USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=15 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+ -139:sc= 0.0946 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 72:sc= 0.128 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.005 USER MOD Single : A 8 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-1.2) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0214) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.79) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0567 USER MOD Single : A 47 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.085) USER MOD Single : A 58 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.35) USER MOD Single : A 62 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.4) USER MOD Single : A 63 CYS SG : rot 162:sc= 0.439 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 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00746 X(o=-0.0075,f=-0.19) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0376) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.154) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 108 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.528 -8.369 -5.541 1.00 0.00 N ATOM 2 CA ALA A 1 13.186 -6.955 -5.720 1.00 0.00 C ATOM 3 C ALA A 1 11.677 -6.786 -5.743 1.00 0.00 C ATOM 4 O ALA A 1 10.964 -7.629 -5.200 1.00 0.00 O ATOM 5 CB ALA A 1 13.930 -6.367 -6.928 1.00 0.00 C ATOM 0 H1 ALA A 1 14.328 -8.452 -4.881 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.707 -8.879 -5.156 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.792 -8.781 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 1 13.531 -6.366 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.663 -5.317 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.005 -6.452 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.651 -6.914 -7.829 1.00 0.00 H new ATOM 11 N LEU A 2 11.183 -5.672 -6.287 1.00 0.00 N ATOM 12 CA LEU A 2 9.763 -5.387 -6.361 1.00 0.00 C ATOM 13 C LEU A 2 9.063 -6.427 -7.233 1.00 0.00 C ATOM 14 O LEU A 2 9.340 -6.531 -8.430 1.00 0.00 O ATOM 15 CB LEU A 2 9.550 -3.957 -6.891 1.00 0.00 C ATOM 16 CG LEU A 2 9.532 -2.844 -5.826 1.00 0.00 C ATOM 17 CD1 LEU A 2 9.067 -1.516 -6.427 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.588 -3.090 -4.647 1.00 0.00 C ATOM 0 H LEU A 2 11.769 -4.941 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 2 9.323 -5.446 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.339 -3.734 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.606 -3.928 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 2 10.562 -2.827 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.064 -0.748 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.745 -1.222 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.060 -1.631 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.647 -2.252 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.566 -3.187 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.878 -4.007 -4.134 1.00 0.00 H new ATOM 30 N THR A 3 8.164 -7.195 -6.628 1.00 0.00 N ATOM 31 CA THR A 3 7.370 -8.250 -7.264 1.00 0.00 C ATOM 32 C THR A 3 5.875 -7.926 -7.067 1.00 0.00 C ATOM 33 O THR A 3 5.504 -7.359 -6.043 1.00 0.00 O ATOM 34 CB THR A 3 7.804 -9.590 -6.638 1.00 0.00 C ATOM 35 OG1 THR A 3 9.210 -9.749 -6.743 1.00 0.00 O ATOM 36 CG2 THR A 3 7.174 -10.831 -7.265 1.00 0.00 C ATOM 0 H THR A 3 7.956 -7.098 -5.634 1.00 0.00 H new ATOM 0 HA THR A 3 7.532 -8.317 -8.340 1.00 0.00 H new ATOM 0 HB THR A 3 7.460 -9.525 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.656 -9.136 -6.121 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.542 -11.722 -6.756 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.090 -10.778 -7.166 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.440 -10.880 -8.321 1.00 0.00 H new ATOM 44 N THR A 4 5.000 -8.278 -8.007 1.00 0.00 N ATOM 45 CA THR A 4 3.561 -8.002 -7.920 1.00 0.00 C ATOM 46 C THR A 4 2.836 -9.330 -7.691 1.00 0.00 C ATOM 47 O THR A 4 2.898 -10.197 -8.565 1.00 0.00 O ATOM 48 CB THR A 4 3.105 -7.272 -9.203 1.00 0.00 C ATOM 49 OG1 THR A 4 3.920 -6.133 -9.427 1.00 0.00 O ATOM 50 CG2 THR A 4 1.654 -6.787 -9.120 1.00 0.00 C ATOM 0 H THR A 4 5.269 -8.768 -8.860 1.00 0.00 H new ATOM 0 HA THR A 4 3.322 -7.344 -7.085 1.00 0.00 H new ATOM 0 HB THR A 4 3.191 -7.995 -10.014 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.626 -5.676 -10.243 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.386 -6.281 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.993 -7.640 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.549 -6.094 -8.285 1.00 0.00 H new ATOM 58 N ILE A 5 2.226 -9.535 -6.522 1.00 0.00 N ATOM 59 CA ILE A 5 1.493 -10.765 -6.188 1.00 0.00 C ATOM 60 C ILE A 5 0.015 -10.618 -6.573 1.00 0.00 C ATOM 61 O ILE A 5 -0.397 -9.540 -7.018 1.00 0.00 O ATOM 62 CB ILE A 5 1.701 -11.163 -4.701 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.877 -10.391 -3.643 1.00 0.00 C ATOM 64 CG2 ILE A 5 3.193 -11.139 -4.330 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.914 -8.863 -3.724 1.00 0.00 C ATOM 0 H ILE A 5 2.225 -8.846 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 5 1.897 -11.591 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 5 1.301 -12.176 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.162 -10.711 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.228 -10.688 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.312 -11.421 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.736 -11.843 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.590 -10.135 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.298 -8.442 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.941 -8.517 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.529 -8.541 -4.691 1.00 0.00 H new ATOM 77 N SER A 6 -0.788 -11.679 -6.438 1.00 0.00 N ATOM 78 CA SER A 6 -2.216 -11.627 -6.752 1.00 0.00 C ATOM 79 C SER A 6 -2.870 -10.588 -5.826 1.00 0.00 C ATOM 80 O SER A 6 -2.420 -10.433 -4.690 1.00 0.00 O ATOM 81 CB SER A 6 -2.846 -13.012 -6.567 1.00 0.00 C ATOM 82 OG SER A 6 -2.005 -14.041 -7.061 1.00 0.00 O ATOM 0 H SER A 6 -0.468 -12.590 -6.110 1.00 0.00 H new ATOM 0 HA SER A 6 -2.371 -11.335 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.046 -13.182 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.806 -13.047 -7.083 1.00 0.00 H new ATOM 0 HG SER A 6 -2.437 -14.910 -6.925 1.00 0.00 H new ATOM 88 N PRO A 7 -3.945 -9.894 -6.235 1.00 0.00 N ATOM 89 CA PRO A 7 -4.560 -8.883 -5.388 1.00 0.00 C ATOM 90 C PRO A 7 -5.006 -9.432 -4.033 1.00 0.00 C ATOM 91 O PRO A 7 -4.644 -8.867 -3.002 1.00 0.00 O ATOM 92 CB PRO A 7 -5.694 -8.262 -6.206 1.00 0.00 C ATOM 93 CG PRO A 7 -5.963 -9.283 -7.304 1.00 0.00 C ATOM 94 CD PRO A 7 -4.611 -9.961 -7.522 1.00 0.00 C ATOM 0 HA PRO A 7 -3.836 -8.115 -5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.580 -8.092 -5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.404 -7.297 -6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.725 -10.001 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.320 -8.803 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.735 -10.993 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.033 -9.450 -8.292 1.00 0.00 H new ATOM 102 N HIS A 8 -5.747 -10.538 -4.013 1.00 0.00 N ATOM 103 CA HIS A 8 -6.222 -11.114 -2.763 1.00 0.00 C ATOM 104 C HIS A 8 -5.095 -11.694 -1.894 1.00 0.00 C ATOM 105 O HIS A 8 -5.265 -11.778 -0.680 1.00 0.00 O ATOM 106 CB HIS A 8 -7.311 -12.151 -3.053 1.00 0.00 C ATOM 107 CG HIS A 8 -8.536 -11.915 -2.217 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.688 -11.294 -2.638 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.665 -12.188 -0.884 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.507 -11.213 -1.576 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.935 -11.755 -0.484 1.00 0.00 N ATOM 0 H HIS A 8 -6.030 -11.050 -4.848 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.650 -10.305 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.578 -12.114 -4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.923 -13.151 -2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.922 -12.653 -0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.493 -10.772 -1.596 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.344 -11.834 0.447 1.00 0.00 H new ATOM 119 N ASP A 9 -3.954 -12.077 -2.483 1.00 0.00 N ATOM 120 CA ASP A 9 -2.825 -12.632 -1.723 1.00 0.00 C ATOM 121 C ASP A 9 -2.276 -11.571 -0.774 1.00 0.00 C ATOM 122 O ASP A 9 -1.846 -11.907 0.324 1.00 0.00 O ATOM 123 CB ASP A 9 -1.698 -13.170 -2.628 1.00 0.00 C ATOM 124 CG ASP A 9 -1.464 -14.668 -2.420 1.00 0.00 C ATOM 125 OD1 ASP A 9 -0.408 -15.070 -1.875 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.344 -15.450 -2.860 1.00 0.00 O ATOM 0 H ASP A 9 -3.788 -12.012 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.204 -13.483 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.951 -12.984 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.776 -12.627 -2.421 1.00 0.00 H new ATOM 131 N ALA A 10 -2.335 -10.291 -1.165 1.00 0.00 N ATOM 132 CA ALA A 10 -1.865 -9.169 -0.360 1.00 0.00 C ATOM 133 C ALA A 10 -2.471 -9.220 1.040 1.00 0.00 C ATOM 134 O ALA A 10 -1.764 -9.057 2.032 1.00 0.00 O ATOM 135 CB ALA A 10 -2.288 -7.856 -1.023 1.00 0.00 C ATOM 0 H ALA A 10 -2.718 -10.007 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.779 -9.229 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.938 -7.016 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.853 -7.796 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.375 -7.820 -1.098 1.00 0.00 H new ATOM 141 N GLN A 11 -3.793 -9.405 1.090 1.00 0.00 N ATOM 142 CA GLN A 11 -4.593 -9.482 2.301 1.00 0.00 C ATOM 143 C GLN A 11 -4.033 -10.556 3.218 1.00 0.00 C ATOM 144 O GLN A 11 -3.836 -10.311 4.400 1.00 0.00 O ATOM 145 CB GLN A 11 -6.038 -9.793 1.914 1.00 0.00 C ATOM 146 CG GLN A 11 -7.032 -8.857 2.582 1.00 0.00 C ATOM 147 CD GLN A 11 -7.242 -8.988 4.074 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.853 -8.141 4.870 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.001 -9.993 4.419 1.00 0.00 N ATOM 0 H GLN A 11 -4.354 -9.509 0.245 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.563 -8.533 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.145 -9.720 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.271 -10.822 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.715 -7.834 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.998 -8.994 2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.298 -10.672 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.297 -10.099 5.389 1.00 0.00 H new ATOM 158 N GLU A 12 -3.771 -11.733 2.657 1.00 0.00 N ATOM 159 CA GLU A 12 -3.220 -12.870 3.363 1.00 0.00 C ATOM 160 C GLU A 12 -1.848 -12.511 3.920 1.00 0.00 C ATOM 161 O GLU A 12 -1.524 -12.922 5.026 1.00 0.00 O ATOM 162 CB GLU A 12 -3.136 -14.043 2.383 1.00 0.00 C ATOM 163 CG GLU A 12 -3.111 -15.382 3.109 1.00 0.00 C ATOM 164 CD GLU A 12 -2.712 -16.479 2.141 1.00 0.00 C ATOM 165 OE1 GLU A 12 -1.518 -16.852 2.127 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.588 -16.997 1.414 1.00 0.00 O ATOM 0 H GLU A 12 -3.944 -11.920 1.669 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.854 -13.151 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.989 -14.012 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.239 -13.943 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.407 -15.343 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.092 -15.596 3.532 1.00 0.00 H new ATOM 173 N LEU A 13 -1.026 -11.749 3.192 1.00 0.00 N ATOM 174 CA LEU A 13 0.292 -11.392 3.694 1.00 0.00 C ATOM 175 C LEU A 13 0.108 -10.516 4.921 1.00 0.00 C ATOM 176 O LEU A 13 0.715 -10.770 5.958 1.00 0.00 O ATOM 177 CB LEU A 13 1.156 -10.699 2.623 1.00 0.00 C ATOM 178 CG LEU A 13 1.445 -11.526 1.355 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.484 -10.812 0.480 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.926 -12.940 1.687 1.00 0.00 C ATOM 0 H LEU A 13 -1.250 -11.376 2.269 1.00 0.00 H new ATOM 0 HA LEU A 13 0.833 -12.299 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.660 -9.775 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.107 -10.419 3.076 1.00 0.00 H new ATOM 0 HG LEU A 13 0.507 -11.617 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.679 -11.407 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.103 -9.834 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.409 -10.688 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.117 -13.486 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.844 -12.884 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.160 -13.459 2.263 1.00 0.00 H new ATOM 192 N ILE A 14 -0.736 -9.490 4.817 1.00 0.00 N ATOM 193 CA ILE A 14 -1.008 -8.560 5.904 1.00 0.00 C ATOM 194 C ILE A 14 -1.601 -9.314 7.097 1.00 0.00 C ATOM 195 O ILE A 14 -1.201 -9.057 8.232 1.00 0.00 O ATOM 196 CB ILE A 14 -1.879 -7.402 5.385 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.173 -6.609 4.258 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.191 -6.404 6.499 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.189 -6.136 3.216 1.00 0.00 C ATOM 0 H ILE A 14 -1.255 -9.282 3.964 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.087 -8.105 6.270 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.792 -7.863 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.651 -5.751 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.420 -7.236 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.808 -5.597 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.728 -6.910 7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.261 -5.991 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.674 -5.581 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.691 -6.999 2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.926 -5.491 3.694 1.00 0.00 H new ATOM 211 N ALA A 15 -2.501 -10.270 6.858 1.00 0.00 N ATOM 212 CA ALA A 15 -3.123 -11.069 7.902 1.00 0.00 C ATOM 213 C ALA A 15 -2.057 -11.867 8.653 1.00 0.00 C ATOM 214 O ALA A 15 -2.073 -11.894 9.883 1.00 0.00 O ATOM 215 CB ALA A 15 -4.168 -12.006 7.295 1.00 0.00 C ATOM 0 H ALA A 15 -2.819 -10.510 5.919 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.623 -10.406 8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.627 -12.599 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.935 -11.418 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.688 -12.669 6.576 1.00 0.00 H new ATOM 221 N ARG A 16 -1.120 -12.496 7.929 1.00 0.00 N ATOM 222 CA ARG A 16 -0.032 -13.280 8.522 1.00 0.00 C ATOM 223 C ARG A 16 0.877 -12.386 9.368 1.00 0.00 C ATOM 224 O ARG A 16 1.470 -12.869 10.337 1.00 0.00 O ATOM 225 CB ARG A 16 0.790 -13.959 7.419 1.00 0.00 C ATOM 226 CG ARG A 16 0.013 -15.016 6.617 1.00 0.00 C ATOM 227 CD ARG A 16 0.742 -15.244 5.285 1.00 0.00 C ATOM 228 NE ARG A 16 0.154 -16.328 4.491 1.00 0.00 N ATOM 229 CZ ARG A 16 0.280 -17.630 4.746 1.00 0.00 C ATOM 230 NH1 ARG A 16 1.072 -18.076 5.714 1.00 0.00 N ATOM 231 NH2 ARG A 16 -0.409 -18.486 4.011 1.00 0.00 N ATOM 0 H ARG A 16 -1.097 -12.474 6.909 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.470 -14.043 9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.158 -13.196 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.664 -14.430 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.051 -15.948 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.009 -14.681 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.722 -14.322 4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.789 -15.473 5.484 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.398 -16.063 3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.602 -17.417 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.150 -19.078 5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.020 -18.145 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.330 -19.488 4.186 1.00 0.00 H new ATOM 245 N GLY A 17 1.003 -11.106 9.003 1.00 0.00 N ATOM 246 CA GLY A 17 1.814 -10.136 9.718 1.00 0.00 C ATOM 247 C GLY A 17 2.395 -9.013 8.860 1.00 0.00 C ATOM 248 O GLY A 17 3.033 -8.130 9.424 1.00 0.00 O ATOM 0 H GLY A 17 0.533 -10.716 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.208 -9.692 10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.636 -10.662 10.204 1.00 0.00 H new ATOM 252 N ALA A 18 2.224 -9.006 7.533 1.00 0.00 N ATOM 253 CA ALA A 18 2.762 -7.960 6.658 1.00 0.00 C ATOM 254 C ALA A 18 2.090 -6.589 6.893 1.00 0.00 C ATOM 255 O ALA A 18 1.199 -6.445 7.732 1.00 0.00 O ATOM 256 CB ALA A 18 2.677 -8.400 5.183 1.00 0.00 C ATOM 0 H ALA A 18 1.706 -9.729 7.034 1.00 0.00 H new ATOM 0 HA ALA A 18 3.813 -7.823 6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.080 -7.614 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.255 -9.313 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.636 -8.585 4.918 1.00 0.00 H new ATOM 262 N LYS A 19 2.508 -5.565 6.143 1.00 0.00 N ATOM 263 CA LYS A 19 2.005 -4.182 6.206 1.00 0.00 C ATOM 264 C LYS A 19 1.522 -3.733 4.827 1.00 0.00 C ATOM 265 O LYS A 19 1.932 -4.304 3.818 1.00 0.00 O ATOM 266 CB LYS A 19 3.138 -3.239 6.669 1.00 0.00 C ATOM 267 CG LYS A 19 3.194 -2.888 8.160 1.00 0.00 C ATOM 268 CD LYS A 19 2.015 -1.995 8.577 1.00 0.00 C ATOM 269 CE LYS A 19 1.939 -1.813 10.095 1.00 0.00 C ATOM 270 NZ LYS A 19 1.470 -3.034 10.778 1.00 0.00 N ATOM 0 H LYS A 19 3.240 -5.679 5.442 1.00 0.00 H new ATOM 0 HA LYS A 19 1.175 -4.144 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.089 -3.694 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.054 -2.309 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.184 -3.804 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.132 -2.378 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.113 -1.020 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.084 -2.433 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.923 -1.540 10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.267 -0.987 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.320 -2.832 11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.575 -3.348 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.184 -3.784 10.678 1.00 0.00 H new ATOM 284 N LEU A 20 0.721 -2.666 4.770 1.00 0.00 N ATOM 285 CA LEU A 20 0.178 -2.089 3.541 1.00 0.00 C ATOM 286 C LEU A 20 0.499 -0.605 3.564 1.00 0.00 C ATOM 287 O LEU A 20 0.062 0.073 4.497 1.00 0.00 O ATOM 288 CB LEU A 20 -1.343 -2.292 3.498 1.00 0.00 C ATOM 289 CG LEU A 20 -2.024 -2.007 2.144 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.425 -2.756 0.950 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.497 -2.400 2.243 1.00 0.00 C ATOM 0 H LEU A 20 0.424 -2.164 5.607 1.00 0.00 H new ATOM 0 HA LEU A 20 0.611 -2.567 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.561 -3.322 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.797 -1.650 4.253 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.874 -0.944 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.970 -2.491 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.376 -2.481 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.502 -3.830 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.991 -2.203 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.575 -3.461 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.977 -1.816 3.028 1.00 0.00 H new ATOM 303 N ILE A 21 1.260 -0.094 2.595 1.00 0.00 N ATOM 304 CA ILE A 21 1.614 1.322 2.560 1.00 0.00 C ATOM 305 C ILE A 21 1.086 1.979 1.279 1.00 0.00 C ATOM 306 O ILE A 21 1.391 1.616 0.138 1.00 0.00 O ATOM 307 CB ILE A 21 3.121 1.554 2.818 1.00 0.00 C ATOM 308 CG1 ILE A 21 3.566 1.468 4.296 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.560 2.932 2.315 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.368 0.114 4.974 1.00 0.00 C ATOM 0 H ILE A 21 1.642 -0.642 1.824 1.00 0.00 H new ATOM 0 HA ILE A 21 1.116 1.825 3.389 1.00 0.00 H new ATOM 0 HB ILE A 21 3.593 0.735 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.622 1.730 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.020 2.221 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.624 3.068 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.375 3.004 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.994 3.706 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.714 0.170 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.310 -0.149 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.938 -0.647 4.441 1.00 0.00 H new ATOM 322 N ASP A 22 0.289 3.003 1.535 1.00 0.00 N ATOM 323 CA ASP A 22 -0.411 3.926 0.672 1.00 0.00 C ATOM 324 C ASP A 22 0.609 5.003 0.315 1.00 0.00 C ATOM 325 O ASP A 22 0.886 5.903 1.109 1.00 0.00 O ATOM 326 CB ASP A 22 -1.675 4.530 1.354 1.00 0.00 C ATOM 327 CG ASP A 22 -1.843 4.378 2.880 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.484 5.241 3.511 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.477 3.327 3.453 1.00 0.00 O ATOM 0 H ASP A 22 0.093 3.235 2.509 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.790 3.422 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.696 5.595 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.550 4.085 0.880 1.00 0.00 H new ATOM 334 N ILE A 23 1.206 4.865 -0.873 1.00 0.00 N ATOM 335 CA ILE A 23 2.214 5.777 -1.423 1.00 0.00 C ATOM 336 C ILE A 23 1.580 6.883 -2.289 1.00 0.00 C ATOM 337 O ILE A 23 2.304 7.591 -2.996 1.00 0.00 O ATOM 338 CB ILE A 23 3.286 4.995 -2.231 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.675 4.012 -3.255 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.230 4.255 -1.280 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.705 3.440 -4.238 1.00 0.00 C ATOM 0 H ILE A 23 0.994 4.089 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 23 2.702 6.264 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 23 3.847 5.733 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.199 3.190 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.893 4.523 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.976 3.711 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.728 4.974 -0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.658 3.552 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.209 2.758 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.164 4.254 -4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.475 2.901 -3.686 1.00 0.00 H new ATOM 353 N ARG A 24 0.252 7.029 -2.278 1.00 0.00 N ATOM 354 CA ARG A 24 -0.471 7.998 -3.097 1.00 0.00 C ATOM 355 C ARG A 24 -0.279 9.468 -2.709 1.00 0.00 C ATOM 356 O ARG A 24 0.478 10.173 -3.381 1.00 0.00 O ATOM 357 CB ARG A 24 -1.967 7.622 -3.264 1.00 0.00 C ATOM 358 CG ARG A 24 -2.364 6.153 -3.005 1.00 0.00 C ATOM 359 CD ARG A 24 -3.890 5.957 -2.997 1.00 0.00 C ATOM 360 NE ARG A 24 -4.443 6.009 -1.639 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.730 5.873 -1.298 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.703 6.120 -2.167 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.085 5.483 -0.091 1.00 0.00 N ATOM 0 H ARG A 24 -0.359 6.465 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 24 0.005 7.924 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.550 8.252 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.267 7.878 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.922 5.518 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.953 5.830 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.358 6.728 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.135 4.997 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.781 6.164 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.476 6.420 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.677 6.010 -1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.372 5.277 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.073 5.387 0.144 1.00 0.00 H new ATOM 377 N ASP A 25 -1.018 9.970 -1.725 1.00 0.00 N ATOM 378 CA ASP A 25 -1.005 11.365 -1.251 1.00 0.00 C ATOM 379 C ASP A 25 -1.342 11.371 0.252 1.00 0.00 C ATOM 380 O ASP A 25 -1.050 10.392 0.931 1.00 0.00 O ATOM 381 CB ASP A 25 -2.035 12.175 -2.081 1.00 0.00 C ATOM 382 CG ASP A 25 -1.530 12.728 -3.407 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.452 13.363 -3.454 1.00 0.00 O ATOM 384 OD2 ASP A 25 -2.262 12.603 -4.419 1.00 0.00 O ATOM 0 H ASP A 25 -1.678 9.392 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.026 11.827 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.896 11.537 -2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.389 13.008 -1.473 1.00 0.00 H new ATOM 389 N ALA A 26 -1.895 12.459 0.806 1.00 0.00 N ATOM 390 CA ALA A 26 -2.291 12.589 2.207 1.00 0.00 C ATOM 391 C ALA A 26 -3.797 12.880 2.330 1.00 0.00 C ATOM 392 O ALA A 26 -4.431 12.390 3.262 1.00 0.00 O ATOM 393 CB ALA A 26 -1.452 13.674 2.885 1.00 0.00 C ATOM 0 H ALA A 26 -2.084 13.303 0.266 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.105 11.643 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.752 13.766 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.397 13.404 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.609 14.626 2.377 1.00 0.00 H new ATOM 399 N ASP A 27 -4.386 13.633 1.390 1.00 0.00 N ATOM 400 CA ASP A 27 -5.821 13.964 1.396 1.00 0.00 C ATOM 401 C ASP A 27 -6.667 12.702 1.256 1.00 0.00 C ATOM 402 O ASP A 27 -7.750 12.598 1.824 1.00 0.00 O ATOM 403 CB ASP A 27 -6.163 14.920 0.247 1.00 0.00 C ATOM 404 CG ASP A 27 -7.644 15.317 0.247 1.00 0.00 C ATOM 405 OD1 ASP A 27 -8.262 15.395 -0.848 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.162 15.723 1.313 1.00 0.00 O ATOM 0 H ASP A 27 -3.879 14.032 0.600 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.043 14.447 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.548 15.816 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.915 14.447 -0.703 1.00 0.00 H new ATOM 411 N GLU A 28 -6.144 11.747 0.489 1.00 0.00 N ATOM 412 CA GLU A 28 -6.717 10.441 0.205 1.00 0.00 C ATOM 413 C GLU A 28 -7.104 9.746 1.510 1.00 0.00 C ATOM 414 O GLU A 28 -8.280 9.454 1.727 1.00 0.00 O ATOM 415 CB GLU A 28 -5.703 9.618 -0.615 1.00 0.00 C ATOM 416 CG GLU A 28 -4.231 9.651 -0.129 1.00 0.00 C ATOM 417 CD GLU A 28 -3.674 8.289 0.272 1.00 0.00 C ATOM 418 OE1 GLU A 28 -2.678 7.848 -0.340 1.00 0.00 O ATOM 419 OE2 GLU A 28 -4.302 7.635 1.123 1.00 0.00 O ATOM 0 H GLU A 28 -5.248 11.878 0.020 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.628 10.544 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.035 8.580 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.730 9.972 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.608 10.067 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.157 10.327 0.723 1.00 0.00 H new ATOM 426 N TYR A 29 -6.130 9.588 2.406 1.00 0.00 N ATOM 427 CA TYR A 29 -6.273 8.948 3.699 1.00 0.00 C ATOM 428 C TYR A 29 -7.397 9.577 4.530 1.00 0.00 C ATOM 429 O TYR A 29 -8.093 8.880 5.272 1.00 0.00 O ATOM 430 CB TYR A 29 -4.908 8.954 4.410 1.00 0.00 C ATOM 431 CG TYR A 29 -4.963 8.521 5.862 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.284 9.442 6.879 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.682 7.188 6.193 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.361 9.018 8.218 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.724 6.768 7.532 1.00 0.00 C ATOM 436 CZ TYR A 29 -5.084 7.671 8.551 1.00 0.00 C ATOM 437 OH TYR A 29 -5.152 7.234 9.839 1.00 0.00 O ATOM 0 H TYR A 29 -5.181 9.920 2.236 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.579 7.911 3.563 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.227 8.295 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.488 9.958 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.471 10.476 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.432 6.482 5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.632 9.721 8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.479 5.746 7.782 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.930 6.280 9.873 1.00 0.00 H new ATOM 447 N LEU A 30 -7.580 10.899 4.443 1.00 0.00 N ATOM 448 CA LEU A 30 -8.628 11.602 5.180 1.00 0.00 C ATOM 449 C LEU A 30 -10.003 11.252 4.617 1.00 0.00 C ATOM 450 O LEU A 30 -10.960 11.103 5.381 1.00 0.00 O ATOM 451 CB LEU A 30 -8.401 13.118 5.126 1.00 0.00 C ATOM 452 CG LEU A 30 -7.271 13.565 6.062 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.758 14.944 5.663 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.762 13.604 7.512 1.00 0.00 C ATOM 0 H LEU A 30 -7.006 11.508 3.860 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.587 11.283 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.163 13.412 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.322 13.632 5.399 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.458 12.844 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.957 15.244 6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.378 14.909 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.572 15.666 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.948 13.923 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.591 14.306 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.097 12.610 7.810 1.00 0.00 H new ATOM 466 N ARG A 31 -10.126 11.140 3.294 1.00 0.00 N ATOM 467 CA ARG A 31 -11.384 10.795 2.641 1.00 0.00 C ATOM 468 C ARG A 31 -11.769 9.386 3.046 1.00 0.00 C ATOM 469 O ARG A 31 -12.803 9.178 3.680 1.00 0.00 O ATOM 470 CB ARG A 31 -11.274 10.942 1.128 1.00 0.00 C ATOM 471 CG ARG A 31 -11.056 12.399 0.758 1.00 0.00 C ATOM 472 CD ARG A 31 -11.110 12.550 -0.750 1.00 0.00 C ATOM 473 NE ARG A 31 -11.083 13.968 -1.122 1.00 0.00 N ATOM 474 CZ ARG A 31 -12.139 14.777 -1.239 1.00 0.00 C ATOM 475 NH1 ARG A 31 -13.369 14.304 -1.056 1.00 0.00 N ATOM 476 NH2 ARG A 31 -11.954 16.057 -1.533 1.00 0.00 N ATOM 0 H ARG A 31 -9.352 11.287 2.646 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.168 11.482 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.447 10.337 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.181 10.570 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.819 13.022 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.092 12.741 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.265 12.032 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.016 12.083 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.168 14.377 -1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.508 13.320 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.173 14.925 -1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.010 16.418 -1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.756 16.680 -1.624 1.00 0.00 H new ATOM 490 N GLU A 32 -10.948 8.422 2.656 1.00 0.00 N ATOM 491 CA GLU A 32 -11.140 7.016 2.956 1.00 0.00 C ATOM 492 C GLU A 32 -9.821 6.287 2.725 1.00 0.00 C ATOM 493 O GLU A 32 -9.094 6.611 1.786 1.00 0.00 O ATOM 494 CB GLU A 32 -12.256 6.408 2.090 1.00 0.00 C ATOM 495 CG GLU A 32 -12.223 6.700 0.576 1.00 0.00 C ATOM 496 CD GLU A 32 -12.819 8.047 0.135 1.00 0.00 C ATOM 497 OE1 GLU A 32 -12.253 8.661 -0.807 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.889 8.455 0.645 1.00 0.00 O ATOM 0 H GLU A 32 -10.108 8.604 2.107 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.447 6.908 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.234 5.327 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.212 6.758 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.187 6.657 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.758 5.903 0.061 1.00 0.00 H new ATOM 505 N HIS A 33 -9.532 5.261 3.526 1.00 0.00 N ATOM 506 CA HIS A 33 -8.309 4.468 3.417 1.00 0.00 C ATOM 507 C HIS A 33 -8.626 3.000 3.702 1.00 0.00 C ATOM 508 O HIS A 33 -9.801 2.611 3.652 1.00 0.00 O ATOM 509 CB HIS A 33 -7.213 5.057 4.322 1.00 0.00 C ATOM 510 CG HIS A 33 -7.308 4.794 5.800 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.387 4.070 6.516 1.00 0.00 N ATOM 512 CD2 HIS A 33 -8.204 5.322 6.688 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.734 4.118 7.807 1.00 0.00 C ATOM 514 NE2 HIS A 33 -7.860 4.842 7.961 1.00 0.00 N ATOM 0 H HIS A 33 -10.149 4.954 4.278 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.913 4.510 2.402 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.252 4.677 3.975 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.201 6.137 4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.024 5.985 6.453 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.190 3.644 8.611 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.364 5.009 8.832 1.00 0.00 H new ATOM 522 N ILE A 34 -7.616 2.161 3.913 1.00 0.00 N ATOM 523 CA ILE A 34 -7.760 0.746 4.224 1.00 0.00 C ATOM 524 C ILE A 34 -7.361 0.636 5.699 1.00 0.00 C ATOM 525 O ILE A 34 -6.334 1.182 6.094 1.00 0.00 O ATOM 526 CB ILE A 34 -6.911 -0.135 3.289 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.464 -0.009 1.853 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.962 -1.607 3.750 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.518 -0.589 0.810 1.00 0.00 C ATOM 0 H ILE A 34 -6.642 2.460 3.870 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.775 0.381 4.066 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.873 0.196 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.425 -0.520 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.647 1.042 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.358 -2.219 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.571 -1.684 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.994 -1.959 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.955 -0.474 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.565 -0.061 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.355 -1.647 1.015 1.00 0.00 H new ATOM 541 N PRO A 35 -8.140 -0.072 6.526 1.00 0.00 N ATOM 542 CA PRO A 35 -7.850 -0.202 7.950 1.00 0.00 C ATOM 543 C PRO A 35 -6.548 -0.951 8.222 1.00 0.00 C ATOM 544 O PRO A 35 -5.826 -0.628 9.158 1.00 0.00 O ATOM 545 CB PRO A 35 -9.061 -0.930 8.538 1.00 0.00 C ATOM 546 CG PRO A 35 -9.671 -1.674 7.350 1.00 0.00 C ATOM 547 CD PRO A 35 -9.356 -0.776 6.165 1.00 0.00 C ATOM 0 HA PRO A 35 -7.697 0.774 8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.765 -1.619 9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.772 -0.229 8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.233 -2.665 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.745 -1.813 7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.216 -1.361 5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.171 -0.078 5.973 1.00 0.00 H new ATOM 555 N GLU A 36 -6.219 -1.923 7.377 1.00 0.00 N ATOM 556 CA GLU A 36 -5.024 -2.745 7.500 1.00 0.00 C ATOM 557 C GLU A 36 -3.729 -2.003 7.124 1.00 0.00 C ATOM 558 O GLU A 36 -2.636 -2.562 7.255 1.00 0.00 O ATOM 559 CB GLU A 36 -5.181 -3.989 6.621 1.00 0.00 C ATOM 560 CG GLU A 36 -6.438 -4.805 6.932 1.00 0.00 C ATOM 561 CD GLU A 36 -6.411 -5.610 8.232 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.626 -5.328 9.166 1.00 0.00 O ATOM 563 OE2 GLU A 36 -7.305 -6.474 8.388 1.00 0.00 O ATOM 0 H GLU A 36 -6.791 -2.165 6.568 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.928 -3.018 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.206 -3.684 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.305 -4.625 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.289 -4.125 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.614 -5.493 6.105 1.00 0.00 H new ATOM 570 N ALA A 37 -3.831 -0.773 6.613 1.00 0.00 N ATOM 571 CA ALA A 37 -2.719 0.061 6.181 1.00 0.00 C ATOM 572 C ALA A 37 -2.324 1.114 7.212 1.00 0.00 C ATOM 573 O ALA A 37 -2.809 1.083 8.350 1.00 0.00 O ATOM 574 CB ALA A 37 -3.134 0.725 4.866 1.00 0.00 C ATOM 0 H ALA A 37 -4.734 -0.316 6.486 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.836 -0.566 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.324 1.361 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.348 -0.043 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.026 1.330 5.030 1.00 0.00 H new ATOM 580 N ASP A 38 -1.377 1.983 6.846 1.00 0.00 N ATOM 581 CA ASP A 38 -0.943 3.067 7.745 1.00 0.00 C ATOM 582 C ASP A 38 -1.095 4.458 7.136 1.00 0.00 C ATOM 583 O ASP A 38 -2.042 5.136 7.529 1.00 0.00 O ATOM 584 CB ASP A 38 0.433 2.848 8.350 1.00 0.00 C ATOM 585 CG ASP A 38 0.560 3.747 9.582 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.088 3.408 10.597 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.303 4.759 9.570 1.00 0.00 O ATOM 0 H ASP A 38 -0.899 1.962 5.945 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.642 3.024 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.565 1.802 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.210 3.086 7.624 1.00 0.00 H new ATOM 592 N LEU A 39 -0.221 4.836 6.189 1.00 0.00 N ATOM 593 CA LEU A 39 -0.074 6.061 5.390 1.00 0.00 C ATOM 594 C LEU A 39 1.392 6.460 5.287 1.00 0.00 C ATOM 595 O LEU A 39 2.087 6.571 6.300 1.00 0.00 O ATOM 596 CB LEU A 39 -0.885 7.234 5.923 1.00 0.00 C ATOM 597 CG LEU A 39 -0.690 8.544 5.130 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.167 8.413 3.681 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.453 9.671 5.821 1.00 0.00 C ATOM 0 H LEU A 39 0.515 4.180 5.928 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.469 5.823 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.942 6.967 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.613 7.408 6.964 1.00 0.00 H new ATOM 0 HG LEU A 39 0.377 8.767 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.011 9.358 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.602 7.626 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.228 8.162 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.317 10.598 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.514 9.422 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.074 9.799 6.835 1.00 0.00 H new ATOM 611 N ALA A 40 1.864 6.675 4.057 1.00 0.00 N ATOM 612 CA ALA A 40 3.243 7.071 3.762 1.00 0.00 C ATOM 613 C ALA A 40 3.406 7.347 2.254 1.00 0.00 C ATOM 614 O ALA A 40 3.931 6.481 1.547 1.00 0.00 O ATOM 615 CB ALA A 40 4.221 5.991 4.259 1.00 0.00 C ATOM 0 H ALA A 40 1.287 6.577 3.222 1.00 0.00 H new ATOM 0 HA ALA A 40 3.477 7.995 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.243 6.295 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.108 5.865 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.005 5.047 3.759 1.00 0.00 H new ATOM 621 N PRO A 41 2.994 8.534 1.763 1.00 0.00 N ATOM 622 CA PRO A 41 3.083 8.894 0.354 1.00 0.00 C ATOM 623 C PRO A 41 4.530 8.908 -0.139 1.00 0.00 C ATOM 624 O PRO A 41 5.435 9.325 0.589 1.00 0.00 O ATOM 625 CB PRO A 41 2.385 10.247 0.195 1.00 0.00 C ATOM 626 CG PRO A 41 2.382 10.830 1.601 1.00 0.00 C ATOM 627 CD PRO A 41 2.381 9.610 2.521 1.00 0.00 C ATOM 0 HA PRO A 41 2.588 8.149 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.919 10.892 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.372 10.130 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.258 11.456 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.505 11.455 1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.940 9.811 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.366 9.348 2.819 1.00 0.00 H new ATOM 635 N LEU A 42 4.734 8.536 -1.410 1.00 0.00 N ATOM 636 CA LEU A 42 6.057 8.488 -2.041 1.00 0.00 C ATOM 637 C LEU A 42 6.777 9.834 -1.897 1.00 0.00 C ATOM 638 O LEU A 42 7.977 9.897 -1.665 1.00 0.00 O ATOM 639 CB LEU A 42 5.937 8.166 -3.534 1.00 0.00 C ATOM 640 CG LEU A 42 7.079 7.346 -4.171 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.340 7.053 -3.337 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.481 6.007 -4.571 1.00 0.00 C ATOM 0 H LEU A 42 3.977 8.257 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 42 6.627 7.706 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.004 7.624 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.853 9.107 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 42 7.447 7.978 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.042 6.468 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.808 7.992 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.064 6.491 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.252 5.387 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.089 5.505 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.673 6.168 -5.285 1.00 0.00 H new ATOM 654 N SER A 43 6.015 10.921 -1.994 1.00 0.00 N ATOM 655 CA SER A 43 6.469 12.297 -1.897 1.00 0.00 C ATOM 656 C SER A 43 7.228 12.576 -0.586 1.00 0.00 C ATOM 657 O SER A 43 8.113 13.431 -0.556 1.00 0.00 O ATOM 658 CB SER A 43 5.225 13.181 -2.076 1.00 0.00 C ATOM 659 OG SER A 43 4.444 12.718 -3.178 1.00 0.00 O ATOM 0 H SER A 43 5.009 10.856 -2.151 1.00 0.00 H new ATOM 0 HA SER A 43 7.201 12.519 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.626 13.167 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.526 14.215 -2.244 1.00 0.00 H new ATOM 0 HG SER A 43 3.653 13.288 -3.281 1.00 0.00 H new ATOM 665 N VAL A 44 6.902 11.869 0.500 1.00 0.00 N ATOM 666 CA VAL A 44 7.557 12.020 1.799 1.00 0.00 C ATOM 667 C VAL A 44 8.762 11.074 1.864 1.00 0.00 C ATOM 668 O VAL A 44 9.784 11.420 2.463 1.00 0.00 O ATOM 669 CB VAL A 44 6.528 11.730 2.915 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.146 11.650 4.319 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.464 12.835 2.935 1.00 0.00 C ATOM 0 H VAL A 44 6.164 11.165 0.499 1.00 0.00 H new ATOM 0 HA VAL A 44 7.924 13.037 1.937 1.00 0.00 H new ATOM 0 HB VAL A 44 6.101 10.755 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.364 11.444 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.887 10.851 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.627 12.598 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.740 12.628 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.941 13.796 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.954 12.866 1.972 1.00 0.00 H new ATOM 681 N LEU A 45 8.645 9.897 1.247 1.00 0.00 N ATOM 682 CA LEU A 45 9.651 8.843 1.190 1.00 0.00 C ATOM 683 C LEU A 45 10.871 9.268 0.401 1.00 0.00 C ATOM 684 O LEU A 45 11.978 9.113 0.906 1.00 0.00 O ATOM 685 CB LEU A 45 9.024 7.585 0.581 1.00 0.00 C ATOM 686 CG LEU A 45 8.349 6.678 1.618 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.397 5.713 2.173 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.623 7.379 2.778 1.00 0.00 C ATOM 0 H LEU A 45 7.794 9.642 0.745 1.00 0.00 H new ATOM 0 HA LEU A 45 9.989 8.633 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.288 7.880 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.796 7.018 0.061 1.00 0.00 H new ATOM 0 HG LEU A 45 7.550 6.169 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.934 5.060 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.804 5.111 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.201 6.280 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.189 6.631 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.333 7.989 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.832 8.015 2.381 1.00 0.00 H new ATOM 700 N GLU A 46 10.678 9.827 -0.796 1.00 0.00 N ATOM 701 CA GLU A 46 11.771 10.299 -1.638 1.00 0.00 C ATOM 702 C GLU A 46 12.643 11.305 -0.866 1.00 0.00 C ATOM 703 O GLU A 46 13.824 11.476 -1.172 1.00 0.00 O ATOM 704 CB GLU A 46 11.237 10.992 -2.900 1.00 0.00 C ATOM 705 CG GLU A 46 10.785 10.021 -4.000 1.00 0.00 C ATOM 706 CD GLU A 46 10.586 10.674 -5.373 1.00 0.00 C ATOM 707 OE1 GLU A 46 10.706 9.956 -6.397 1.00 0.00 O ATOM 708 OE2 GLU A 46 10.241 11.876 -5.461 1.00 0.00 O ATOM 0 H GLU A 46 9.754 9.964 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 46 12.362 9.429 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.397 11.630 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.014 11.643 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.524 9.225 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.849 9.553 -3.694 1.00 0.00 H new ATOM 715 N GLN A 47 12.041 12.013 0.094 1.00 0.00 N ATOM 716 CA GLN A 47 12.678 13.001 0.942 1.00 0.00 C ATOM 717 C GLN A 47 13.248 12.357 2.216 1.00 0.00 C ATOM 718 O GLN A 47 14.397 11.926 2.257 1.00 0.00 O ATOM 719 CB GLN A 47 11.675 14.119 1.303 1.00 0.00 C ATOM 720 CG GLN A 47 11.242 15.011 0.139 1.00 0.00 C ATOM 721 CD GLN A 47 10.300 16.086 0.671 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.733 17.104 1.216 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.003 15.880 0.568 1.00 0.00 N ATOM 0 H GLN A 47 11.049 11.901 0.304 1.00 0.00 H new ATOM 0 HA GLN A 47 13.510 13.438 0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.787 13.661 1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.119 14.748 2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.113 15.470 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.743 14.417 -0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.655 15.035 0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.346 16.566 0.941 1.00 0.00 H new ATOM 732 N SER A 48 12.435 12.299 3.272 1.00 0.00 N ATOM 733 CA SER A 48 12.767 11.797 4.589 1.00 0.00 C ATOM 734 C SER A 48 13.104 10.311 4.662 1.00 0.00 C ATOM 735 O SER A 48 14.059 9.954 5.363 1.00 0.00 O ATOM 736 CB SER A 48 11.600 12.146 5.521 1.00 0.00 C ATOM 737 OG SER A 48 12.063 12.251 6.847 1.00 0.00 O ATOM 0 H SER A 48 11.470 12.623 3.218 1.00 0.00 H new ATOM 0 HA SER A 48 13.695 12.279 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.143 13.086 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.828 11.379 5.455 1.00 0.00 H new ATOM 0 HG SER A 48 11.314 12.476 7.438 1.00 0.00 H new ATOM 743 N GLY A 49 12.341 9.459 3.978 1.00 0.00 N ATOM 744 CA GLY A 49 12.547 8.015 3.983 1.00 0.00 C ATOM 745 C GLY A 49 11.425 7.281 4.715 1.00 0.00 C ATOM 746 O GLY A 49 10.418 7.881 5.102 1.00 0.00 O ATOM 0 H GLY A 49 11.555 9.757 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.608 7.654 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.501 7.786 4.458 1.00 0.00 H new ATOM 750 N LEU A 50 11.563 5.956 4.862 1.00 0.00 N ATOM 751 CA LEU A 50 10.566 5.118 5.528 1.00 0.00 C ATOM 752 C LEU A 50 10.807 5.124 7.044 1.00 0.00 C ATOM 753 O LEU A 50 11.948 4.929 7.469 1.00 0.00 O ATOM 754 CB LEU A 50 10.608 3.699 4.929 1.00 0.00 C ATOM 755 CG LEU A 50 9.265 2.950 5.045 1.00 0.00 C ATOM 756 CD1 LEU A 50 9.117 1.896 3.954 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.104 2.203 6.360 1.00 0.00 C ATOM 0 H LEU A 50 12.372 5.438 4.520 1.00 0.00 H new ATOM 0 HA LEU A 50 9.565 5.516 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.891 3.763 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.383 3.122 5.433 1.00 0.00 H new ATOM 0 HG LEU A 50 8.513 3.735 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.159 1.388 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.161 2.376 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.925 1.169 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.138 1.698 6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.900 1.465 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.158 2.909 7.189 1.00 0.00 H new ATOM 769 N PRO A 51 9.778 5.330 7.884 1.00 0.00 N ATOM 770 CA PRO A 51 9.949 5.353 9.334 1.00 0.00 C ATOM 771 C PRO A 51 10.343 3.975 9.876 1.00 0.00 C ATOM 772 O PRO A 51 9.883 2.943 9.386 1.00 0.00 O ATOM 773 CB PRO A 51 8.601 5.814 9.897 1.00 0.00 C ATOM 774 CG PRO A 51 7.594 5.453 8.806 1.00 0.00 C ATOM 775 CD PRO A 51 8.391 5.564 7.510 1.00 0.00 C ATOM 0 HA PRO A 51 10.756 6.023 9.630 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.369 5.311 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.600 6.885 10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.199 4.447 8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.742 6.133 8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.053 4.831 6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.268 6.548 7.057 1.00 0.00 H new ATOM 783 N ALA A 52 11.113 3.939 10.967 1.00 0.00 N ATOM 784 CA ALA A 52 11.563 2.692 11.583 1.00 0.00 C ATOM 785 C ALA A 52 10.412 1.781 12.057 1.00 0.00 C ATOM 786 O ALA A 52 10.658 0.622 12.396 1.00 0.00 O ATOM 787 CB ALA A 52 12.541 2.992 12.720 1.00 0.00 C ATOM 0 H ALA A 52 11.441 4.777 11.447 1.00 0.00 H new ATOM 0 HA ALA A 52 12.075 2.125 10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.871 2.057 13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.404 3.528 12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.046 3.605 13.473 1.00 0.00 H new ATOM 793 N LYS A 53 9.162 2.257 12.090 1.00 0.00 N ATOM 794 CA LYS A 53 8.016 1.449 12.493 1.00 0.00 C ATOM 795 C LYS A 53 7.500 0.651 11.297 1.00 0.00 C ATOM 796 O LYS A 53 7.535 -0.579 11.336 1.00 0.00 O ATOM 797 CB LYS A 53 6.893 2.304 13.109 1.00 0.00 C ATOM 798 CG LYS A 53 7.335 3.204 14.273 1.00 0.00 C ATOM 799 CD LYS A 53 7.915 2.428 15.463 1.00 0.00 C ATOM 800 CE LYS A 53 8.441 3.369 16.553 1.00 0.00 C ATOM 801 NZ LYS A 53 9.725 4.005 16.183 1.00 0.00 N ATOM 0 H LYS A 53 8.921 3.215 11.837 1.00 0.00 H new ATOM 0 HA LYS A 53 8.347 0.759 13.269 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.461 2.930 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.102 1.642 13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.082 3.910 13.912 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.481 3.790 14.613 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.147 1.779 15.883 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.723 1.784 15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.699 4.143 16.749 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.570 2.810 17.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.037 4.631 16.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.443 3.270 16.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.599 4.562 15.314 1.00 0.00 H new ATOM 815 N LEU A 54 7.098 1.316 10.207 1.00 0.00 N ATOM 816 CA LEU A 54 6.539 0.684 9.000 1.00 0.00 C ATOM 817 C LEU A 54 7.466 -0.250 8.226 1.00 0.00 C ATOM 818 O LEU A 54 7.015 -0.929 7.310 1.00 0.00 O ATOM 819 CB LEU A 54 5.964 1.750 8.048 1.00 0.00 C ATOM 820 CG LEU A 54 4.688 2.424 8.569 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.320 3.593 7.648 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.519 1.436 8.629 1.00 0.00 C ATOM 0 H LEU A 54 7.153 2.332 10.136 1.00 0.00 H new ATOM 0 HA LEU A 54 5.756 0.034 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.722 2.514 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.751 1.286 7.085 1.00 0.00 H new ATOM 0 HG LEU A 54 4.880 2.785 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.414 4.074 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.135 4.316 7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.149 3.221 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.631 1.946 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.321 1.046 7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.772 0.613 9.297 1.00 0.00 H new ATOM 834 N ARG A 55 8.750 -0.305 8.561 1.00 0.00 N ATOM 835 CA ARG A 55 9.769 -1.156 7.935 1.00 0.00 C ATOM 836 C ARG A 55 9.643 -2.612 8.397 1.00 0.00 C ATOM 837 O ARG A 55 10.654 -3.284 8.627 1.00 0.00 O ATOM 838 CB ARG A 55 11.188 -0.612 8.190 1.00 0.00 C ATOM 839 CG ARG A 55 11.568 -0.570 9.672 1.00 0.00 C ATOM 840 CD ARG A 55 13.068 -0.747 9.891 1.00 0.00 C ATOM 841 NE ARG A 55 13.854 0.184 9.066 1.00 0.00 N ATOM 842 CZ ARG A 55 14.962 -0.090 8.370 1.00 0.00 C ATOM 843 NH1 ARG A 55 15.523 -1.296 8.365 1.00 0.00 N ATOM 844 NH2 ARG A 55 15.509 0.886 7.663 1.00 0.00 N ATOM 0 H ARG A 55 9.133 0.269 9.313 1.00 0.00 H new ATOM 0 HA ARG A 55 9.595 -1.135 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.908 -1.232 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.263 0.393 7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.251 0.381 10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.030 -1.354 10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.303 -0.587 10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.352 -1.772 9.653 1.00 0.00 H new ATOM 0 HE ARG A 55 13.516 1.145 9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.107 -2.054 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.369 -1.463 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.085 1.814 7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.355 0.711 7.121 1.00 0.00 H new ATOM 858 N HIS A 56 8.414 -3.065 8.628 1.00 0.00 N ATOM 859 CA HIS A 56 8.120 -4.428 9.053 1.00 0.00 C ATOM 860 C HIS A 56 8.803 -5.406 8.084 1.00 0.00 C ATOM 861 O HIS A 56 9.117 -5.046 6.947 1.00 0.00 O ATOM 862 CB HIS A 56 6.605 -4.655 9.160 1.00 0.00 C ATOM 863 CG HIS A 56 6.234 -5.696 10.189 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.377 -5.580 11.557 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.663 -6.913 9.941 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.891 -6.701 12.114 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.447 -7.548 11.171 1.00 0.00 N ATOM 0 H HIS A 56 7.582 -2.485 8.523 1.00 0.00 H new ATOM 0 HA HIS A 56 8.519 -4.605 10.052 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.119 -3.713 9.414 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.220 -4.961 8.187 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.421 -7.314 8.968 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.861 -6.895 13.176 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.035 -8.469 11.320 1.00 0.00 H new ATOM 875 N GLU A 57 9.000 -6.653 8.508 1.00 0.00 N ATOM 876 CA GLU A 57 9.669 -7.696 7.725 1.00 0.00 C ATOM 877 C GLU A 57 9.174 -7.803 6.281 1.00 0.00 C ATOM 878 O GLU A 57 9.978 -8.024 5.375 1.00 0.00 O ATOM 879 CB GLU A 57 9.572 -9.065 8.418 1.00 0.00 C ATOM 880 CG GLU A 57 10.193 -9.096 9.821 1.00 0.00 C ATOM 881 CD GLU A 57 9.194 -8.642 10.882 1.00 0.00 C ATOM 882 OE1 GLU A 57 9.199 -7.447 11.245 1.00 0.00 O ATOM 883 OE2 GLU A 57 8.361 -9.467 11.320 1.00 0.00 O ATOM 0 H GLU A 57 8.693 -6.976 9.426 1.00 0.00 H new ATOM 0 HA GLU A 57 10.713 -7.388 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.523 -9.352 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.065 -9.812 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.533 -10.106 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.071 -8.451 9.846 1.00 0.00 H new ATOM 890 N GLN A 58 7.875 -7.622 6.045 1.00 0.00 N ATOM 891 CA GLN A 58 7.283 -7.714 4.725 1.00 0.00 C ATOM 892 C GLN A 58 6.154 -6.708 4.612 1.00 0.00 C ATOM 893 O GLN A 58 5.315 -6.617 5.509 1.00 0.00 O ATOM 894 CB GLN A 58 6.823 -9.170 4.554 1.00 0.00 C ATOM 895 CG GLN A 58 6.088 -9.439 3.250 1.00 0.00 C ATOM 896 CD GLN A 58 6.125 -10.931 2.905 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.117 -11.441 2.393 1.00 0.00 O ATOM 898 NE2 GLN A 58 5.057 -11.663 3.151 1.00 0.00 N ATOM 0 H GLN A 58 7.202 -7.405 6.780 1.00 0.00 H new ATOM 0 HA GLN A 58 7.983 -7.471 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.693 -9.824 4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.172 -9.434 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.054 -9.106 3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.544 -8.863 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.234 -11.237 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.054 -12.656 2.916 1.00 0.00 H new ATOM 907 N ILE A 59 6.128 -5.952 3.515 1.00 0.00 N ATOM 908 CA ILE A 59 5.101 -4.951 3.263 1.00 0.00 C ATOM 909 C ILE A 59 4.675 -4.987 1.777 1.00 0.00 C ATOM 910 O ILE A 59 5.371 -5.566 0.938 1.00 0.00 O ATOM 911 CB ILE A 59 5.589 -3.562 3.753 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.378 -2.843 2.650 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.435 -3.576 5.051 1.00 0.00 C ATOM 914 CD1 ILE A 59 6.806 -1.405 2.974 1.00 0.00 C ATOM 0 H ILE A 59 6.825 -6.020 2.773 1.00 0.00 H new ATOM 0 HA ILE A 59 4.200 -5.174 3.834 1.00 0.00 H new ATOM 0 HB ILE A 59 4.671 -3.026 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.270 -3.427 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.771 -2.828 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.725 -2.557 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.847 -4.001 5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.329 -4.180 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.356 -0.990 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.922 -0.797 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.444 -1.406 3.858 1.00 0.00 H new ATOM 926 N ILE A 60 3.578 -4.308 1.429 1.00 0.00 N ATOM 927 CA ILE A 60 3.010 -4.212 0.076 1.00 0.00 C ATOM 928 C ILE A 60 2.615 -2.755 -0.216 1.00 0.00 C ATOM 929 O ILE A 60 1.909 -2.138 0.584 1.00 0.00 O ATOM 930 CB ILE A 60 1.804 -5.178 -0.078 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.196 -6.641 0.248 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.213 -5.129 -1.500 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.687 -7.107 1.613 1.00 0.00 C ATOM 0 H ILE A 60 3.034 -3.784 2.114 1.00 0.00 H new ATOM 0 HA ILE A 60 3.760 -4.514 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 60 1.052 -4.840 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.799 -7.298 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.282 -6.735 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.371 -5.818 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.872 -4.117 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.977 -5.417 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.994 -8.139 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.105 -6.471 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.599 -7.043 1.637 1.00 0.00 H new ATOM 945 N PHE A 61 3.103 -2.182 -1.324 1.00 0.00 N ATOM 946 CA PHE A 61 2.817 -0.819 -1.754 1.00 0.00 C ATOM 947 C PHE A 61 1.548 -0.839 -2.598 1.00 0.00 C ATOM 948 O PHE A 61 1.355 -1.741 -3.419 1.00 0.00 O ATOM 949 CB PHE A 61 3.972 -0.225 -2.588 1.00 0.00 C ATOM 950 CG PHE A 61 5.229 0.145 -1.819 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.124 1.036 -0.739 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.495 -0.374 -2.159 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.246 1.363 0.033 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.634 -0.002 -1.415 1.00 0.00 C ATOM 955 CZ PHE A 61 7.505 0.856 -0.309 1.00 0.00 C ATOM 0 H PHE A 61 3.727 -2.676 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 61 2.693 -0.195 -0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.242 -0.944 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.605 0.667 -3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.166 1.475 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.593 -1.057 -2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.140 2.007 0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.607 -0.377 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.374 1.123 0.274 1.00 0.00 H new ATOM 965 N HIS A 62 0.732 0.205 -2.472 1.00 0.00 N ATOM 966 CA HIS A 62 -0.522 0.341 -3.185 1.00 0.00 C ATOM 967 C HIS A 62 -0.700 1.778 -3.695 1.00 0.00 C ATOM 968 O HIS A 62 -0.689 2.726 -2.905 1.00 0.00 O ATOM 969 CB HIS A 62 -1.647 -0.090 -2.224 1.00 0.00 C ATOM 970 CG HIS A 62 -2.921 -0.550 -2.878 1.00 0.00 C ATOM 971 ND1 HIS A 62 -3.212 -0.500 -4.220 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.959 -1.181 -2.244 1.00 0.00 C ATOM 973 CE1 HIS A 62 -4.383 -1.129 -4.397 1.00 0.00 C ATOM 974 NE2 HIS A 62 -4.887 -1.540 -3.221 1.00 0.00 N ATOM 0 H HIS A 62 0.934 0.993 -1.857 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.544 -0.295 -4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.272 -0.896 -1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.879 0.748 -1.567 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.643 -0.065 -4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.043 -1.366 -1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.857 -1.284 -5.355 1.00 0.00 H new ATOM 982 N CYS A 63 -0.777 1.947 -5.021 1.00 0.00 N ATOM 983 CA CYS A 63 -0.992 3.245 -5.660 1.00 0.00 C ATOM 984 C CYS A 63 -2.507 3.451 -5.815 1.00 0.00 C ATOM 985 O CYS A 63 -3.290 2.517 -5.617 1.00 0.00 O ATOM 986 CB CYS A 63 -0.247 3.327 -7.010 1.00 0.00 C ATOM 987 SG CYS A 63 1.401 4.001 -6.701 1.00 0.00 S ATOM 0 H CYS A 63 -0.691 1.177 -5.684 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.584 4.046 -5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.175 2.339 -7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.793 3.961 -7.708 1.00 0.00 H new ATOM 0 HG CYS A 63 2.175 3.736 -7.711 1.00 0.00 H new ATOM 993 N GLN A 64 -2.922 4.670 -6.175 1.00 0.00 N ATOM 994 CA GLN A 64 -4.325 5.038 -6.343 1.00 0.00 C ATOM 995 C GLN A 64 -4.998 4.247 -7.470 1.00 0.00 C ATOM 996 O GLN A 64 -5.715 3.284 -7.208 1.00 0.00 O ATOM 997 CB GLN A 64 -4.437 6.560 -6.550 1.00 0.00 C ATOM 998 CG GLN A 64 -5.891 7.043 -6.470 1.00 0.00 C ATOM 999 CD GLN A 64 -6.086 8.339 -7.245 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.654 8.339 -8.334 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.606 9.447 -6.714 1.00 0.00 N ATOM 0 H GLN A 64 -2.278 5.439 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.866 4.773 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.842 7.074 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.019 6.826 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.554 6.275 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.169 7.195 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.139 9.417 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.702 10.333 -7.210 1.00 0.00 H new ATOM 1010 N ALA A 65 -4.818 4.696 -8.710 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.375 4.106 -9.913 1.00 0.00 C ATOM 1012 C ALA A 65 -4.367 4.380 -11.027 1.00 0.00 C ATOM 1013 O ALA A 65 -4.665 5.107 -11.981 1.00 0.00 O ATOM 1014 CB ALA A 65 -6.751 4.736 -10.187 1.00 0.00 C ATOM 0 H ALA A 65 -4.252 5.521 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.536 3.031 -9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.178 4.299 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.413 4.545 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.638 5.812 -10.323 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.146 3.876 -10.862 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.053 4.037 -11.799 1.00 0.00 C ATOM 1022 C GLY A 66 -0.995 2.995 -11.481 1.00 0.00 C ATOM 1023 O GLY A 66 -0.432 2.994 -10.388 1.00 0.00 O ATOM 0 H GLY A 66 -2.889 3.327 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.409 3.917 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.633 5.040 -11.724 1.00 0.00 H new ATOM 1027 N LYS A 67 -0.674 2.151 -12.463 1.00 0.00 N ATOM 1028 CA LYS A 67 0.301 1.060 -12.376 1.00 0.00 C ATOM 1029 C LYS A 67 1.728 1.469 -11.982 1.00 0.00 C ATOM 1030 O LYS A 67 2.575 0.580 -11.876 1.00 0.00 O ATOM 1031 CB LYS A 67 0.309 0.288 -13.710 1.00 0.00 C ATOM 1032 CG LYS A 67 -1.021 -0.439 -13.958 1.00 0.00 C ATOM 1033 CD LYS A 67 -1.072 -1.235 -15.268 1.00 0.00 C ATOM 1034 CE LYS A 67 -0.028 -2.344 -15.308 1.00 0.00 C ATOM 1035 NZ LYS A 67 -0.144 -3.178 -16.515 1.00 0.00 N ATOM 0 H LYS A 67 -1.107 2.212 -13.385 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.031 0.430 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.503 0.980 -14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.124 -0.436 -13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.211 -1.118 -13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.827 0.295 -13.961 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.065 -1.668 -15.390 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.914 -0.559 -16.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.968 -1.904 -15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.135 -2.972 -14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.587 -3.918 -16.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.085 -3.621 -16.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.016 -2.585 -17.360 1.00 0.00 H new ATOM 1049 N ARG A 68 2.036 2.761 -11.805 1.00 0.00 N ATOM 1050 CA ARG A 68 3.355 3.264 -11.420 1.00 0.00 C ATOM 1051 C ARG A 68 3.691 2.773 -10.014 1.00 0.00 C ATOM 1052 O ARG A 68 3.482 3.488 -9.034 1.00 0.00 O ATOM 1053 CB ARG A 68 3.440 4.804 -11.514 1.00 0.00 C ATOM 1054 CG ARG A 68 3.590 5.337 -12.948 1.00 0.00 C ATOM 1055 CD ARG A 68 2.274 5.491 -13.722 1.00 0.00 C ATOM 1056 NE ARG A 68 1.487 6.643 -13.247 1.00 0.00 N ATOM 1057 CZ ARG A 68 1.248 7.791 -13.895 1.00 0.00 C ATOM 1058 NH1 ARG A 68 1.766 8.032 -15.097 1.00 0.00 N ATOM 1059 NH2 ARG A 68 0.485 8.725 -13.348 1.00 0.00 N ATOM 0 H ARG A 68 1.350 3.506 -11.931 1.00 0.00 H new ATOM 0 HA ARG A 68 4.092 2.874 -12.122 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.543 5.235 -11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.287 5.148 -10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.087 6.306 -12.909 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.244 4.665 -13.503 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.490 5.612 -14.784 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.683 4.581 -13.618 1.00 0.00 H new ATOM 0 HE ARG A 68 1.077 6.556 -12.317 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.360 7.335 -15.545 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.569 8.914 -15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.074 8.573 -12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.308 9.596 -13.848 1.00 0.00 H new ATOM 1073 N THR A 69 4.230 1.564 -9.919 1.00 0.00 N ATOM 1074 CA THR A 69 4.623 0.916 -8.685 1.00 0.00 C ATOM 1075 C THR A 69 5.965 0.185 -8.836 1.00 0.00 C ATOM 1076 O THR A 69 6.983 0.701 -8.373 1.00 0.00 O ATOM 1077 CB THR A 69 3.486 0.001 -8.194 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.835 -0.689 -9.242 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.432 0.732 -7.372 1.00 0.00 C ATOM 0 H THR A 69 4.411 0.987 -10.740 1.00 0.00 H new ATOM 0 HA THR A 69 4.788 1.672 -7.918 1.00 0.00 H new ATOM 0 HB THR A 69 3.995 -0.719 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.126 -1.254 -8.871 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.662 0.027 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.899 1.174 -6.492 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.980 1.519 -7.976 1.00 0.00 H new ATOM 1087 N SER A 70 6.007 -0.978 -9.502 1.00 0.00 N ATOM 1088 CA SER A 70 7.232 -1.761 -9.658 1.00 0.00 C ATOM 1089 C SER A 70 8.358 -1.024 -10.386 1.00 0.00 C ATOM 1090 O SER A 70 9.520 -1.273 -10.075 1.00 0.00 O ATOM 1091 CB SER A 70 6.918 -3.122 -10.305 1.00 0.00 C ATOM 1092 OG SER A 70 7.882 -4.116 -10.010 1.00 0.00 O ATOM 0 H SER A 70 5.191 -1.398 -9.946 1.00 0.00 H new ATOM 0 HA SER A 70 7.621 -1.930 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.940 -3.462 -9.965 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.854 -2.997 -11.386 1.00 0.00 H new ATOM 0 HG SER A 70 7.629 -4.957 -10.446 1.00 0.00 H new ATOM 1098 N ASN A 71 8.075 -0.107 -11.318 1.00 0.00 N ATOM 1099 CA ASN A 71 9.171 0.566 -12.017 1.00 0.00 C ATOM 1100 C ASN A 71 10.005 1.476 -11.110 1.00 0.00 C ATOM 1101 O ASN A 71 11.209 1.612 -11.320 1.00 0.00 O ATOM 1102 CB ASN A 71 8.681 1.316 -13.255 1.00 0.00 C ATOM 1103 CG ASN A 71 9.886 1.809 -14.046 1.00 0.00 C ATOM 1104 OD1 ASN A 71 10.782 1.032 -14.375 1.00 0.00 O ATOM 1105 ND2 ASN A 71 9.944 3.088 -14.348 1.00 0.00 N ATOM 0 H ASN A 71 7.136 0.177 -11.597 1.00 0.00 H new ATOM 0 HA ASN A 71 9.839 -0.230 -12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.067 0.661 -13.873 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.054 2.158 -12.961 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.743 3.454 -14.865 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.190 3.714 -14.065 1.00 0.00 H new ATOM 1112 N ASN A 72 9.416 2.062 -10.062 1.00 0.00 N ATOM 1113 CA ASN A 72 10.149 2.938 -9.139 1.00 0.00 C ATOM 1114 C ASN A 72 11.041 2.141 -8.168 1.00 0.00 C ATOM 1115 O ASN A 72 11.560 2.720 -7.208 1.00 0.00 O ATOM 1116 CB ASN A 72 9.200 3.922 -8.422 1.00 0.00 C ATOM 1117 CG ASN A 72 9.067 5.214 -9.223 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.595 5.215 -10.357 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.507 6.340 -8.686 1.00 0.00 N ATOM 0 H ASN A 72 8.430 1.945 -9.831 1.00 0.00 H new ATOM 0 HA ASN A 72 10.831 3.546 -9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.219 3.463 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.581 4.143 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.455 7.211 -9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.899 6.337 -7.744 1.00 0.00 H new ATOM 1126 N ALA A 73 11.241 0.834 -8.404 1.00 0.00 N ATOM 1127 CA ALA A 73 12.053 -0.085 -7.608 1.00 0.00 C ATOM 1128 C ALA A 73 13.447 0.440 -7.298 1.00 0.00 C ATOM 1129 O ALA A 73 14.011 0.038 -6.286 1.00 0.00 O ATOM 1130 CB ALA A 73 12.242 -1.405 -8.362 1.00 0.00 C ATOM 0 H ALA A 73 10.812 0.369 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 73 11.509 -0.211 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.848 -2.083 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.269 -1.859 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.744 -1.214 -9.311 1.00 0.00 H new ATOM 1136 N ASP A 74 13.986 1.308 -8.153 1.00 0.00 N ATOM 1137 CA ASP A 74 15.291 1.928 -8.044 1.00 0.00 C ATOM 1138 C ASP A 74 15.482 2.483 -6.642 1.00 0.00 C ATOM 1139 O ASP A 74 16.519 2.275 -6.015 1.00 0.00 O ATOM 1140 CB ASP A 74 15.318 3.074 -9.062 1.00 0.00 C ATOM 1141 CG ASP A 74 15.964 2.755 -10.402 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.003 3.695 -11.229 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.332 1.588 -10.660 1.00 0.00 O ATOM 0 H ASP A 74 13.486 1.611 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 74 16.087 1.208 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.293 3.399 -9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.846 3.917 -8.617 1.00 0.00 H new ATOM 1148 N LYS A 75 14.460 3.204 -6.173 1.00 0.00 N ATOM 1149 CA LYS A 75 14.436 3.812 -4.858 1.00 0.00 C ATOM 1150 C LYS A 75 13.604 2.935 -3.951 1.00 0.00 C ATOM 1151 O LYS A 75 14.083 2.483 -2.926 1.00 0.00 O ATOM 1152 CB LYS A 75 13.872 5.246 -4.878 1.00 0.00 C ATOM 1153 CG LYS A 75 14.432 6.132 -5.996 1.00 0.00 C ATOM 1154 CD LYS A 75 13.629 6.026 -7.304 1.00 0.00 C ATOM 1155 CE LYS A 75 13.032 7.395 -7.671 1.00 0.00 C ATOM 1156 NZ LYS A 75 12.978 7.637 -9.126 1.00 0.00 N ATOM 0 H LYS A 75 13.614 3.380 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 75 15.460 3.891 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.788 5.195 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.080 5.719 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.437 7.170 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.468 5.854 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.275 5.675 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.832 5.291 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.025 7.466 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.624 8.180 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.566 8.575 -9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.940 7.599 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.390 6.908 -9.578 1.00 0.00 H new ATOM 1170 N LEU A 76 12.366 2.633 -4.342 1.00 0.00 N ATOM 1171 CA LEU A 76 11.448 1.827 -3.532 1.00 0.00 C ATOM 1172 C LEU A 76 12.035 0.544 -2.939 1.00 0.00 C ATOM 1173 O LEU A 76 11.911 0.331 -1.732 1.00 0.00 O ATOM 1174 CB LEU A 76 10.183 1.475 -4.329 1.00 0.00 C ATOM 1175 CG LEU A 76 9.235 2.645 -4.614 1.00 0.00 C ATOM 1176 CD1 LEU A 76 8.027 2.125 -5.403 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.751 3.281 -3.309 1.00 0.00 C ATOM 0 H LEU A 76 11.969 2.940 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 76 11.217 2.470 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.484 1.035 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.632 0.709 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 76 9.769 3.400 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.346 2.950 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.366 1.689 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.509 1.366 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.079 4.109 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.221 2.536 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.607 3.652 -2.745 1.00 0.00 H new ATOM 1189 N ALA A 77 12.619 -0.333 -3.762 1.00 0.00 N ATOM 1190 CA ALA A 77 13.192 -1.591 -3.288 1.00 0.00 C ATOM 1191 C ALA A 77 14.408 -1.371 -2.387 1.00 0.00 C ATOM 1192 O ALA A 77 14.743 -2.281 -1.635 1.00 0.00 O ATOM 1193 CB ALA A 77 13.580 -2.482 -4.474 1.00 0.00 C ATOM 0 H ALA A 77 12.706 -0.190 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 77 12.425 -2.086 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.005 -3.415 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.694 -2.698 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.317 -1.967 -5.090 1.00 0.00 H new ATOM 1199 N ALA A 78 15.063 -0.207 -2.466 1.00 0.00 N ATOM 1200 CA ALA A 78 16.236 0.156 -1.680 1.00 0.00 C ATOM 1201 C ALA A 78 15.851 0.890 -0.385 1.00 0.00 C ATOM 1202 O ALA A 78 16.513 0.713 0.638 1.00 0.00 O ATOM 1203 CB ALA A 78 17.151 1.031 -2.544 1.00 0.00 C ATOM 0 H ALA A 78 14.775 0.533 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 78 16.757 -0.754 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.034 1.312 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.456 0.474 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.615 1.930 -2.847 1.00 0.00 H new ATOM 1209 N ILE A 79 14.790 1.704 -0.405 1.00 0.00 N ATOM 1210 CA ILE A 79 14.286 2.463 0.733 1.00 0.00 C ATOM 1211 C ILE A 79 13.710 1.466 1.744 1.00 0.00 C ATOM 1212 O ILE A 79 14.091 1.458 2.917 1.00 0.00 O ATOM 1213 CB ILE A 79 13.202 3.496 0.291 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.747 4.669 -0.554 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.533 4.098 1.542 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.663 5.476 -1.302 1.00 0.00 C ATOM 0 H ILE A 79 14.240 1.855 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 79 15.097 3.034 1.185 1.00 0.00 H new ATOM 0 HB ILE A 79 12.503 2.939 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.300 5.345 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.457 4.277 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.775 4.820 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.064 3.303 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.285 4.597 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.134 6.279 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.125 4.817 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.965 5.902 -0.582 1.00 0.00 H new ATOM 1228 N ALA A 80 12.765 0.636 1.296 1.00 0.00 N ATOM 1229 CA ALA A 80 12.110 -0.335 2.154 1.00 0.00 C ATOM 1230 C ALA A 80 13.014 -1.492 2.597 1.00 0.00 C ATOM 1231 O ALA A 80 12.827 -1.986 3.709 1.00 0.00 O ATOM 1232 CB ALA A 80 10.877 -0.859 1.427 1.00 0.00 C ATOM 0 H ALA A 80 12.438 0.624 0.330 1.00 0.00 H new ATOM 0 HA ALA A 80 11.835 0.174 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.369 -1.591 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.201 -0.031 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.179 -1.330 0.492 1.00 0.00 H new ATOM 1238 N ALA A 81 14.001 -1.888 1.782 1.00 0.00 N ATOM 1239 CA ALA A 81 14.915 -2.987 2.091 1.00 0.00 C ATOM 1240 C ALA A 81 15.592 -2.866 3.464 1.00 0.00 C ATOM 1241 O ALA A 81 15.689 -1.756 3.999 1.00 0.00 O ATOM 1242 CB ALA A 81 15.978 -3.099 1.013 1.00 0.00 C ATOM 0 H ALA A 81 14.186 -1.447 0.881 1.00 0.00 H new ATOM 0 HA ALA A 81 14.301 -3.887 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.654 -3.920 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.502 -3.289 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.543 -2.168 0.961 1.00 0.00 H new ATOM 1248 N PRO A 82 16.140 -3.962 4.027 1.00 0.00 N ATOM 1249 CA PRO A 82 16.212 -5.340 3.497 1.00 0.00 C ATOM 1250 C PRO A 82 14.907 -6.128 3.605 1.00 0.00 C ATOM 1251 O PRO A 82 14.900 -7.348 3.471 1.00 0.00 O ATOM 1252 CB PRO A 82 17.308 -6.008 4.321 1.00 0.00 C ATOM 1253 CG PRO A 82 17.134 -5.348 5.676 1.00 0.00 C ATOM 1254 CD PRO A 82 16.845 -3.902 5.296 1.00 0.00 C ATOM 0 HA PRO A 82 16.415 -5.316 2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.177 -7.089 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.299 -5.828 3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.315 -5.791 6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.030 -5.436 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.239 -3.411 6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.768 -3.329 5.204 1.00 0.00 H new ATOM 1262 N ALA A 83 13.832 -5.434 3.949 1.00 0.00 N ATOM 1263 CA ALA A 83 12.525 -6.037 4.082 1.00 0.00 C ATOM 1264 C ALA A 83 11.985 -6.370 2.691 1.00 0.00 C ATOM 1265 O ALA A 83 12.497 -5.894 1.670 1.00 0.00 O ATOM 1266 CB ALA A 83 11.614 -5.062 4.817 1.00 0.00 C ATOM 0 H ALA A 83 13.848 -4.433 4.143 1.00 0.00 H new ATOM 0 HA ALA A 83 12.577 -6.963 4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.623 -5.502 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.027 -4.851 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.539 -4.135 4.249 1.00 0.00 H new ATOM 1272 N GLU A 84 10.916 -7.155 2.662 1.00 0.00 N ATOM 1273 CA GLU A 84 10.268 -7.569 1.435 1.00 0.00 C ATOM 1274 C GLU A 84 9.256 -6.507 1.010 1.00 0.00 C ATOM 1275 O GLU A 84 8.546 -5.962 1.865 1.00 0.00 O ATOM 1276 CB GLU A 84 9.596 -8.930 1.654 1.00 0.00 C ATOM 1277 CG GLU A 84 9.846 -9.908 0.506 1.00 0.00 C ATOM 1278 CD GLU A 84 11.317 -10.127 0.156 1.00 0.00 C ATOM 1279 OE1 GLU A 84 11.565 -10.474 -1.020 1.00 0.00 O ATOM 1280 OE2 GLU A 84 12.214 -9.920 1.001 1.00 0.00 O ATOM 0 H GLU A 84 10.473 -7.524 3.503 1.00 0.00 H new ATOM 0 HA GLU A 84 11.002 -7.674 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.964 -9.366 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.522 -8.785 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.402 -10.869 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.327 -9.545 -0.381 1.00 0.00 H new ATOM 1287 N ILE A 85 9.164 -6.229 -0.294 1.00 0.00 N ATOM 1288 CA ILE A 85 8.247 -5.258 -0.857 1.00 0.00 C ATOM 1289 C ILE A 85 7.572 -5.822 -2.097 1.00 0.00 C ATOM 1290 O ILE A 85 8.241 -6.286 -3.023 1.00 0.00 O ATOM 1291 CB ILE A 85 8.891 -3.898 -1.180 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.316 -3.932 -1.762 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.746 -2.943 -0.004 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.456 -4.207 -0.782 1.00 0.00 C ATOM 0 H ILE A 85 9.743 -6.689 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 85 7.507 -5.066 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 85 8.317 -3.511 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.346 -4.694 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.508 -2.974 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.208 -1.987 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.689 -2.790 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.238 -3.367 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.405 -4.204 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.470 -3.433 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.307 -5.180 -0.314 1.00 0.00 H new ATOM 1306 N PHE A 86 6.246 -5.715 -2.126 1.00 0.00 N ATOM 1307 CA PHE A 86 5.418 -6.168 -3.230 1.00 0.00 C ATOM 1308 C PHE A 86 4.483 -5.048 -3.661 1.00 0.00 C ATOM 1309 O PHE A 86 4.357 -4.050 -2.952 1.00 0.00 O ATOM 1310 CB PHE A 86 4.598 -7.402 -2.837 1.00 0.00 C ATOM 1311 CG PHE A 86 5.419 -8.552 -2.311 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.625 -8.687 -0.929 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.001 -9.468 -3.204 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.424 -9.735 -0.452 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.786 -10.528 -2.722 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.994 -10.660 -1.338 1.00 0.00 C ATOM 0 H PHE A 86 5.710 -5.301 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 86 6.072 -6.442 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.871 -7.114 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.035 -7.741 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.172 -7.990 -0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.844 -9.356 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.602 -9.831 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.226 -11.236 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.593 -11.474 -0.957 1.00 0.00 H new ATOM 1326 N LEU A 87 3.797 -5.210 -4.791 1.00 0.00 N ATOM 1327 CA LEU A 87 2.850 -4.252 -5.331 1.00 0.00 C ATOM 1328 C LEU A 87 1.522 -4.935 -5.609 1.00 0.00 C ATOM 1329 O LEU A 87 1.434 -6.164 -5.631 1.00 0.00 O ATOM 1330 CB LEU A 87 3.313 -3.721 -6.694 1.00 0.00 C ATOM 1331 CG LEU A 87 4.734 -3.198 -6.826 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.078 -2.150 -5.761 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.791 -4.285 -6.953 1.00 0.00 C ATOM 0 H LEU A 87 3.893 -6.043 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 87 2.766 -3.450 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.186 -4.522 -7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.636 -2.917 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 87 4.756 -2.682 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.104 -1.811 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.400 -1.302 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.975 -2.591 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.776 -3.826 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.766 -4.922 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.589 -4.887 -7.839 1.00 0.00 H new ATOM 1345 N LEU A 88 0.523 -4.110 -5.915 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.820 -4.514 -6.273 1.00 0.00 C ATOM 1347 C LEU A 88 -1.020 -3.974 -7.688 1.00 0.00 C ATOM 1348 O LEU A 88 -0.696 -2.810 -7.954 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.867 -3.978 -5.274 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.968 -5.043 -5.080 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.546 -5.994 -3.956 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -4.335 -4.464 -4.732 1.00 0.00 C ATOM 0 H LEU A 88 0.641 -3.097 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.951 -5.596 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.393 -3.748 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.302 -3.050 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.073 -5.556 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.317 -6.751 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.607 -6.479 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.413 -5.430 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.054 -5.275 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.265 -3.900 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.665 -3.803 -5.533 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.452 -4.824 -8.619 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.695 -4.450 -10.008 1.00 0.00 C ATOM 1366 C GLU A 89 -2.836 -3.438 -10.063 1.00 0.00 C ATOM 1367 O GLU A 89 -2.651 -2.298 -10.496 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.005 -5.723 -10.819 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.609 -5.489 -12.213 1.00 0.00 C ATOM 1370 CD GLU A 89 -1.782 -4.558 -13.099 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -2.347 -3.586 -13.636 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -0.574 -4.832 -13.314 1.00 0.00 O ATOM 0 H GLU A 89 -1.645 -5.806 -8.424 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.815 -3.978 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.083 -6.294 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.694 -6.341 -10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.719 -6.450 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.610 -5.072 -12.099 1.00 0.00 H new ATOM 1379 N ASP A 90 -4.015 -3.878 -9.630 1.00 0.00 N ATOM 1380 CA ASP A 90 -5.224 -3.075 -9.619 1.00 0.00 C ATOM 1381 C ASP A 90 -5.085 -1.930 -8.626 1.00 0.00 C ATOM 1382 O ASP A 90 -4.264 -1.965 -7.705 1.00 0.00 O ATOM 1383 CB ASP A 90 -6.436 -3.949 -9.275 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.654 -5.042 -10.315 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.437 -6.232 -9.996 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -6.942 -4.726 -11.496 1.00 0.00 O ATOM 0 H ASP A 90 -4.154 -4.822 -9.271 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.377 -2.651 -10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.291 -4.403 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.328 -3.326 -9.209 1.00 0.00 H new ATOM 1391 N GLY A 91 -5.856 -0.871 -8.855 1.00 0.00 N ATOM 1392 CA GLY A 91 -5.860 0.296 -7.995 1.00 0.00 C ATOM 1393 C GLY A 91 -6.580 -0.027 -6.691 1.00 0.00 C ATOM 1394 O GLY A 91 -7.129 -1.117 -6.517 1.00 0.00 O ATOM 0 H GLY A 91 -6.496 -0.803 -9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.837 0.610 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.354 1.128 -8.497 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.593 0.930 -5.764 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.249 0.813 -4.453 1.00 0.00 C ATOM 1400 C ILE A 92 -8.741 0.470 -4.659 1.00 0.00 C ATOM 1401 O ILE A 92 -9.395 -0.168 -3.840 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.931 2.105 -3.669 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.041 2.007 -2.133 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.689 3.304 -4.250 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.435 1.835 -1.520 1.00 0.00 C ATOM 0 H ILE A 92 -6.138 1.832 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.877 -0.009 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.864 2.268 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.427 1.167 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.599 2.908 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.446 4.200 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.399 3.448 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.762 3.118 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.351 1.782 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.060 2.685 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.886 0.916 -1.895 1.00 0.00 H new ATOM 1417 N ASP A 93 -9.280 0.845 -5.816 1.00 0.00 N ATOM 1418 CA ASP A 93 -10.638 0.595 -6.267 1.00 0.00 C ATOM 1419 C ASP A 93 -10.898 -0.922 -6.260 1.00 0.00 C ATOM 1420 O ASP A 93 -11.938 -1.389 -5.799 1.00 0.00 O ATOM 1421 CB ASP A 93 -10.694 1.175 -7.680 1.00 0.00 C ATOM 1422 CG ASP A 93 -11.984 0.888 -8.432 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -12.885 1.763 -8.422 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -12.007 -0.101 -9.206 1.00 0.00 O ATOM 0 H ASP A 93 -8.740 1.366 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.399 1.048 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.556 2.255 -7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.858 0.778 -8.255 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.919 -1.711 -6.716 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.989 -3.162 -6.773 1.00 0.00 C ATOM 1431 C GLY A 94 -10.022 -3.801 -5.383 1.00 0.00 C ATOM 1432 O GLY A 94 -10.581 -4.891 -5.240 1.00 0.00 O ATOM 0 H GLY A 94 -9.035 -1.340 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.880 -3.458 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.129 -3.543 -7.324 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.442 -3.157 -4.359 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.425 -3.663 -2.983 1.00 0.00 C ATOM 1438 C TRP A 95 -10.877 -3.826 -2.527 1.00 0.00 C ATOM 1439 O TRP A 95 -11.322 -4.889 -2.092 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.651 -2.698 -2.068 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.544 -3.123 -0.639 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.460 -2.867 0.321 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.476 -3.866 0.018 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.048 -3.418 1.514 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.848 -4.086 1.377 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.227 -4.366 -0.402 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -7.046 -4.830 2.258 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.393 -5.078 0.483 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.808 -5.321 1.806 1.00 0.00 C ATOM 0 H TRP A 95 -8.967 -2.261 -4.467 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.917 -4.626 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.645 -2.571 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.134 -1.722 -2.105 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.376 -2.314 0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.565 -3.342 2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.904 -4.201 -1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.375 -5.022 3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.433 -5.438 0.145 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.175 -5.885 2.475 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.647 -2.746 -2.664 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.057 -2.691 -2.297 1.00 0.00 C ATOM 1462 C LYS A 96 -13.844 -3.708 -3.113 1.00 0.00 C ATOM 1463 O LYS A 96 -14.656 -4.447 -2.543 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.586 -1.292 -2.601 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.884 -0.170 -1.830 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.045 1.149 -2.590 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.501 1.625 -2.674 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.106 1.943 -1.359 1.00 0.00 N ATOM 0 H LYS A 96 -11.297 -1.866 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.168 -2.918 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.483 -1.102 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.651 -1.262 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.309 -0.080 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.827 -0.405 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.446 1.918 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.650 1.030 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.547 2.511 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.098 0.853 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.058 2.337 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.172 1.076 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.514 2.640 -0.864 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.579 -3.776 -4.423 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.238 -4.687 -5.350 1.00 0.00 C ATOM 1484 C LYS A 97 -14.064 -6.136 -4.918 1.00 0.00 C ATOM 1485 O LYS A 97 -15.014 -6.918 -5.011 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.689 -4.449 -6.766 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.458 -5.197 -7.862 1.00 0.00 C ATOM 1488 CD LYS A 97 -15.898 -4.682 -7.994 1.00 0.00 C ATOM 1489 CE LYS A 97 -16.673 -5.387 -9.105 1.00 0.00 C ATOM 1490 NZ LYS A 97 -16.071 -5.135 -10.427 1.00 0.00 N ATOM 0 H LYS A 97 -12.882 -3.182 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.310 -4.487 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.716 -3.381 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.643 -4.754 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.941 -5.081 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.472 -6.263 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.419 -4.823 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.880 -3.610 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.693 -6.460 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.707 -5.043 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.717 -5.467 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.903 -4.115 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.168 -5.645 -10.500 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.887 -6.499 -4.410 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.587 -7.845 -3.942 1.00 0.00 C ATOM 1506 C ALA A 98 -13.447 -8.241 -2.734 1.00 0.00 C ATOM 1507 O ALA A 98 -13.537 -9.424 -2.412 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.111 -7.907 -3.565 1.00 0.00 C ATOM 0 H ALA A 98 -12.104 -5.853 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.814 -8.548 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.867 -8.909 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.502 -7.672 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.907 -7.184 -2.775 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.103 -7.272 -2.092 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.956 -7.473 -0.929 1.00 0.00 C ATOM 1516 C GLY A 99 -14.214 -7.184 0.368 1.00 0.00 C ATOM 1517 O GLY A 99 -14.724 -7.499 1.439 1.00 0.00 O ATOM 0 H GLY A 99 -14.050 -6.295 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.829 -6.825 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.322 -8.500 -0.918 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.008 -6.621 0.284 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.191 -6.294 1.443 1.00 0.00 C ATOM 1523 C LEU A 100 -12.731 -5.013 2.093 1.00 0.00 C ATOM 1524 O LEU A 100 -13.391 -4.219 1.410 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.728 -6.166 0.997 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.189 -7.435 0.311 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.747 -7.224 -0.151 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.279 -8.643 1.240 1.00 0.00 C ATOM 0 H LEU A 100 -12.570 -6.378 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.236 -7.081 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.636 -5.324 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.109 -5.939 1.865 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.810 -7.633 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.383 -8.131 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.709 -6.396 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.119 -6.994 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.892 -9.525 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.690 -8.456 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.320 -8.812 1.517 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.439 -4.771 3.382 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.936 -3.600 4.084 1.00 0.00 C ATOM 1542 C PRO A 101 -12.137 -2.337 3.778 1.00 0.00 C ATOM 1543 O PRO A 101 -10.978 -2.378 3.352 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.814 -3.962 5.570 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.570 -4.847 5.599 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.676 -5.623 4.288 1.00 0.00 C ATOM 0 HA PRO A 101 -13.956 -3.369 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.695 -3.076 6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.696 -4.491 5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.655 -4.257 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.566 -5.511 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.688 -5.840 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.176 -6.580 4.439 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.766 -1.196 4.042 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.213 0.135 3.878 1.00 0.00 C ATOM 1556 C VAL A 102 -12.734 0.978 5.029 1.00 0.00 C ATOM 1557 O VAL A 102 -13.829 0.763 5.552 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.557 0.806 2.539 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.561 0.406 1.449 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.994 0.552 2.091 1.00 0.00 C ATOM 0 H VAL A 102 -13.723 -1.179 4.394 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.126 0.050 3.879 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.474 1.880 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.830 0.896 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.557 0.712 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.586 -0.675 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.172 1.053 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.154 -0.520 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.683 0.941 2.841 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.917 1.945 5.403 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.146 2.894 6.466 1.00 0.00 C ATOM 1572 C ALA A 103 -12.889 4.102 5.895 1.00 0.00 C ATOM 1573 O ALA A 103 -12.365 5.216 5.855 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.795 3.253 7.082 1.00 0.00 C ATOM 0 H ALA A 103 -11.020 2.094 4.940 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.771 2.482 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.942 3.970 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.325 2.353 7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.152 3.692 6.319 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.055 3.855 5.303 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.903 4.909 4.756 1.00 0.00 C ATOM 1582 C VAL A 104 -15.833 5.324 5.903 1.00 0.00 C ATOM 1583 O VAL A 104 -15.965 4.617 6.910 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.716 4.435 3.530 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -14.862 4.136 2.296 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.536 3.190 3.849 1.00 0.00 C ATOM 0 H VAL A 104 -14.438 2.917 5.189 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.298 5.741 4.395 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.368 5.277 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.505 3.809 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.326 5.037 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.146 3.349 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.095 2.886 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.869 2.383 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.231 3.410 4.659 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.501 6.456 5.746 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.438 6.986 6.732 1.00 0.00 C ATOM 1598 C ASN A 105 -18.857 6.597 6.305 1.00 0.00 C ATOM 1599 O ASN A 105 -19.041 5.840 5.344 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.214 8.494 6.932 1.00 0.00 C ATOM 1601 CG ASN A 105 -15.957 8.748 7.757 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -14.860 8.874 7.221 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -16.061 8.756 9.076 1.00 0.00 N ATOM 0 H ASN A 105 -16.408 7.044 4.918 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.272 6.551 7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.124 8.985 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.078 8.932 7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.227 8.867 9.653 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.975 8.651 9.516 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.884 7.082 7.006 1.00 0.00 N ATOM 1611 CA LYS A 106 -21.283 6.770 6.699 1.00 0.00 C ATOM 1612 C LYS A 106 -22.082 8.010 6.323 1.00 0.00 C ATOM 1613 O LYS A 106 -23.057 7.884 5.579 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.890 6.019 7.884 1.00 0.00 C ATOM 1615 CG LYS A 106 -23.200 5.314 7.526 1.00 0.00 C ATOM 1616 CD LYS A 106 -23.700 4.498 8.716 1.00 0.00 C ATOM 1617 CE LYS A 106 -25.025 3.828 8.363 1.00 0.00 C ATOM 1618 NZ LYS A 106 -25.542 3.024 9.485 1.00 0.00 N ATOM 0 H LYS A 106 -19.769 7.705 7.806 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.322 6.130 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -21.173 5.283 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -22.070 6.719 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -23.951 6.050 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -23.048 4.662 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -22.961 3.744 8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -23.829 5.145 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -25.757 4.589 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -24.890 3.190 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -26.443 2.583 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -24.854 2.283 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -25.694 3.638 10.311 1.00 0.00 H new ATOM 1632 N SER A 107 -21.721 9.183 6.835 1.00 0.00 N ATOM 1633 CA SER A 107 -22.386 10.437 6.525 1.00 0.00 C ATOM 1634 C SER A 107 -21.892 10.874 5.130 1.00 0.00 C ATOM 1635 O SER A 107 -21.511 10.034 4.306 1.00 0.00 O ATOM 1636 CB SER A 107 -22.093 11.419 7.668 1.00 0.00 C ATOM 1637 OG SER A 107 -22.902 12.580 7.626 1.00 0.00 O ATOM 0 H SER A 107 -20.944 9.287 7.488 1.00 0.00 H new ATOM 0 HA SER A 107 -23.472 10.370 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.244 10.913 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 107 -21.044 11.713 7.626 1.00 0.00 H new ATOM 0 HG SER A 107 -22.672 13.166 8.377 1.00 0.00 H new ATOM 1643 N GLN A 108 -21.934 12.168 4.820 1.00 0.00 N ATOM 1644 CA GLN A 108 -21.518 12.739 3.551 1.00 0.00 C ATOM 1645 C GLN A 108 -20.676 13.976 3.818 1.00 0.00 C ATOM 1646 O GLN A 108 -20.857 14.602 4.889 1.00 0.00 O ATOM 1647 CB GLN A 108 -22.791 13.013 2.728 1.00 0.00 C ATOM 1648 CG GLN A 108 -22.607 13.736 1.391 1.00 0.00 C ATOM 1649 CD GLN A 108 -21.803 12.929 0.374 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -22.357 12.385 -0.580 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -20.492 12.838 0.528 1.00 0.00 N ATOM 0 H GLN A 108 -22.273 12.872 5.476 1.00 0.00 H new ATOM 0 HA GLN A 108 -20.888 12.065 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -23.282 12.059 2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -23.472 13.602 3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -23.587 13.964 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -22.106 14.688 1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -20.039 13.292 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -19.934 12.314 -0.147 1.00 0.00 H new TER 1660 GLN A 108