.540 -0.221 3.473 1.00 0.00 C ATOM 1231 O ALA A 80 13.407 -0.665 4.618 1.00 0.00 O ATOM 1232 CB ALA A 80 11.273 0.157 2.489 1.00 0.00 C ATOM 0 H ALA A 80 12.928 1.259 0.959 1.00 0.00 H new ATOM 0 HA ALA A 80 12.393 1.468 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.886 -0.497 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.528 0.916 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.491 -0.432 1.598 1.00 0.00 H new ATOM 1238 N ALA A 81 14.554 -0.584 2.683 1.00 0.00 N ATOM 1239 CA ALA A 81 15.548 -1.588 3.055 1.00 0.00 C ATOM 1240 C ALA A 81 16.180 -1.250 4.421 1.00 0.00 C ATOM 1241 O ALA A 81 16.311 -0.061 4.741 1.00 0.00 O ATOM 1242 CB ALA A 81 16.608 -1.660 1.951 1.00 0.00 C ATOM 0 H ALA A 81 14.707 -0.183 1.758 1.00 0.00 H new ATOM 0 HA ALA A 81 15.070 -2.563 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.358 -2.406 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.134 -1.938 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.087 -0.687 1.842 1.00 0.00 H new ATOM 1248 N PRO A 82 16.637 -2.234 5.223 1.00 0.00 N ATOM 1249 CA PRO A 82 16.642 -3.679 4.971 1.00 0.00 C ATOM 1250 C PRO A 82 15.279 -4.388 5.061 1.00 0.00 C ATOM 1251 O PRO A 82 15.251 -5.620 4.959 1.00 0.00 O ATOM 1252 CB PRO A 82 17.632 -4.246 5.999 1.00 0.00 C ATOM 1253 CG PRO A 82 17.491 -3.300 7.184 1.00 0.00 C ATOM 1254 CD PRO A 82 17.287 -1.953 6.499 1.00 0.00 C ATOM 0 HA PRO A 82 16.924 -3.858 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.384 -5.272 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.651 -4.256 5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.646 -3.566 7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.379 -3.305 7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.671 -1.295 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.240 -1.447 6.346 1.00 0.00 H new ATOM 1262 N ALA A 83 14.168 -3.669 5.272 1.00 0.00 N ATOM 1263 CA ALA A 83 12.853 -4.286 5.351 1.00 0.00 C ATOM 1264 C ALA A 83 12.500 -4.999 4.045 1.00 0.00 C ATOM 1265 O ALA A 83 12.949 -4.637 2.950 1.00 0.00 O ATOM 1266 CB ALA A 83 11.789 -3.236 5.679 1.00 0.00 C ATOM 0 H ALA A 83 14.163 -2.656 5.390 1.00 0.00 H new ATOM 0 HA ALA A 83 12.878 -5.027 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.811 -3.714 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.020 -2.771 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.777 -2.474 4.899 1.00 0.00 H new ATOM 1272 N GLU A 84 11.706 -6.045 4.186 1.00 0.00 N ATOM 1273 CA GLU A 84 11.211 -6.875 3.102 1.00 0.00 C ATOM 1274 C GLU A 84 9.936 -6.215 2.608 1.00 0.00 C ATOM 1275 O GLU A 84 8.953 -6.109 3.344 1.00 0.00 O ATOM 1276 CB GLU A 84 11.019 -8.314 3.589 1.00 0.00 C ATOM 1277 CG GLU A 84 12.341 -9.069 3.404 1.00 0.00 C ATOM 1278 CD GLU A 84 12.590 -9.501 1.956 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.286 -10.526 1.758 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.968 -8.975 1.012 1.00 0.00 O ATOM 0 H GLU A 84 11.374 -6.353 5.100 1.00 0.00 H new ATOM 0 HA GLU A 84 11.913 -6.950 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.721 -8.323 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.222 -8.801 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.164 -8.435 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.341 -9.951 4.045 1.00 0.00 H new ATOM 1287 N ILE A 85 9.998 -5.697 1.384 1.00 0.00 N ATOM 1288 CA ILE A 85 8.908 -4.991 0.741 1.00 0.00 C ATOM 1289 C ILE A 85 8.235 -5.863 -0.303 1.00 0.00 C ATOM 1290 O ILE A 85 8.892 -6.555 -1.088 1.00 0.00 O ATOM 1291 CB ILE A 85 9.468 -3.672 0.157 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.273 -2.514 1.141 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.829 -3.248 -1.176 1.00 0.00 C ATOM 1294 CD1 ILE A 85 9.681 -2.789 2.597 1.00 0.00 C ATOM 0 H ILE A 85 10.833 -5.762 0.802 1.00 0.00 H new ATOM 0 HA ILE A 85 8.129 -4.748 1.463 1.00 0.00 H new ATOM 0 HB ILE A 85 10.523 -3.881 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.843 -1.658 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.222 -2.226 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.279 -2.315 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.997 -4.024 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.757 -3.105 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.499 -1.900 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.094 -3.620 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.740 -3.043 2.636 1.00 0.00 H new ATOM 1306 N PHE A 86 6.909 -5.732 -0.358 1.00 0.00 N ATOM 1307 CA PHE A 86 6.083 -6.449 -1.302 1.00 0.00 C ATOM 1308 C PHE A 86 5.181 -5.495 -2.074 1.00 0.00 C ATOM 1309 O PHE A 86 5.047 -4.320 -1.721 1.00 0.00 O ATOM 1310 CB PHE A 86 5.335 -7.608 -0.629 1.00 0.00 C ATOM 1311 CG PHE A 86 6.177 -8.470 0.292 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.373 -8.116 1.640 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.828 -9.599 -0.228 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.245 -8.861 2.448 1.00 0.00 C ATOM 1315 CE2 PHE A 86 7.719 -10.334 0.571 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.922 -9.969 1.913 1.00 0.00 C ATOM 0 H PHE A 86 6.383 -5.116 0.262 1.00 0.00 H new ATOM 0 HA PHE A 86 6.729 -6.916 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.502 -7.199 -0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.907 -8.243 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.850 -7.267 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.643 -9.904 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.396 -8.583 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.248 -11.179 0.155 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.598 -10.540 2.532 1.00 0.00 H new ATOM 1326 N LEU A 87 4.551 -6.012 -3.126 1.00 0.00 N ATOM 1327 CA LEU A 87 3.668 -5.290 -4.022 1.00 0.00 C ATOM 1328 C LEU A 87 2.291 -5.929 -4.017 1.00 0.00 C ATOM 1329 O LEU A 87 2.146 -7.065 -4.469 1.00 0.00 O ATOM 1330 CB LEU A 87 4.263 -5.295 -5.445 1.00 0.00 C ATOM 1331 CG LEU A 87 5.613 -4.563 -5.568 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.113 -4.643 -7.009 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.482 -3.091 -5.163 1.00 0.00 C ATOM 0 H LEU A 87 4.651 -6.994 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 87 3.570 -4.258 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.392 -6.328 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.549 -4.833 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 87 6.323 -5.048 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.068 -4.124 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.242 -5.688 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.387 -4.174 -7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.450 -2.599 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.758 -2.598 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.144 -3.027 -4.129 1.00 0.00 H new ATOM 1345 N LEU A 88 1.297 -5.218 -3.473 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.077 -5.705 -3.434 1.00 0.00 C ATOM 1347 C LEU A 88 -0.677 -5.497 -4.830 1.00 0.00 C ATOM 1348 O LEU A 88 -1.265 -4.447 -5.111 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.906 -5.003 -2.337 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.027 -5.899 -1.771 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.781 -5.135 -0.677 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.019 -6.384 -2.836 1.00 0.00 C ATOM 0 H LEU A 88 1.425 -4.298 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.093 -6.764 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.244 -4.700 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.346 -4.093 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.546 -6.789 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.574 -5.765 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.090 -4.867 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.216 -4.229 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.780 -7.009 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.495 -5.525 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.488 -6.964 -3.591 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.503 -6.486 -5.706 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.000 -6.512 -7.082 1.00 0.00 C ATOM 1366 C GLU A 89 -0.752 -5.173 -7.810 1.00 0.00 C ATOM 1367 O GLU A 89 0.274 -4.519 -7.608 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.489 -6.913 -7.041 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.762 -8.283 -6.413 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.620 -9.416 -7.422 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -3.657 -9.959 -7.862 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -1.485 -9.813 -7.769 1.00 0.00 O ATOM 0 H GLU A 89 0.013 -7.332 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.451 -7.250 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.041 -6.156 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.881 -6.909 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.071 -8.446 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.768 -8.295 -5.994 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.695 -4.730 -8.645 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.614 -3.489 -9.418 1.00 0.00 C ATOM 1381 C ASP A 90 -1.967 -2.240 -8.606 1.00 0.00 C ATOM 1382 O ASP A 90 -2.249 -1.185 -9.181 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.450 -3.601 -10.700 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.016 -4.737 -11.624 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -0.806 -5.025 -11.723 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.907 -5.325 -12.281 1.00 0.00 O ATOM 0 H ASP A 90 -2.563 -5.241 -8.807 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.569 -3.357 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.496 -3.746 -10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.389 -2.659 -11.245 1.00 0.00 H new ATOM 1391 N GLY A 91 -1.983 -2.331 -7.275 1.00 0.00 N ATOM 1392 CA GLY A 91 -2.285 -1.221 -6.392 1.00 0.00 C ATOM 1393 C GLY A 91 -3.590 -1.469 -5.659 1.00 0.00 C ATOM 1394 O GLY A 91 -3.582 -2.113 -4.613 1.00 0.00 O ATOM 0 H GLY A 91 -1.781 -3.199 -6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.476 -1.089 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.354 -0.298 -6.968 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.704 -0.986 -6.208 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.044 -1.136 -5.602 1.00 0.00 C ATOM 1400 C ILE A 92 -6.825 -2.290 -6.219 1.00 0.00 C ATOM 1401 O ILE A 92 -7.785 -2.791 -5.631 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.835 0.203 -5.681 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.066 0.767 -4.270 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.181 0.169 -6.442 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.037 -0.045 -3.397 1.00 0.00 C ATOM 0 H ILE A 92 -4.712 -0.475 -7.091 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.905 -1.384 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.192 0.849 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.106 0.829 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.446 1.785 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.633 1.161 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.008 -0.134 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.852 -0.544 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.135 0.432 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.013 -0.086 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.652 -1.057 -3.269 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.414 -2.711 -7.413 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.058 -3.782 -8.158 1.00 0.00 C ATOM 1419 C ASP A 93 -6.969 -5.143 -7.462 1.00 0.00 C ATOM 1420 O ASP A 93 -7.740 -6.047 -7.764 1.00 0.00 O ATOM 1421 CB ASP A 93 -6.443 -3.823 -9.552 1.00 0.00 C ATOM 1422 CG ASP A 93 -7.267 -4.686 -10.500 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.365 -4.232 -10.892 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -6.762 -5.727 -10.977 1.00 0.00 O ATOM 0 H ASP A 93 -5.610 -2.309 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.125 -3.570 -8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.371 -2.811 -9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.427 -4.214 -9.492 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.054 -5.284 -6.500 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.863 -6.515 -5.766 1.00 0.00 C ATOM 1431 C GLY A 94 -6.962 -6.752 -4.744 1.00 0.00 C ATOM 1432 O GLY A 94 -7.677 -7.739 -4.836 1.00 0.00 O ATOM 0 H GLY A 94 -5.425 -4.534 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.833 -7.351 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.898 -6.488 -5.259 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.090 -5.869 -3.753 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.063 -5.956 -2.671 1.00 0.00 C ATOM 1438 C TRP A 95 -9.451 -6.359 -3.196 1.00 0.00 C ATOM 1439 O TRP A 95 -10.030 -7.357 -2.761 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.101 -4.626 -1.934 1.00 0.00 C ATOM 1441 CG TRP A 95 -9.049 -4.581 -0.780 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.986 -3.630 -0.612 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -9.150 -5.461 0.385 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.638 -3.847 0.580 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -10.113 -4.910 1.277 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.478 -6.626 0.817 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -10.369 -5.456 2.547 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.692 -7.156 2.101 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.627 -6.571 2.967 1.00 0.00 C ATOM 0 H TRP A 95 -6.495 -5.044 -3.682 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.760 -6.738 -1.974 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.098 -4.397 -1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.372 -3.842 -2.641 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.193 -2.825 -1.302 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.422 -3.283 0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.787 -7.118 0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -11.124 -5.025 3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -8.132 -8.021 2.423 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.776 -6.978 3.956 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.954 -5.621 -4.193 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.263 -5.874 -4.791 1.00 0.00 C ATOM 1462 C LYS A 96 -11.425 -7.268 -5.397 1.00 0.00 C ATOM 1463 O LYS A 96 -12.512 -7.830 -5.294 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.610 -4.818 -5.854 1.00 0.00 C ATOM 1465 CG LYS A 96 -10.562 -4.716 -6.979 1.00 0.00 C ATOM 1466 CD LYS A 96 -10.985 -3.767 -8.096 1.00 0.00 C ATOM 1467 CE LYS A 96 -12.088 -4.392 -8.943 1.00 0.00 C ATOM 1468 NZ LYS A 96 -12.594 -3.443 -9.946 1.00 0.00 N ATOM 0 H LYS A 96 -9.460 -4.830 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.959 -5.810 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.579 -5.058 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.710 -3.846 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.616 -4.376 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.387 -5.707 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.335 -2.827 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.126 -3.531 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.706 -5.283 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.906 -4.714 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.343 -3.897 -10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.980 -2.604 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.817 -3.155 -10.575 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.379 -7.841 -6.003 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.392 -9.156 -6.647 1.00 0.00 C ATOM 1484 C LYS A 97 -11.012 -10.207 -5.733 1.00 0.00 C ATOM 1485 O LYS A 97 -11.949 -10.907 -6.126 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.945 -9.519 -7.021 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.779 -10.744 -7.927 1.00 0.00 C ATOM 1488 CD LYS A 97 -7.315 -11.206 -7.853 1.00 0.00 C ATOM 1489 CE LYS A 97 -7.026 -12.251 -8.927 1.00 0.00 C ATOM 1490 NZ LYS A 97 -5.701 -12.874 -8.756 1.00 0.00 N ATOM 0 H LYS A 97 -9.469 -7.384 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.006 -9.125 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.491 -8.660 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.384 -9.691 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.446 -11.545 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.047 -10.496 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.651 -10.351 -7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.109 -11.623 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.795 -13.023 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.082 -11.784 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.548 -13.577 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.964 -12.143 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.655 -13.343 -7.829 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.501 -10.308 -4.506 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.962 -11.263 -3.510 1.00 0.00 C ATOM 1506 C ALA A 98 -12.389 -10.974 -2.995 1.00 0.00 C ATOM 1507 O ALA A 98 -12.913 -11.761 -2.209 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.902 -11.369 -2.407 1.00 0.00 C ATOM 0 H ALA A 98 -9.740 -9.715 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.068 -12.243 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.233 -12.082 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.960 -11.709 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.758 -10.392 -1.946 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.047 -9.893 -3.430 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.404 -9.535 -3.036 1.00 0.00 C ATOM 1516 C GLY A 99 -14.466 -8.836 -1.685 1.00 0.00 C ATOM 1517 O GLY A 99 -15.309 -9.189 -0.853 1.00 0.00 O ATOM 0 H GLY A 99 -12.634 -9.228 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.837 -8.885 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.016 -10.436 -3.001 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.591 -7.857 -1.432 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.559 -7.124 -0.172 1.00 0.00 C ATOM 1523 C LEU A 100 -13.734 -5.616 -0.408 1.00 0.00 C ATOM 1524 O LEU A 100 -13.146 -5.073 -1.351 1.00 0.00 O ATOM 1525 CB LEU A 100 -12.237 -7.390 0.545 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.960 -8.883 0.810 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.678 -9.328 0.122 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -11.887 -9.180 2.301 1.00 0.00 C ATOM 0 H LEU A 100 -12.884 -7.553 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.386 -7.469 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.422 -6.980 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.236 -6.856 1.495 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.794 -9.447 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.505 -10.385 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.770 -9.174 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.840 -8.744 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.691 -10.242 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.084 -8.595 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.834 -8.916 2.771 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.519 -4.921 0.436 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.751 -3.492 0.326 1.00 0.00 C ATOM 1542 C PRO A 101 -13.623 -2.705 0.992 1.00 0.00 C ATOM 1543 O PRO A 101 -12.973 -3.157 1.937 1.00 0.00 O ATOM 1544 CB PRO A 101 -16.067 -3.253 1.071 1.00 0.00 C ATOM 1545 CG PRO A 101 -16.012 -4.279 2.202 1.00 0.00 C ATOM 1546 CD PRO A 101 -15.264 -5.452 1.569 1.00 0.00 C ATOM 0 HA PRO A 101 -14.791 -3.166 -0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.135 -2.234 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.931 -3.410 0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.487 -3.890 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.009 -4.568 2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.591 -5.914 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.962 -6.224 1.244 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.331 -1.530 0.455 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.340 -0.577 0.925 1.00 0.00 C ATOM 1556 C VAL A 102 -12.982 0.175 2.102 1.00 0.00 C ATOM 1557 O VAL A 102 -14.193 0.063 2.298 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.054 0.396 -0.238 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.034 -0.195 -1.210 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.331 0.736 -1.031 1.00 0.00 C ATOM 0 H VAL A 102 -13.815 -1.195 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.410 -1.049 1.242 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.659 1.305 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.851 0.512 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.101 -0.392 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.422 -1.127 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.085 1.423 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.755 -0.178 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.058 1.203 -0.367 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.222 0.984 2.849 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.781 1.744 3.970 1.00 0.00 C ATOM 1572 C ALA A 103 -13.500 2.991 3.438 1.00 0.00 C ATOM 1573 O ALA A 103 -13.084 4.120 3.693 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.701 2.121 4.992 1.00 0.00 C ATOM 0 H ALA A 103 -11.224 1.128 2.698 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.502 1.114 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.153 2.684 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.241 1.215 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.940 2.733 4.508 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.550 2.796 2.643 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.330 3.887 2.082 1.00 0.00 C ATOM 1582 C VAL A 104 -16.255 4.375 3.200 1.00 0.00 C ATOM 1583 O VAL A 104 -16.590 3.607 4.104 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.230 3.399 0.923 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.453 3.490 -0.381 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.819 1.985 1.080 1.00 0.00 C ATOM 0 H VAL A 104 -14.882 1.871 2.371 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.659 4.658 1.703 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.096 4.061 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.081 3.147 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.157 4.524 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.563 2.864 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.432 1.748 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.009 1.260 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.433 1.945 1.979 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.705 5.627 3.140 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.620 6.146 4.158 1.00 0.00 C ATOM 1598 C ASN A 105 -19.045 5.684 3.838 1.00 0.00 C ATOM 1599 O ASN A 105 -19.927 5.763 4.689 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.554 7.677 4.250 1.00 0.00 C ATOM 1601 CG ASN A 105 -16.236 8.193 4.819 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -15.360 7.438 5.239 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -16.037 9.496 4.803 1.00 0.00 N ATOM 0 H ASN A 105 -16.456 6.294 2.409 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.318 5.754 5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.703 8.100 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.374 8.032 4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.155 9.881 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.765 10.119 4.454 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.288 5.234 2.601 1.00 0.00 N ATOM 1611 CA LYS A 106 -20.577 4.744 2.136 1.00 0.00 C ATOM 1612 C LYS A 106 -20.721 3.259 2.496 1.00 0.00 C ATOM 1613 O LYS A 106 -19.729 2.589 2.792 1.00 0.00 O ATOM 1614 CB LYS A 106 -20.672 4.972 0.613 1.00 0.00 C ATOM 1615 CG LYS A 106 -22.123 5.127 0.132 1.00 0.00 C ATOM 1616 CD LYS A 106 -22.692 6.518 0.443 1.00 0.00 C ATOM 1617 CE LYS A 106 -24.210 6.477 0.634 1.00 0.00 C ATOM 1618 NZ LYS A 106 -24.941 5.910 -0.512 1.00 0.00 N ATOM 0 H LYS A 106 -18.567 5.203 1.880 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.392 5.283 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.107 5.865 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -20.208 4.134 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -22.169 4.950 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -22.744 4.368 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -22.222 6.911 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -22.445 7.202 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -24.439 5.891 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -24.571 7.489 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -25.964 6.008 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -24.675 6.418 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -24.701 4.903 -0.613 1.00 0.00 H new ATOM 1632 N SER A 107 -21.939 2.740 2.395 1.00 0.00 N ATOM 1633 CA SER A 107 -22.334 1.367 2.664 1.00 0.00 C ATOM 1634 C SER A 107 -23.473 0.990 1.714 1.00 0.00 C ATOM 1635 O SER A 107 -24.041 1.868 1.054 1.00 0.00 O ATOM 1636 CB SER A 107 -22.868 1.292 4.093 1.00 0.00 C ATOM 1637 OG SER A 107 -21.861 1.521 5.056 1.00 0.00 O ATOM 0 H SER A 107 -22.732 3.311 2.102 1.00 0.00 H new ATOM 0 HA SER A 107 -21.485 0.697 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.663 2.027 4.220 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.312 0.311 4.261 1.00 0.00 H new ATOM 0 HG SER A 107 -22.249 1.465 5.954 1.00 0.00 H new ATOM 1643 N GLN A 108 -23.812 -0.297 1.614 1.00 0.00 N ATOM 1644 CA GLN A 108 -24.895 -0.795 0.778 1.00 0.00 C ATOM 1645 C GLN A 108 -25.422 -2.076 1.406 1.00 0.00 C ATOM 1646 O GLN A 108 -24.615 -2.865 1.948 1.00 0.00 O ATOM 1647 CB GLN A 108 -24.484 -0.990 -0.694 1.00 0.00 C ATOM 1648 CG GLN A 108 -23.321 -1.973 -0.909 1.00 0.00 C ATOM 1649 CD GLN A 108 -23.102 -2.354 -2.374 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -21.979 -2.351 -2.873 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -24.137 -2.784 -3.072 1.00 0.00 N ATOM 0 H GLN A 108 -23.327 -1.035 2.125 1.00 0.00 H new ATOM 0 HA GLN A 108 -25.687 -0.047 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -25.349 -1.343 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -24.206 -0.022 -1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -22.405 -1.530 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -23.510 -2.878 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -25.068 -2.785 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -24.006 -3.115 -4.028 1.00 0.00 H new TER 1660 GLN A 108