USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 37 ALY H2 : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD NoAdj-H: A 37 ALY H : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0908 (180deg=-0.552) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.193 (180deg=-0.212) USER MOD Single : A 2 SER OG : rot 180:sc= 0.094 USER MOD Single : A 4 GLN : amide:sc= -1.86! C(o=-1.9!,f=-1.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 5:sc= 1.28 USER MOD Single : A 10 THR OG1 : rot -38:sc= 0.307 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 16:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0.0335! (180deg=-0.132!) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.2 (180deg=0.613) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.432 F(o=-2.7!,f=-0.43) USER MOD Single : A 31 SER OG : rot -45:sc= 0.191 USER MOD Single : A 32 SER OG : rot 126:sc= 1.15 USER MOD Single : A 35 HIS : no HD1:sc= -0.207 K(o=-0.21,f=-5.9!) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.924) USER MOD Single : A 40 MET CE :methyl -149:sc= -0.486 (180deg=-1.44!) USER MOD Single : A 41 THR OG1 : rot 34:sc= 0.304 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 43 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 0.695 (180deg=0.297) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0709 (180deg=-0.401) USER MOD Single : A 48 LYS NZ :NH3+ -124:sc= -1.74 (180deg=-2.5!) USER MOD Single : A 50 SER OG : rot -6:sc= -0.544! USER MOD Single : A 51 TYR OH : rot 132:sc= 0.0129 USER MOD Single : A 52 CYS SG : rot -5:sc= 0.038 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.149 F(o=-2.5,f=-0.15) USER MOD Single : A 59 MET CE :methyl -171:sc= -5.98! (180deg=-6.38!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.136 F(o=-2.6!,f=-0.14) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc=-0.00374 F(o=-2.1!,f=-0.0037) USER MOD Single : A 74 ASN : amide:sc= 1.22 K(o=1.2,f=-0.22) USER MOD Single : A 75 HIS : no HE2:sc= 0.786 K(o=0.79,f=-3.2!) USER MOD Single : A 76 THR OG1 : rot -150:sc= -0.202 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 153:sc= -0.654 (180deg=-3.75!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.92) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.466 23.211 58.063 1.00 0.00 N ATOM 2 CA MET A 1 -6.891 21.790 58.052 1.00 0.00 C ATOM 3 C MET A 1 -7.852 21.540 56.888 1.00 0.00 C ATOM 4 O MET A 1 -8.430 20.458 56.745 1.00 0.00 O ATOM 5 CB MET A 1 -7.563 21.433 59.383 1.00 0.00 C ATOM 6 CG MET A 1 -7.758 19.942 59.603 1.00 0.00 C ATOM 7 SD MET A 1 -8.735 19.580 61.073 1.00 0.00 S ATOM 8 CE MET A 1 -7.753 20.377 62.341 1.00 0.00 C ATOM 0 H1 MET A 1 -5.896 23.396 58.913 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.898 23.410 57.215 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.306 23.824 58.069 1.00 0.00 H new ATOM 0 HA MET A 1 -6.013 21.157 57.923 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.962 21.834 60.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.534 21.926 59.430 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.248 19.511 58.730 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.784 19.461 59.691 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.046 19.998 63.320 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.698 20.164 62.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.917 21.454 62.305 1.00 0.00 H new ATOM 18 N SER A 2 -8.007 22.542 56.050 1.00 0.00 N ATOM 19 CA SER A 2 -8.883 22.463 54.911 1.00 0.00 C ATOM 20 C SER A 2 -8.044 22.412 53.637 1.00 0.00 C ATOM 21 O SER A 2 -6.808 22.335 53.695 1.00 0.00 O ATOM 22 CB SER A 2 -9.833 23.671 54.893 1.00 0.00 C ATOM 23 OG SER A 2 -10.852 23.523 53.912 1.00 0.00 O ATOM 0 H SER A 2 -7.525 23.436 56.144 1.00 0.00 H new ATOM 0 HA SER A 2 -9.488 21.559 54.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.289 23.791 55.876 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.264 24.579 54.693 1.00 0.00 H new ATOM 0 HG SER A 2 -11.439 24.308 53.929 1.00 0.00 H new ATOM 29 N ASP A 3 -8.690 22.451 52.494 1.00 0.00 N ATOM 30 CA ASP A 3 -7.976 22.412 51.238 1.00 0.00 C ATOM 31 C ASP A 3 -7.581 23.815 50.819 1.00 0.00 C ATOM 32 O ASP A 3 -8.396 24.744 50.852 1.00 0.00 O ATOM 33 CB ASP A 3 -8.811 21.739 50.148 1.00 0.00 C ATOM 34 CG ASP A 3 -8.015 21.503 48.878 1.00 0.00 C ATOM 35 OD1 ASP A 3 -7.006 20.765 48.937 1.00 0.00 O ATOM 36 OD2 ASP A 3 -8.392 22.043 47.825 1.00 0.00 O ATOM 0 H ASP A 3 -9.705 22.509 52.408 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.072 21.819 51.377 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.190 20.787 50.519 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.677 22.360 49.921 1.00 0.00 H new ATOM 41 N GLN A 4 -6.326 23.982 50.458 1.00 0.00 N ATOM 42 CA GLN A 4 -5.802 25.273 50.035 1.00 0.00 C ATOM 43 C GLN A 4 -6.275 25.611 48.623 1.00 0.00 C ATOM 44 O GLN A 4 -7.173 24.961 48.081 1.00 0.00 O ATOM 45 CB GLN A 4 -4.254 25.288 50.111 1.00 0.00 C ATOM 46 CG GLN A 4 -3.526 24.434 49.055 1.00 0.00 C ATOM 47 CD GLN A 4 -3.886 22.961 49.110 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.276 22.186 49.843 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.867 22.567 48.326 1.00 0.00 N ATOM 0 H GLN A 4 -5.637 23.230 50.448 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.184 26.035 50.715 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.914 26.319 50.016 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.954 24.943 51.101 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.761 24.820 48.063 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.450 24.542 49.192 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.348 23.243 47.732 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.146 21.586 48.312 1.00 0.00 H new ATOM 58 N GLU A 5 -5.685 26.635 48.035 1.00 0.00 N ATOM 59 CA GLU A 5 -6.022 27.068 46.682 1.00 0.00 C ATOM 60 C GLU A 5 -5.850 25.941 45.660 1.00 0.00 C ATOM 61 O GLU A 5 -5.300 24.869 45.965 1.00 0.00 O ATOM 62 CB GLU A 5 -5.148 28.245 46.288 1.00 0.00 C ATOM 63 CG GLU A 5 -3.664 27.962 46.418 1.00 0.00 C ATOM 64 CD GLU A 5 -2.829 29.177 46.150 1.00 0.00 C ATOM 65 OE1 GLU A 5 -2.853 30.102 46.978 1.00 0.00 O ATOM 66 OE2 GLU A 5 -2.137 29.211 45.112 1.00 0.00 O ATOM 0 H GLU A 5 -4.957 27.194 48.479 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.072 27.362 46.682 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.369 28.523 45.257 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.403 29.102 46.911 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.453 27.593 47.422 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.385 27.171 45.722 1.00 0.00 H new ATOM 73 N ALA A 6 -6.315 26.189 44.447 1.00 0.00 N ATOM 74 CA ALA A 6 -6.218 25.221 43.372 1.00 0.00 C ATOM 75 C ALA A 6 -4.764 24.904 43.052 1.00 0.00 C ATOM 76 O ALA A 6 -3.861 25.707 43.316 1.00 0.00 O ATOM 77 CB ALA A 6 -6.933 25.737 42.134 1.00 0.00 C ATOM 0 H ALA A 6 -6.768 27.064 44.182 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.700 24.300 43.699 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.853 25.001 41.334 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.984 25.908 42.366 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.475 26.673 41.813 1.00 0.00 H new ATOM 83 N LYS A 7 -4.538 23.733 42.492 1.00 0.00 N ATOM 84 CA LYS A 7 -3.201 23.300 42.132 1.00 0.00 C ATOM 85 C LYS A 7 -2.635 24.167 41.013 1.00 0.00 C ATOM 86 O LYS A 7 -3.386 24.719 40.203 1.00 0.00 O ATOM 87 CB LYS A 7 -3.221 21.839 41.675 1.00 0.00 C ATOM 88 CG LYS A 7 -4.088 21.596 40.445 1.00 0.00 C ATOM 89 CD LYS A 7 -3.800 20.248 39.802 1.00 0.00 C ATOM 90 CE LYS A 7 -2.396 20.200 39.205 1.00 0.00 C ATOM 91 NZ LYS A 7 -2.132 18.912 38.526 1.00 0.00 N ATOM 0 H LYS A 7 -5.270 23.057 42.274 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.568 23.398 43.014 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.201 21.521 41.459 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.583 21.216 42.493 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.140 21.646 40.727 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.915 22.389 39.717 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.907 19.459 40.546 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.535 20.052 39.021 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.275 21.017 38.494 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.660 20.353 39.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.169 18.917 38.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.223 18.134 39.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.819 18.778 37.756 1.00 0.00 H new ATOM 105 N PRO A 8 -1.304 24.307 40.956 1.00 0.00 N ATOM 106 CA PRO A 8 -0.641 25.052 39.892 1.00 0.00 C ATOM 107 C PRO A 8 -0.663 24.269 38.574 1.00 0.00 C ATOM 108 O PRO A 8 -1.335 23.240 38.452 1.00 0.00 O ATOM 109 CB PRO A 8 0.795 25.198 40.402 1.00 0.00 C ATOM 110 CG PRO A 8 0.995 24.027 41.298 1.00 0.00 C ATOM 111 CD PRO A 8 -0.338 23.763 41.936 1.00 0.00 C ATOM 0 HA PRO A 8 -1.124 26.006 39.683 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.510 25.195 39.579 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.932 26.136 40.939 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.337 23.159 40.735 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.754 24.237 42.052 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.497 22.698 42.108 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.425 24.258 42.903 1.00 0.00 H new ATOM 119 N SER A 9 0.079 24.743 37.599 1.00 0.00 N ATOM 120 CA SER A 9 0.139 24.106 36.304 1.00 0.00 C ATOM 121 C SER A 9 1.330 24.660 35.527 1.00 0.00 C ATOM 122 O SER A 9 1.835 25.748 35.834 1.00 0.00 O ATOM 123 CB SER A 9 -1.176 24.348 35.535 1.00 0.00 C ATOM 124 OG SER A 9 -1.315 23.464 34.427 1.00 0.00 O ATOM 0 H SER A 9 0.657 25.580 37.681 1.00 0.00 H new ATOM 0 HA SER A 9 0.266 23.031 36.428 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.021 24.218 36.211 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.206 25.379 35.183 1.00 0.00 H new ATOM 0 HG SER A 9 -0.571 22.827 34.422 1.00 0.00 H new ATOM 130 N THR A 10 1.777 23.927 34.531 1.00 0.00 N ATOM 131 CA THR A 10 2.919 24.333 33.722 1.00 0.00 C ATOM 132 C THR A 10 2.982 23.503 32.440 1.00 0.00 C ATOM 133 O THR A 10 3.797 23.745 31.546 1.00 0.00 O ATOM 134 CB THR A 10 4.252 24.198 34.511 1.00 0.00 C ATOM 135 OG1 THR A 10 5.347 24.741 33.750 1.00 0.00 O ATOM 136 CG2 THR A 10 4.536 22.740 34.842 1.00 0.00 C ATOM 0 H THR A 10 1.365 23.035 34.255 1.00 0.00 H new ATOM 0 HA THR A 10 2.786 25.383 33.463 1.00 0.00 H new ATOM 0 HB THR A 10 4.150 24.759 35.440 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.230 24.518 32.803 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.473 22.668 35.394 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.725 22.340 35.451 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.614 22.166 33.919 1.00 0.00 H new ATOM 144 N GLU A 11 2.106 22.537 32.344 1.00 0.00 N ATOM 145 CA GLU A 11 2.044 21.666 31.206 1.00 0.00 C ATOM 146 C GLU A 11 0.832 21.996 30.360 1.00 0.00 C ATOM 147 O GLU A 11 -0.103 22.664 30.819 1.00 0.00 O ATOM 148 CB GLU A 11 1.996 20.194 31.648 1.00 0.00 C ATOM 149 CG GLU A 11 0.800 19.822 32.545 1.00 0.00 C ATOM 150 CD GLU A 11 0.873 20.412 33.950 1.00 0.00 C ATOM 151 OE1 GLU A 11 0.443 21.575 34.138 1.00 0.00 O ATOM 152 OE2 GLU A 11 1.357 19.721 34.864 1.00 0.00 O ATOM 0 H GLU A 11 1.410 22.333 33.062 1.00 0.00 H new ATOM 0 HA GLU A 11 2.944 21.817 30.610 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.974 19.564 30.759 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.917 19.960 32.181 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.119 20.161 32.067 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.739 18.736 32.620 1.00 0.00 H new ATOM 159 N ASP A 12 0.842 21.543 29.127 1.00 0.00 N ATOM 160 CA ASP A 12 -0.273 21.763 28.234 1.00 0.00 C ATOM 161 C ASP A 12 -1.211 20.575 28.304 1.00 0.00 C ATOM 162 O ASP A 12 -1.048 19.705 29.170 1.00 0.00 O ATOM 163 CB ASP A 12 0.212 21.984 26.796 1.00 0.00 C ATOM 164 CG ASP A 12 0.692 20.714 26.116 1.00 0.00 C ATOM 165 OD1 ASP A 12 1.808 20.249 26.426 1.00 0.00 O ATOM 166 OD2 ASP A 12 -0.041 20.189 25.253 1.00 0.00 O ATOM 0 H ASP A 12 1.614 21.017 28.718 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.805 22.662 28.545 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.599 22.416 26.210 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.023 22.712 26.803 1.00 0.00 H new ATOM 171 N LEU A 13 -2.200 20.530 27.426 1.00 0.00 N ATOM 172 CA LEU A 13 -3.153 19.437 27.398 1.00 0.00 C ATOM 173 C LEU A 13 -2.454 18.083 27.282 1.00 0.00 C ATOM 174 O LEU A 13 -2.401 17.319 28.247 1.00 0.00 O ATOM 175 CB LEU A 13 -4.137 19.623 26.240 1.00 0.00 C ATOM 176 CG LEU A 13 -4.960 20.914 26.269 1.00 0.00 C ATOM 177 CD1 LEU A 13 -5.762 21.062 24.989 1.00 0.00 C ATOM 178 CD2 LEU A 13 -5.881 20.933 27.479 1.00 0.00 C ATOM 0 H LEU A 13 -2.363 21.246 26.718 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.700 19.450 28.341 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.579 19.591 25.304 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.823 18.776 26.231 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.274 21.757 26.346 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.341 21.985 25.027 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.084 21.094 24.136 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.438 20.214 24.883 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.458 21.858 27.483 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.560 20.082 27.433 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.286 20.873 28.390 1.00 0.00 H new ATOM 190 N GLY A 14 -1.918 17.785 26.103 1.00 0.00 N ATOM 191 CA GLY A 14 -1.251 16.510 25.892 1.00 0.00 C ATOM 192 C GLY A 14 -2.225 15.366 26.026 1.00 0.00 C ATOM 193 O GLY A 14 -1.882 14.281 26.502 1.00 0.00 O ATOM 0 H GLY A 14 -1.933 18.401 25.290 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.796 16.492 24.901 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.444 16.393 26.615 1.00 0.00 H new ATOM 197 N ASP A 15 -3.450 15.609 25.597 1.00 0.00 N ATOM 198 CA ASP A 15 -4.537 14.650 25.728 1.00 0.00 C ATOM 199 C ASP A 15 -5.175 14.379 24.373 1.00 0.00 C ATOM 200 O ASP A 15 -5.734 13.309 24.127 1.00 0.00 O ATOM 201 CB ASP A 15 -5.593 15.222 26.683 1.00 0.00 C ATOM 202 CG ASP A 15 -6.855 14.388 26.753 1.00 0.00 C ATOM 203 OD1 ASP A 15 -6.844 13.334 27.417 1.00 0.00 O ATOM 204 OD2 ASP A 15 -7.873 14.797 26.158 1.00 0.00 O ATOM 0 H ASP A 15 -3.723 16.482 25.145 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.141 13.713 26.121 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.164 15.302 27.682 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.851 16.232 26.365 1.00 0.00 H new ATOM 209 N LYS A 16 -5.078 15.348 23.486 1.00 0.00 N ATOM 210 CA LYS A 16 -5.692 15.261 22.184 1.00 0.00 C ATOM 211 C LYS A 16 -4.744 14.600 21.196 1.00 0.00 C ATOM 212 O LYS A 16 -3.523 14.691 21.331 1.00 0.00 O ATOM 213 CB LYS A 16 -6.049 16.668 21.697 1.00 0.00 C ATOM 214 CG LYS A 16 -7.289 16.745 20.817 1.00 0.00 C ATOM 215 CD LYS A 16 -8.571 16.867 21.646 1.00 0.00 C ATOM 216 CE LYS A 16 -8.937 15.575 22.361 1.00 0.00 C ATOM 217 NZ LYS A 16 -10.257 15.672 23.031 1.00 0.00 N ATOM 0 H LYS A 16 -4.570 16.217 23.651 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.597 14.657 22.256 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.196 17.311 22.565 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.202 17.071 21.142 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.207 17.601 20.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.345 15.855 20.190 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.448 17.662 22.382 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.393 17.161 20.994 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.953 14.754 21.644 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.171 15.338 23.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.472 14.773 23.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.234 16.439 23.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.992 15.873 22.323 1.00 0.00 H new ATOM 231 N LYS A 17 -5.302 13.923 20.209 1.00 0.00 N ATOM 232 CA LYS A 17 -4.501 13.289 19.175 1.00 0.00 C ATOM 233 C LYS A 17 -3.993 14.326 18.180 1.00 0.00 C ATOM 234 O LYS A 17 -4.405 15.490 18.212 1.00 0.00 O ATOM 235 CB LYS A 17 -5.307 12.211 18.446 1.00 0.00 C ATOM 236 CG LYS A 17 -6.705 12.655 18.020 1.00 0.00 C ATOM 237 CD LYS A 17 -7.319 11.691 17.012 1.00 0.00 C ATOM 238 CE LYS A 17 -7.220 10.242 17.468 1.00 0.00 C ATOM 239 NZ LYS A 17 -8.058 9.970 18.663 1.00 0.00 N ATOM 0 H LYS A 17 -6.308 13.797 20.101 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.645 12.815 19.655 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.753 11.895 17.562 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.397 11.339 19.094 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.348 12.723 18.897 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.653 13.653 17.585 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.366 11.950 16.855 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.816 11.803 16.052 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.527 9.585 16.654 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.180 10.005 17.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.959 8.972 18.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.749 10.577 19.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.054 10.171 18.441 1.00 0.00 H new ATOM 253 N GLU A 18 -3.110 13.909 17.290 1.00 0.00 N ATOM 254 CA GLU A 18 -2.543 14.809 16.299 1.00 0.00 C ATOM 255 C GLU A 18 -3.505 14.985 15.132 1.00 0.00 C ATOM 256 O GLU A 18 -3.675 16.079 14.601 1.00 0.00 O ATOM 257 CB GLU A 18 -1.179 14.293 15.791 1.00 0.00 C ATOM 258 CG GLU A 18 -1.231 12.948 15.056 1.00 0.00 C ATOM 259 CD GLU A 18 -1.355 11.760 15.981 1.00 0.00 C ATOM 260 OE1 GLU A 18 -2.487 11.428 16.377 1.00 0.00 O ATOM 261 OE2 GLU A 18 -0.318 11.141 16.296 1.00 0.00 O ATOM 0 H GLU A 18 -2.769 12.950 17.233 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.383 15.776 16.777 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.751 15.040 15.122 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.503 14.200 16.641 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.076 12.952 14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.329 12.837 14.454 1.00 0.00 H new ATOM 268 N GLY A 19 -4.135 13.898 14.739 1.00 0.00 N ATOM 269 CA GLY A 19 -5.070 13.932 13.649 1.00 0.00 C ATOM 270 C GLY A 19 -5.933 12.706 13.633 1.00 0.00 C ATOM 271 O GLY A 19 -5.779 11.824 14.472 1.00 0.00 O ATOM 0 H GLY A 19 -4.012 12.979 15.164 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.697 14.820 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.530 14.011 12.706 1.00 0.00 H new ATOM 275 N GLU A 20 -6.810 12.616 12.663 1.00 0.00 N ATOM 276 CA GLU A 20 -7.724 11.501 12.582 1.00 0.00 C ATOM 277 C GLU A 20 -7.120 10.377 11.791 1.00 0.00 C ATOM 278 O GLU A 20 -6.322 10.597 10.872 1.00 0.00 O ATOM 279 CB GLU A 20 -9.057 11.917 11.970 1.00 0.00 C ATOM 280 CG GLU A 20 -9.920 12.740 12.901 1.00 0.00 C ATOM 281 CD GLU A 20 -11.256 13.084 12.295 1.00 0.00 C ATOM 282 OE1 GLU A 20 -12.135 12.197 12.231 1.00 0.00 O ATOM 283 OE2 GLU A 20 -11.444 14.246 11.882 1.00 0.00 O ATOM 0 H GLU A 20 -6.911 13.303 11.916 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.912 11.156 13.599 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.868 12.490 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.606 11.023 11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.076 12.189 13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.395 13.659 13.161 1.00 0.00 H new ATOM 290 N TYR A 21 -7.468 9.172 12.156 1.00 0.00 N ATOM 291 CA TYR A 21 -6.978 8.014 11.469 1.00 0.00 C ATOM 292 C TYR A 21 -8.078 7.452 10.610 1.00 0.00 C ATOM 293 O TYR A 21 -9.230 7.342 11.046 1.00 0.00 O ATOM 294 CB TYR A 21 -6.492 6.952 12.452 1.00 0.00 C ATOM 295 CG TYR A 21 -5.598 7.478 13.567 1.00 0.00 C ATOM 296 CD1 TYR A 21 -4.700 8.522 13.348 1.00 0.00 C ATOM 297 CD2 TYR A 21 -5.664 6.932 14.841 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.897 8.996 14.366 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.863 7.404 15.864 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.982 8.433 15.620 1.00 0.00 C ATOM 301 OH TYR A 21 -3.178 8.900 16.639 1.00 0.00 O ATOM 0 H TYR A 21 -8.096 8.969 12.934 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.131 8.307 10.849 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.359 6.466 12.899 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.948 6.187 11.899 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.632 8.967 12.366 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.353 6.124 15.037 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.205 9.804 14.180 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.928 6.968 16.850 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.805 9.771 16.388 1.00 0.00 H new ATOM 311 N ILE A 22 -7.749 7.103 9.401 1.00 0.00 N ATOM 312 CA ILE A 22 -8.722 6.592 8.483 1.00 0.00 C ATOM 313 C ILE A 22 -8.399 5.171 8.084 1.00 0.00 C ATOM 314 O ILE A 22 -7.238 4.767 8.048 1.00 0.00 O ATOM 315 CB ILE A 22 -8.808 7.448 7.215 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.429 7.605 6.593 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.421 8.807 7.525 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.461 7.594 5.099 1.00 0.00 C ATOM 0 H ILE A 22 -6.803 7.164 9.025 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.681 6.621 8.999 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.455 6.944 6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.986 8.540 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.784 6.799 6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.473 9.400 6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.425 8.670 7.927 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.804 9.325 8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.448 7.710 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.876 6.648 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.082 8.416 4.742 1.00 0.00 H new ATOM 330 N LYS A 23 -9.416 4.412 7.780 1.00 0.00 N ATOM 331 CA LYS A 23 -9.233 3.045 7.347 1.00 0.00 C ATOM 332 C LYS A 23 -9.364 2.951 5.859 1.00 0.00 C ATOM 333 O LYS A 23 -10.054 3.728 5.255 1.00 0.00 O ATOM 334 CB LYS A 23 -10.200 2.086 8.057 1.00 0.00 C ATOM 335 CG LYS A 23 -11.580 2.656 8.361 1.00 0.00 C ATOM 336 CD LYS A 23 -12.482 2.773 7.135 1.00 0.00 C ATOM 337 CE LYS A 23 -13.906 3.028 7.586 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.836 3.384 6.485 1.00 0.00 N ATOM 0 H LYS A 23 -10.389 4.716 7.823 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.225 2.736 7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.321 1.196 7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.744 1.765 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.069 2.023 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.465 3.642 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.140 3.585 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.433 1.858 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.281 2.137 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.904 3.833 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.762 3.642 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.451 4.190 5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.947 2.570 5.848 1.00 0.00 H new ATOM 352 N LEU A 24 -8.659 2.026 5.268 1.00 0.00 N ATOM 353 CA LEU A 24 -8.683 1.828 3.831 1.00 0.00 C ATOM 354 C LEU A 24 -8.509 0.349 3.509 1.00 0.00 C ATOM 355 O LEU A 24 -8.365 -0.490 4.417 1.00 0.00 O ATOM 356 CB LEU A 24 -7.582 2.643 3.120 1.00 0.00 C ATOM 357 CG LEU A 24 -7.436 4.106 3.532 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.514 4.236 4.735 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.922 4.932 2.375 1.00 0.00 C ATOM 0 H LEU A 24 -8.046 1.381 5.766 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.649 2.178 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.627 2.145 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.773 2.609 2.047 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.419 4.483 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.424 5.286 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.927 3.674 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.530 3.841 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.824 5.972 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.949 4.553 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.622 4.867 1.542 1.00 0.00 H new ATOM 371 N LYS A 25 -8.489 0.029 2.226 1.00 0.00 N ATOM 372 CA LYS A 25 -8.374 -1.342 1.771 1.00 0.00 C ATOM 373 C LYS A 25 -7.679 -1.372 0.416 1.00 0.00 C ATOM 374 O LYS A 25 -7.815 -0.451 -0.384 1.00 0.00 O ATOM 375 CB LYS A 25 -9.770 -1.998 1.696 1.00 0.00 C ATOM 376 CG LYS A 25 -9.772 -3.446 1.204 1.00 0.00 C ATOM 377 CD LYS A 25 -9.947 -3.537 -0.301 1.00 0.00 C ATOM 378 CE LYS A 25 -11.364 -3.195 -0.713 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.332 -4.228 -0.263 1.00 0.00 N ATOM 0 H LYS A 25 -8.552 0.714 1.473 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.775 -1.912 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.225 -1.965 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.400 -1.403 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.836 -3.927 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.575 -3.995 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.250 -2.858 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.701 -4.544 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.642 -2.228 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.414 -3.097 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.227 -4.113 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.943 -5.174 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.505 -4.121 0.757 1.00 0.00 H new ATOM 393 N VAL A 26 -6.926 -2.424 0.148 1.00 0.00 N ATOM 394 CA VAL A 26 -6.218 -2.532 -1.134 1.00 0.00 C ATOM 395 C VAL A 26 -6.328 -3.940 -1.675 1.00 0.00 C ATOM 396 O VAL A 26 -6.307 -4.906 -0.917 1.00 0.00 O ATOM 397 CB VAL A 26 -4.714 -2.113 -1.051 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.510 -0.941 -0.113 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.830 -3.272 -0.663 1.00 0.00 C ATOM 0 H VAL A 26 -6.784 -3.209 0.784 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.703 -1.829 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.421 -1.794 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.452 -0.679 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.085 -0.086 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.846 -1.213 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.793 -2.939 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.134 -3.650 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.923 -4.065 -1.405 1.00 0.00 H new ATOM 409 N ILE A 27 -6.474 -4.058 -2.978 1.00 0.00 N ATOM 410 CA ILE A 27 -6.605 -5.352 -3.623 1.00 0.00 C ATOM 411 C ILE A 27 -5.494 -5.535 -4.641 1.00 0.00 C ATOM 412 O ILE A 27 -5.115 -4.594 -5.338 1.00 0.00 O ATOM 413 CB ILE A 27 -7.971 -5.480 -4.331 1.00 0.00 C ATOM 414 CG1 ILE A 27 -9.090 -5.176 -3.344 1.00 0.00 C ATOM 415 CG2 ILE A 27 -8.145 -6.882 -4.911 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.416 -4.874 -3.998 1.00 0.00 C ATOM 0 H ILE A 27 -6.505 -3.265 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.535 -6.123 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.012 -4.763 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.212 -6.027 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.797 -4.325 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.113 -6.953 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.353 -7.078 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -8.093 -7.617 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.162 -4.668 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.312 -4.004 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.733 -5.732 -4.591 1.00 0.00 H new ATOM 428 N GLY A 28 -4.962 -6.733 -4.731 1.00 0.00 N ATOM 429 CA GLY A 28 -3.896 -6.974 -5.665 1.00 0.00 C ATOM 430 C GLY A 28 -4.204 -8.087 -6.629 1.00 0.00 C ATOM 431 O GLY A 28 -5.240 -8.747 -6.523 1.00 0.00 O ATOM 0 H GLY A 28 -5.247 -7.541 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.696 -6.060 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.986 -7.217 -5.116 1.00 0.00 H new ATOM 435 N GLN A 29 -3.282 -8.324 -7.560 1.00 0.00 N ATOM 436 CA GLN A 29 -3.421 -9.382 -8.572 1.00 0.00 C ATOM 437 C GLN A 29 -3.446 -10.756 -7.906 1.00 0.00 C ATOM 438 O GLN A 29 -3.743 -11.771 -8.529 1.00 0.00 O ATOM 439 CB GLN A 29 -2.249 -9.314 -9.580 1.00 0.00 C ATOM 440 CG GLN A 29 -1.005 -10.123 -9.174 1.00 0.00 C ATOM 441 CD GLN A 29 -0.343 -9.652 -7.879 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.360 -8.357 -7.625 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 0.202 -10.455 -7.125 1.00 0.00 N flip ATOM 0 H GLN A 29 -2.416 -7.791 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.360 -9.229 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.599 -9.672 -10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.961 -8.271 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.287 -11.170 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.274 -10.073 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.198 -11.450 -7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.659 -10.127 -6.274 1.00 0.00 H new ATOM 452 N ASP A 30 -3.145 -10.769 -6.622 1.00 0.00 N ATOM 453 CA ASP A 30 -3.086 -11.980 -5.839 1.00 0.00 C ATOM 454 C ASP A 30 -4.491 -12.379 -5.394 1.00 0.00 C ATOM 455 O ASP A 30 -4.688 -13.411 -4.757 1.00 0.00 O ATOM 456 CB ASP A 30 -2.186 -11.734 -4.615 1.00 0.00 C ATOM 457 CG ASP A 30 -1.867 -12.998 -3.835 1.00 0.00 C ATOM 458 OD1 ASP A 30 -0.947 -13.728 -4.240 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.528 -13.259 -2.806 1.00 0.00 O ATOM 0 H ASP A 30 -2.932 -9.925 -6.090 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.672 -12.791 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.254 -11.275 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.675 -11.021 -3.952 1.00 0.00 H new ATOM 464 N SER A 31 -5.484 -11.538 -5.744 1.00 0.00 N ATOM 465 CA SER A 31 -6.881 -11.757 -5.379 1.00 0.00 C ATOM 466 C SER A 31 -7.055 -11.622 -3.869 1.00 0.00 C ATOM 467 O SER A 31 -8.063 -12.032 -3.289 1.00 0.00 O ATOM 468 CB SER A 31 -7.385 -13.122 -5.892 1.00 0.00 C ATOM 469 OG SER A 31 -8.802 -13.198 -5.845 1.00 0.00 O ATOM 0 H SER A 31 -5.331 -10.689 -6.288 1.00 0.00 H new ATOM 0 HA SER A 31 -7.491 -10.993 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.044 -13.277 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.955 -13.921 -5.288 1.00 0.00 H new ATOM 0 HG SER A 31 -9.120 -12.847 -4.987 1.00 0.00 H new ATOM 475 N SER A 32 -6.068 -11.027 -3.238 1.00 0.00 N ATOM 476 CA SER A 32 -6.095 -10.791 -1.826 1.00 0.00 C ATOM 477 C SER A 32 -6.274 -9.306 -1.559 1.00 0.00 C ATOM 478 O SER A 32 -6.100 -8.471 -2.462 1.00 0.00 O ATOM 479 CB SER A 32 -4.801 -11.297 -1.198 1.00 0.00 C ATOM 480 OG SER A 32 -4.657 -12.696 -1.399 1.00 0.00 O ATOM 0 H SER A 32 -5.222 -10.694 -3.700 1.00 0.00 H new ATOM 0 HA SER A 32 -6.933 -11.328 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.951 -10.773 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.799 -11.076 -0.131 1.00 0.00 H new ATOM 0 HG SER A 32 -3.790 -12.879 -1.818 1.00 0.00 H new ATOM 486 N GLU A 33 -6.610 -8.968 -0.333 1.00 0.00 N ATOM 487 CA GLU A 33 -6.809 -7.596 0.046 1.00 0.00 C ATOM 488 C GLU A 33 -6.414 -7.388 1.494 1.00 0.00 C ATOM 489 O GLU A 33 -6.474 -8.312 2.304 1.00 0.00 O ATOM 490 CB GLU A 33 -8.261 -7.150 -0.184 1.00 0.00 C ATOM 491 CG GLU A 33 -9.303 -7.896 0.633 1.00 0.00 C ATOM 492 CD GLU A 33 -10.629 -7.160 0.679 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.124 -6.736 -0.383 1.00 0.00 O ATOM 494 OE2 GLU A 33 -11.174 -6.981 1.786 1.00 0.00 O ATOM 0 H GLU A 33 -6.751 -9.638 0.423 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.171 -6.980 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.338 -6.087 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.498 -7.269 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.454 -8.888 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.933 -8.038 1.648 1.00 0.00 H new ATOM 501 N ILE A 34 -6.015 -6.182 1.824 1.00 0.00 N ATOM 502 CA ILE A 34 -5.611 -5.867 3.178 1.00 0.00 C ATOM 503 C ILE A 34 -6.394 -4.658 3.681 1.00 0.00 C ATOM 504 O ILE A 34 -6.735 -3.753 2.902 1.00 0.00 O ATOM 505 CB ILE A 34 -4.073 -5.585 3.282 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.611 -5.537 4.738 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.702 -4.298 2.584 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.482 -6.895 5.373 1.00 0.00 C ATOM 0 H ILE A 34 -5.961 -5.399 1.172 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.829 -6.736 3.799 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.564 -6.411 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.648 -5.028 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.317 -4.941 5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.629 -4.131 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.971 -4.365 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.238 -3.467 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.150 -6.784 6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.449 -7.399 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.754 -7.488 4.820 1.00 0.00 H new ATOM 520 N HIS A 35 -6.729 -4.665 4.956 1.00 0.00 N ATOM 521 CA HIS A 35 -7.424 -3.548 5.581 1.00 0.00 C ATOM 522 C HIS A 35 -6.511 -2.918 6.600 1.00 0.00 C ATOM 523 O HIS A 35 -5.775 -3.616 7.293 1.00 0.00 O ATOM 524 CB HIS A 35 -8.705 -4.010 6.281 1.00 0.00 C ATOM 525 CG HIS A 35 -9.799 -4.443 5.364 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.128 -4.381 5.706 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.758 -4.968 4.121 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.858 -4.852 4.720 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.051 -5.216 3.742 1.00 0.00 N ATOM 0 H HIS A 35 -6.530 -5.440 5.589 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.696 -2.832 4.805 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.460 -4.837 6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.074 -3.197 6.906 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.871 -5.157 3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.935 -4.928 4.712 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.342 -5.616 2.850 1.00 0.00 H new ATOM 538 N PHE A 36 -6.540 -1.612 6.703 1.00 0.00 N ATOM 539 CA PHE A 36 -5.678 -0.922 7.649 1.00 0.00 C ATOM 540 C PHE A 36 -6.233 0.432 8.004 1.00 0.00 C ATOM 541 O PHE A 36 -7.055 0.985 7.280 1.00 0.00 O ATOM 542 CB PHE A 36 -4.260 -0.766 7.078 1.00 0.00 C ATOM 543 CG PHE A 36 -4.234 -0.322 5.643 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.393 1.010 5.308 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.059 -1.244 4.630 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.376 1.412 3.991 1.00 0.00 C ATOM 547 CE2 PHE A 36 -4.043 -0.848 3.315 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.201 0.483 2.994 1.00 0.00 C ATOM 0 H PHE A 36 -7.144 -1.003 6.151 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.634 -1.528 8.554 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.711 -0.044 7.683 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.736 -1.718 7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.532 1.744 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.933 -2.288 4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.500 2.456 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.907 -1.580 2.532 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.187 0.795 1.960 1.00 0.00 H new HETATM 558 OH ALY A 37 -5.437 -0.153 15.958 1.00 0.00 O HETATM 559 CH ALY A 37 -6.510 0.169 15.434 1.00 0.00 C HETATM 560 CH3 ALY A 37 -7.405 1.215 16.043 1.00 0.00 C HETATM 561 NZ ALY A 37 -6.943 -0.386 14.314 1.00 0.00 N HETATM 562 CE ALY A 37 -6.095 -0.657 13.155 1.00 0.00 C HETATM 563 CD ALY A 37 -6.609 0.027 11.901 1.00 0.00 C HETATM 564 CG ALY A 37 -6.529 1.544 12.028 1.00 0.00 C HETATM 565 CB ALY A 37 -7.094 2.261 10.798 1.00 0.00 C HETATM 566 CA ALY A 37 -6.177 2.284 9.543 1.00 0.00 C HETATM 567 N ALY A 37 -5.783 0.967 9.117 1.00 0.00 N HETATM 568 C ALY A 37 -4.942 3.138 9.759 1.00 0.00 C HETATM 569 O ALY A 37 -4.234 3.011 10.757 1.00 0.00 O HETATM 0 HH33 ALY A 37 -7.704 0.901 17.043 1.00 0.00 H new HETATM 0 HH32 ALY A 37 -6.868 2.162 16.106 1.00 0.00 H new HETATM 0 HH31 ALY A 37 -8.292 1.341 15.422 1.00 0.00 H new HETATM 0 HZ ALY A 37 -7.929 -0.640 14.256 1.00 0.00 H new HETATM 0 HG3 ALY A 37 -5.490 1.840 12.173 1.00 0.00 H new HETATM 0 HG2 ALY A 37 -7.078 1.862 12.915 1.00 0.00 H new HETATM 0 HE3 ALY A 37 -6.045 -1.733 12.986 1.00 0.00 H new HETATM 0 HE2 ALY A 37 -5.080 -0.319 13.362 1.00 0.00 H new HETATM 0 HD3 ALY A 37 -7.641 -0.271 11.718 1.00 0.00 H new HETATM 0 HD2 ALY A 37 -6.025 -0.300 11.040 1.00 0.00 H new HETATM 0 HCA ALY A 37 -6.780 2.728 8.751 1.00 0.00 H new HETATM 0 HB3 ALY A 37 -7.323 3.290 11.075 1.00 0.00 H new HETATM 0 HB2 ALY A 37 -8.037 1.786 10.526 1.00 0.00 H new ATOM 584 N VAL A 38 -4.657 3.980 8.795 1.00 0.00 N ATOM 585 CA VAL A 38 -3.480 4.817 8.845 1.00 0.00 C ATOM 586 C VAL A 38 -3.822 6.199 9.366 1.00 0.00 C ATOM 587 O VAL A 38 -4.965 6.484 9.706 1.00 0.00 O ATOM 588 CB VAL A 38 -2.803 4.939 7.455 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.363 3.572 6.954 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.732 5.607 6.451 1.00 0.00 C ATOM 0 H VAL A 38 -5.229 4.105 7.959 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.778 4.339 9.528 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.919 5.568 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.890 3.677 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.652 3.139 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.232 2.919 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.232 5.680 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.641 5.014 6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.989 6.606 6.802 1.00 0.00 H new ATOM 600 N LYS A 39 -2.838 7.064 9.413 1.00 0.00 N ATOM 601 CA LYS A 39 -3.035 8.402 9.910 1.00 0.00 C ATOM 602 C LYS A 39 -3.299 9.336 8.744 1.00 0.00 C ATOM 603 O LYS A 39 -3.025 8.987 7.592 1.00 0.00 O ATOM 604 CB LYS A 39 -1.796 8.863 10.688 1.00 0.00 C ATOM 605 CG LYS A 39 -1.304 7.845 11.714 1.00 0.00 C ATOM 606 CD LYS A 39 -0.061 8.333 12.450 1.00 0.00 C ATOM 607 CE LYS A 39 -0.389 9.452 13.426 1.00 0.00 C ATOM 608 NZ LYS A 39 0.823 9.968 14.108 1.00 0.00 N ATOM 0 H LYS A 39 -1.885 6.862 9.110 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.891 8.416 10.584 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.992 9.073 9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.025 9.799 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.097 7.644 12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.082 6.903 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.393 7.501 12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.675 8.684 11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.879 10.266 12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.097 9.088 14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.555 10.390 15.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.489 9.186 14.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.276 10.690 13.512 1.00 0.00 H new ATOM 622 N MET A 40 -3.842 10.524 9.029 1.00 0.00 N ATOM 623 CA MET A 40 -4.104 11.528 7.991 1.00 0.00 C ATOM 624 C MET A 40 -2.841 11.777 7.182 1.00 0.00 C ATOM 625 O MET A 40 -2.879 11.954 5.962 1.00 0.00 O ATOM 626 CB MET A 40 -4.585 12.837 8.633 1.00 0.00 C ATOM 627 CG MET A 40 -4.939 13.958 7.647 1.00 0.00 C ATOM 628 SD MET A 40 -6.479 13.667 6.728 1.00 0.00 S ATOM 629 CE MET A 40 -5.887 12.764 5.291 1.00 0.00 C ATOM 0 H MET A 40 -4.109 10.814 9.970 1.00 0.00 H new ATOM 0 HA MET A 40 -4.884 11.156 7.326 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.462 12.622 9.244 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.808 13.199 9.306 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.025 14.897 8.194 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.120 14.077 6.937 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.523 12.987 4.434 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.862 13.063 5.070 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.916 11.694 5.496 1.00 0.00 H new ATOM 639 N THR A 41 -1.715 11.780 7.862 1.00 0.00 N ATOM 640 CA THR A 41 -0.450 11.952 7.217 1.00 0.00 C ATOM 641 C THR A 41 0.531 10.887 7.707 1.00 0.00 C ATOM 642 O THR A 41 0.802 10.776 8.906 1.00 0.00 O ATOM 643 CB THR A 41 0.106 13.366 7.495 1.00 0.00 C ATOM 644 OG1 THR A 41 0.206 13.581 8.912 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.821 14.417 6.901 1.00 0.00 C ATOM 0 H THR A 41 -1.660 11.663 8.874 1.00 0.00 H new ATOM 0 HA THR A 41 -0.583 11.841 6.141 1.00 0.00 H new ATOM 0 HB THR A 41 1.092 13.449 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.430 12.736 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.421 15.411 7.102 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.897 14.268 5.824 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.810 14.326 7.351 1.00 0.00 H new ATOM 653 N THR A 42 1.025 10.077 6.787 1.00 0.00 N ATOM 654 CA THR A 42 1.982 9.033 7.102 1.00 0.00 C ATOM 655 C THR A 42 2.492 8.408 5.808 1.00 0.00 C ATOM 656 O THR A 42 1.978 8.702 4.724 1.00 0.00 O ATOM 657 CB THR A 42 1.360 7.929 8.003 1.00 0.00 C ATOM 658 OG1 THR A 42 2.386 7.050 8.482 1.00 0.00 O ATOM 659 CG2 THR A 42 0.331 7.114 7.233 1.00 0.00 C ATOM 0 H THR A 42 0.773 10.125 5.800 1.00 0.00 H new ATOM 0 HA THR A 42 2.805 9.487 7.654 1.00 0.00 H new ATOM 0 HB THR A 42 0.868 8.420 8.843 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.986 6.359 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.089 6.349 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.466 7.771 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.810 6.638 6.377 1.00 0.00 H new ATOM 667 N HIS A 43 3.480 7.544 5.909 1.00 0.00 N ATOM 668 CA HIS A 43 4.011 6.871 4.743 1.00 0.00 C ATOM 669 C HIS A 43 3.292 5.559 4.535 1.00 0.00 C ATOM 670 O HIS A 43 3.236 4.713 5.430 1.00 0.00 O ATOM 671 CB HIS A 43 5.514 6.635 4.874 1.00 0.00 C ATOM 672 CG HIS A 43 6.309 7.900 4.962 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.213 8.155 5.966 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.328 8.987 4.156 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.750 9.344 5.777 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.230 9.871 4.684 1.00 0.00 N ATOM 0 H HIS A 43 3.932 7.291 6.788 1.00 0.00 H new ATOM 0 HA HIS A 43 3.849 7.512 3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.704 6.033 5.763 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.859 6.056 4.017 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.740 9.130 3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.491 9.809 6.410 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.462 10.786 4.297 1.00 0.00 H new ATOM 685 N LEU A 44 2.737 5.380 3.349 1.00 0.00 N ATOM 686 CA LEU A 44 1.977 4.179 3.014 1.00 0.00 C ATOM 687 C LEU A 44 2.806 2.894 3.101 1.00 0.00 C ATOM 688 O LEU A 44 2.263 1.791 2.988 1.00 0.00 O ATOM 689 CB LEU A 44 1.336 4.304 1.635 1.00 0.00 C ATOM 690 CG LEU A 44 0.336 5.449 1.470 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.380 5.345 0.140 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.664 5.473 2.620 1.00 0.00 C ATOM 0 H LEU A 44 2.798 6.059 2.590 1.00 0.00 H new ATOM 0 HA LEU A 44 1.194 4.099 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.128 4.428 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.829 3.367 1.404 1.00 0.00 H new ATOM 0 HG LEU A 44 0.892 6.387 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.087 6.169 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.348 5.393 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.917 4.398 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.363 6.297 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.213 4.532 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.132 5.608 3.562 1.00 0.00 H new ATOM 704 N LYS A 45 4.114 3.017 3.278 1.00 0.00 N ATOM 705 CA LYS A 45 4.976 1.854 3.399 1.00 0.00 C ATOM 706 C LYS A 45 4.526 0.972 4.566 1.00 0.00 C ATOM 707 O LYS A 45 4.702 -0.242 4.549 1.00 0.00 O ATOM 708 CB LYS A 45 6.423 2.279 3.593 1.00 0.00 C ATOM 709 CG LYS A 45 7.408 1.143 3.429 1.00 0.00 C ATOM 710 CD LYS A 45 8.102 0.800 4.731 1.00 0.00 C ATOM 711 CE LYS A 45 9.030 1.917 5.154 1.00 0.00 C ATOM 712 NZ LYS A 45 10.025 2.238 4.094 1.00 0.00 N ATOM 0 H LYS A 45 4.600 3.912 3.341 1.00 0.00 H new ATOM 0 HA LYS A 45 4.903 1.278 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.663 3.065 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.538 2.709 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.886 0.263 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.153 1.415 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.359 0.624 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.667 -0.125 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.446 2.807 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.551 1.631 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.807 2.785 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.396 1.356 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.567 2.798 3.346 1.00 0.00 H new ATOM 726 N LYS A 46 3.912 1.595 5.564 1.00 0.00 N ATOM 727 CA LYS A 46 3.389 0.902 6.723 1.00 0.00 C ATOM 728 C LYS A 46 2.368 -0.173 6.317 1.00 0.00 C ATOM 729 O LYS A 46 2.301 -1.256 6.912 1.00 0.00 O ATOM 730 CB LYS A 46 2.755 1.928 7.666 1.00 0.00 C ATOM 731 CG LYS A 46 1.853 1.337 8.717 1.00 0.00 C ATOM 732 CD LYS A 46 0.385 1.534 8.364 1.00 0.00 C ATOM 733 CE LYS A 46 -0.524 1.028 9.469 1.00 0.00 C ATOM 734 NZ LYS A 46 -0.281 1.729 10.756 1.00 0.00 N ATOM 0 H LYS A 46 3.764 2.604 5.587 1.00 0.00 H new ATOM 0 HA LYS A 46 4.205 0.391 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.549 2.488 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.183 2.642 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.064 0.273 8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.062 1.801 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.191 2.592 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.159 1.009 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.564 1.164 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.368 -0.042 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.088 1.574 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.585 1.357 11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.170 2.748 10.581 1.00 0.00 H new ATOM 748 N LEU A 47 1.605 0.112 5.280 1.00 0.00 N ATOM 749 CA LEU A 47 0.599 -0.825 4.814 1.00 0.00 C ATOM 750 C LEU A 47 1.247 -1.826 3.865 1.00 0.00 C ATOM 751 O LEU A 47 0.789 -2.957 3.717 1.00 0.00 O ATOM 752 CB LEU A 47 -0.580 -0.097 4.152 1.00 0.00 C ATOM 753 CG LEU A 47 -0.350 0.405 2.737 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.850 -0.605 1.717 1.00 0.00 C ATOM 755 CD2 LEU A 47 -1.006 1.754 2.529 1.00 0.00 C ATOM 0 H LEU A 47 1.661 0.979 4.746 1.00 0.00 H new ATOM 0 HA LEU A 47 0.190 -1.365 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.436 -0.771 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.852 0.754 4.777 1.00 0.00 H new ATOM 0 HG LEU A 47 0.723 0.527 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.675 -0.224 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.317 -1.547 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.918 -0.770 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.827 2.092 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.079 1.667 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.585 2.475 3.229 1.00 0.00 H new ATOM 767 N LYS A 48 2.319 -1.400 3.201 1.00 0.00 N ATOM 768 CA LYS A 48 3.101 -2.308 2.360 1.00 0.00 C ATOM 769 C LYS A 48 3.622 -3.446 3.225 1.00 0.00 C ATOM 770 O LYS A 48 3.576 -4.619 2.841 1.00 0.00 O ATOM 771 CB LYS A 48 4.272 -1.568 1.680 1.00 0.00 C ATOM 772 CG LYS A 48 3.901 -0.815 0.394 1.00 0.00 C ATOM 773 CD LYS A 48 2.670 0.054 0.577 1.00 0.00 C ATOM 774 CE LYS A 48 2.393 0.914 -0.639 1.00 0.00 C ATOM 775 NZ LYS A 48 1.043 1.534 -0.574 1.00 0.00 N ATOM 0 H LYS A 48 2.665 -0.441 3.227 1.00 0.00 H new ATOM 0 HA LYS A 48 2.463 -2.704 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.695 -0.858 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.054 -2.291 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.741 -0.193 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.722 -1.532 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.806 -0.580 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.805 0.693 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.150 1.695 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.472 0.307 -1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.503 1.279 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.543 1.189 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.138 2.568 -0.521 1.00 0.00 H new ATOM 789 N GLU A 49 4.100 -3.093 4.416 1.00 0.00 N ATOM 790 CA GLU A 49 4.558 -4.075 5.380 1.00 0.00 C ATOM 791 C GLU A 49 3.418 -4.981 5.775 1.00 0.00 C ATOM 792 O GLU A 49 3.513 -6.198 5.674 1.00 0.00 O ATOM 793 CB GLU A 49 5.092 -3.390 6.630 1.00 0.00 C ATOM 794 CG GLU A 49 6.220 -2.430 6.365 1.00 0.00 C ATOM 795 CD GLU A 49 6.802 -1.860 7.640 1.00 0.00 C ATOM 796 OE1 GLU A 49 7.652 -2.529 8.264 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.400 -0.744 8.039 1.00 0.00 O ATOM 0 H GLU A 49 4.178 -2.126 4.732 1.00 0.00 H new ATOM 0 HA GLU A 49 5.355 -4.657 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.277 -2.852 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.433 -4.151 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.005 -2.941 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.860 -1.615 5.737 1.00 0.00 H new ATOM 804 N SER A 50 2.313 -4.372 6.196 1.00 0.00 N ATOM 805 CA SER A 50 1.140 -5.117 6.651 1.00 0.00 C ATOM 806 C SER A 50 0.646 -6.097 5.586 1.00 0.00 C ATOM 807 O SER A 50 0.114 -7.162 5.893 1.00 0.00 O ATOM 808 CB SER A 50 0.019 -4.151 7.061 1.00 0.00 C ATOM 809 OG SER A 50 -0.438 -3.372 5.975 1.00 0.00 O ATOM 0 H SER A 50 2.204 -3.358 6.232 1.00 0.00 H new ATOM 0 HA SER A 50 1.435 -5.702 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.814 -4.719 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.380 -3.493 7.851 1.00 0.00 H new ATOM 0 HG SER A 50 0.125 -3.541 5.191 1.00 0.00 H new ATOM 815 N TYR A 51 0.858 -5.753 4.332 1.00 0.00 N ATOM 816 CA TYR A 51 0.419 -6.604 3.238 1.00 0.00 C ATOM 817 C TYR A 51 1.342 -7.821 3.124 1.00 0.00 C ATOM 818 O TYR A 51 0.885 -8.970 3.118 1.00 0.00 O ATOM 819 CB TYR A 51 0.370 -5.836 1.916 1.00 0.00 C ATOM 820 CG TYR A 51 -0.518 -6.480 0.857 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.277 -7.767 0.398 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.594 -5.793 0.320 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.084 -8.350 -0.566 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.406 -6.369 -0.645 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.145 -7.644 -1.082 1.00 0.00 C ATOM 826 OH TYR A 51 -2.948 -8.214 -2.047 1.00 0.00 O ATOM 0 H TYR A 51 1.329 -4.895 4.043 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.594 -6.944 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.013 -4.824 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.382 -5.747 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.556 -8.325 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.805 -4.790 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.881 -9.353 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.241 -5.817 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.889 -8.094 -1.802 1.00 0.00 H new ATOM 836 N CYS A 52 2.647 -7.568 3.041 1.00 0.00 N ATOM 837 CA CYS A 52 3.640 -8.642 2.954 1.00 0.00 C ATOM 838 C CYS A 52 3.600 -9.531 4.195 1.00 0.00 C ATOM 839 O CYS A 52 3.809 -10.732 4.115 1.00 0.00 O ATOM 840 CB CYS A 52 5.058 -8.067 2.737 1.00 0.00 C ATOM 841 SG CYS A 52 6.404 -9.249 2.973 1.00 0.00 S ATOM 0 H CYS A 52 3.044 -6.628 3.032 1.00 0.00 H new ATOM 0 HA CYS A 52 3.388 -9.259 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.120 -7.665 1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.204 -7.231 3.422 1.00 0.00 H new ATOM 0 HG CYS A 52 5.921 -10.375 3.407 1.00 0.00 H new ATOM 847 N GLN A 53 3.312 -8.939 5.334 1.00 0.00 N ATOM 848 CA GLN A 53 3.251 -9.672 6.591 1.00 0.00 C ATOM 849 C GLN A 53 2.007 -10.552 6.666 1.00 0.00 C ATOM 850 O GLN A 53 2.062 -11.700 7.104 1.00 0.00 O ATOM 851 CB GLN A 53 3.273 -8.697 7.764 1.00 0.00 C ATOM 852 CG GLN A 53 4.575 -7.930 7.895 1.00 0.00 C ATOM 853 CD GLN A 53 5.701 -8.785 8.425 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.442 -9.399 7.660 1.00 0.00 O ATOM 855 NE2 GLN A 53 5.831 -8.842 9.732 1.00 0.00 N ATOM 0 H GLN A 53 3.114 -7.942 5.421 1.00 0.00 H new ATOM 0 HA GLN A 53 4.124 -10.323 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.453 -7.987 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.092 -9.248 8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.856 -7.529 6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.426 -7.079 8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.194 -8.317 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.568 -9.412 10.147 1.00 0.00 H new ATOM 864 N ARG A 54 0.884 -10.023 6.212 1.00 0.00 N ATOM 865 CA ARG A 54 -0.384 -10.727 6.308 1.00 0.00 C ATOM 866 C ARG A 54 -0.524 -11.775 5.217 1.00 0.00 C ATOM 867 O ARG A 54 -0.817 -12.937 5.492 1.00 0.00 O ATOM 868 CB ARG A 54 -1.534 -9.730 6.222 1.00 0.00 C ATOM 869 CG ARG A 54 -2.910 -10.319 6.480 1.00 0.00 C ATOM 870 CD ARG A 54 -3.030 -10.851 7.896 1.00 0.00 C ATOM 871 NE ARG A 54 -4.404 -11.211 8.225 1.00 0.00 N ATOM 872 CZ ARG A 54 -4.754 -12.042 9.207 1.00 0.00 C ATOM 873 NH1 ARG A 54 -3.823 -12.620 9.963 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.034 -12.288 9.433 1.00 0.00 N ATOM 0 H ARG A 54 0.824 -9.105 5.772 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.414 -11.240 7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.357 -8.930 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.529 -9.276 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.671 -9.557 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.101 -11.124 5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.388 -11.724 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.673 -10.098 8.599 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.150 -10.798 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.836 -12.428 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.097 -13.255 10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.748 -11.843 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.307 -12.923 10.183 1.00 0.00 H new ATOM 888 N GLN A 55 -0.302 -11.375 3.978 1.00 0.00 N ATOM 889 CA GLN A 55 -0.463 -12.279 2.847 1.00 0.00 C ATOM 890 C GLN A 55 0.793 -13.099 2.603 1.00 0.00 C ATOM 891 O GLN A 55 0.759 -14.101 1.904 1.00 0.00 O ATOM 892 CB GLN A 55 -0.830 -11.499 1.578 1.00 0.00 C ATOM 893 CG GLN A 55 -2.312 -11.143 1.446 1.00 0.00 C ATOM 894 CD GLN A 55 -2.790 -10.092 2.438 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.923 -9.165 2.799 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.936 -10.104 2.855 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.010 -10.431 3.726 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.274 -12.964 3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.247 -10.578 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.534 -12.087 0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.499 -10.784 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.905 -12.048 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.580 -10.836 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.250 -9.382 3.504 1.00 0.00 H new ATOM 905 N GLY A 56 1.903 -12.681 3.191 1.00 0.00 N ATOM 906 CA GLY A 56 3.158 -13.399 3.018 1.00 0.00 C ATOM 907 C GLY A 56 3.651 -13.382 1.578 1.00 0.00 C ATOM 908 O GLY A 56 4.325 -14.312 1.126 1.00 0.00 O ATOM 0 H GLY A 56 1.962 -11.856 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.917 -12.956 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.028 -14.432 3.341 1.00 0.00 H new ATOM 912 N VAL A 57 3.316 -12.330 0.847 1.00 0.00 N ATOM 913 CA VAL A 57 3.731 -12.197 -0.544 1.00 0.00 C ATOM 914 C VAL A 57 4.715 -11.040 -0.710 1.00 0.00 C ATOM 915 O VAL A 57 4.622 -10.035 0.000 1.00 0.00 O ATOM 916 CB VAL A 57 2.519 -12.000 -1.500 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.694 -13.271 -1.590 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.649 -10.838 -1.046 1.00 0.00 C ATOM 0 H VAL A 57 2.755 -11.552 1.194 1.00 0.00 H new ATOM 0 HA VAL A 57 4.225 -13.130 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 57 2.910 -11.768 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.852 -13.111 -2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.315 -14.082 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.322 -13.534 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.810 -10.722 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.273 -11.035 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.240 -9.922 -1.039 1.00 0.00 H new ATOM 928 N PRO A 58 5.674 -11.176 -1.644 1.00 0.00 N ATOM 929 CA PRO A 58 6.700 -10.154 -1.890 1.00 0.00 C ATOM 930 C PRO A 58 6.112 -8.848 -2.420 1.00 0.00 C ATOM 931 O PRO A 58 5.567 -8.796 -3.518 1.00 0.00 O ATOM 932 CB PRO A 58 7.608 -10.800 -2.951 1.00 0.00 C ATOM 933 CG PRO A 58 6.754 -11.831 -3.603 1.00 0.00 C ATOM 934 CD PRO A 58 5.834 -12.340 -2.534 1.00 0.00 C ATOM 0 HA PRO A 58 7.221 -9.879 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.960 -10.063 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.492 -11.248 -2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.190 -11.404 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.361 -12.638 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.879 -12.666 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.262 -13.193 -2.008 1.00 0.00 H new ATOM 942 N MET A 59 6.230 -7.787 -1.636 1.00 0.00 N ATOM 943 CA MET A 59 5.699 -6.479 -2.008 1.00 0.00 C ATOM 944 C MET A 59 6.534 -5.793 -3.083 1.00 0.00 C ATOM 945 O MET A 59 6.157 -4.754 -3.599 1.00 0.00 O ATOM 946 CB MET A 59 5.541 -5.582 -0.778 1.00 0.00 C ATOM 947 CG MET A 59 4.304 -5.879 0.053 1.00 0.00 C ATOM 948 SD MET A 59 2.766 -5.699 -0.854 1.00 0.00 S ATOM 949 CE MET A 59 2.469 -7.387 -1.371 1.00 0.00 C ATOM 0 H MET A 59 6.694 -7.805 -0.728 1.00 0.00 H new ATOM 0 HA MET A 59 4.713 -6.650 -2.439 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.423 -5.690 -0.147 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.506 -4.542 -1.102 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.371 -6.896 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.287 -5.212 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.638 -7.411 -2.076 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.364 -7.783 -1.851 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.224 -7.996 -0.501 1.00 0.00 H new ATOM 959 N ASN A 60 7.683 -6.361 -3.402 1.00 0.00 N ATOM 960 CA ASN A 60 8.563 -5.782 -4.424 1.00 0.00 C ATOM 961 C ASN A 60 8.150 -6.223 -5.825 1.00 0.00 C ATOM 962 O ASN A 60 8.232 -5.456 -6.783 1.00 0.00 O ATOM 963 CB ASN A 60 10.027 -6.165 -4.171 1.00 0.00 C ATOM 964 CG ASN A 60 10.623 -5.508 -2.929 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.795 -5.250 -1.932 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.827 -5.245 -2.873 1.00 0.00 N flip ATOM 0 H ASN A 60 8.035 -7.218 -2.976 1.00 0.00 H new ATOM 0 HA ASN A 60 8.466 -4.698 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.098 -7.248 -4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.622 -5.887 -5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.433 -5.460 -3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.216 -4.813 -2.035 1.00 0.00 H new ATOM 973 N SER A 61 7.746 -7.483 -5.951 1.00 0.00 N ATOM 974 CA SER A 61 7.304 -8.036 -7.231 1.00 0.00 C ATOM 975 C SER A 61 6.134 -7.243 -7.841 1.00 0.00 C ATOM 976 O SER A 61 5.972 -7.195 -9.065 1.00 0.00 O ATOM 977 CB SER A 61 6.931 -9.503 -7.059 1.00 0.00 C ATOM 978 OG SER A 61 8.035 -10.243 -6.549 1.00 0.00 O ATOM 0 H SER A 61 7.715 -8.147 -5.177 1.00 0.00 H new ATOM 0 HA SER A 61 8.135 -7.953 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.082 -9.591 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.618 -9.919 -8.017 1.00 0.00 H new ATOM 0 HG SER A 61 7.778 -11.183 -6.443 1.00 0.00 H new ATOM 984 N LEU A 62 5.329 -6.626 -7.001 1.00 0.00 N ATOM 985 CA LEU A 62 4.214 -5.827 -7.457 1.00 0.00 C ATOM 986 C LEU A 62 4.319 -4.399 -6.924 1.00 0.00 C ATOM 987 O LEU A 62 5.242 -4.074 -6.188 1.00 0.00 O ATOM 988 CB LEU A 62 2.849 -6.471 -7.080 1.00 0.00 C ATOM 989 CG LEU A 62 2.693 -7.133 -5.687 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.363 -8.495 -5.640 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.205 -6.232 -4.572 1.00 0.00 C ATOM 0 H LEU A 62 5.430 -6.665 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 62 4.259 -5.789 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.085 -5.698 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.622 -7.227 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 62 1.626 -7.281 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.234 -8.930 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.910 -9.149 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.426 -8.385 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.078 -6.733 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.262 -6.019 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.643 -5.298 -4.572 1.00 0.00 H new ATOM 1003 N ARG A 63 3.388 -3.540 -7.302 1.00 0.00 N ATOM 1004 CA ARG A 63 3.393 -2.172 -6.810 1.00 0.00 C ATOM 1005 C ARG A 63 1.995 -1.700 -6.474 1.00 0.00 C ATOM 1006 O ARG A 63 1.005 -2.314 -6.872 1.00 0.00 O ATOM 1007 CB ARG A 63 4.062 -1.197 -7.794 1.00 0.00 C ATOM 1008 CG ARG A 63 3.402 -1.085 -9.164 1.00 0.00 C ATOM 1009 CD ARG A 63 3.849 -2.190 -10.101 1.00 0.00 C ATOM 1010 NE ARG A 63 3.919 -1.717 -11.486 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.053 -1.638 -12.194 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.188 -2.106 -11.690 1.00 0.00 N ATOM 1013 NH2 ARG A 63 5.040 -1.116 -13.412 1.00 0.00 N ATOM 0 H ARG A 63 2.625 -3.762 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 63 3.988 -2.178 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.082 -0.207 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.098 -1.505 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.319 -1.123 -9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.642 -0.117 -9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.826 -2.560 -9.791 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.155 -3.028 -10.035 1.00 0.00 H new ATOM 0 HE ARG A 63 3.051 -1.430 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.198 -2.527 -10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.050 -2.044 -12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.166 -0.774 -13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.904 -1.056 -13.950 1.00 0.00 H new ATOM 1027 N PHE A 64 1.913 -0.586 -5.768 1.00 0.00 N ATOM 1028 CA PHE A 64 0.643 -0.045 -5.323 1.00 0.00 C ATOM 1029 C PHE A 64 0.298 1.206 -6.094 1.00 0.00 C ATOM 1030 O PHE A 64 0.996 2.222 -6.006 1.00 0.00 O ATOM 1031 CB PHE A 64 0.687 0.278 -3.831 1.00 0.00 C ATOM 1032 CG PHE A 64 0.724 -0.924 -2.936 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.836 -1.747 -2.902 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.349 -1.222 -2.116 1.00 0.00 C ATOM 1035 CE1 PHE A 64 1.874 -2.841 -2.069 1.00 0.00 C ATOM 1036 CE2 PHE A 64 -0.317 -2.317 -1.282 1.00 0.00 C ATOM 1037 CZ PHE A 64 0.795 -3.128 -1.258 1.00 0.00 C ATOM 0 H PHE A 64 2.723 -0.033 -5.488 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.122 -0.800 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.565 0.892 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.186 0.878 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.683 -1.528 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.223 -0.588 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.748 -3.475 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.163 -2.539 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.823 -3.988 -0.605 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.769 1.139 -6.846 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.223 2.260 -7.623 1.00 0.00 C ATOM 1049 C LEU A 65 -2.654 2.594 -7.251 1.00 0.00 C ATOM 1050 O LEU A 65 -3.499 1.717 -7.116 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.132 1.962 -9.123 1.00 0.00 C ATOM 1052 CG LEU A 65 0.202 1.397 -9.624 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.142 1.145 -11.122 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.342 2.341 -9.294 1.00 0.00 C ATOM 0 H LEU A 65 -1.348 0.304 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.580 3.112 -7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.921 1.255 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.340 2.883 -9.668 1.00 0.00 H new ATOM 0 HG LEU A 65 0.383 0.449 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.097 0.744 -11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.650 0.429 -11.339 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.064 2.081 -11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.279 1.921 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.166 3.305 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.401 2.477 -8.214 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.919 3.848 -7.068 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.245 4.306 -6.729 1.00 0.00 C ATOM 1068 C PHE A 66 -4.870 4.986 -7.920 1.00 0.00 C ATOM 1069 O PHE A 66 -4.544 6.122 -8.222 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.202 5.256 -5.521 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.488 5.999 -5.275 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.710 5.362 -5.412 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.470 7.338 -4.923 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.884 6.042 -5.205 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.647 8.028 -4.709 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.857 7.378 -4.851 1.00 0.00 C ATOM 0 H PHE A 66 -2.226 4.592 -7.148 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.854 3.445 -6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.951 4.681 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.400 5.979 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.739 4.317 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.525 7.849 -4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.830 5.533 -5.319 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.621 9.071 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.781 7.913 -4.686 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.748 4.264 -8.620 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.454 4.768 -9.817 1.00 0.00 C ATOM 1088 C GLU A 67 -5.500 5.487 -10.798 1.00 0.00 C ATOM 1089 O GLU A 67 -5.896 6.402 -11.527 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.648 5.676 -9.423 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.267 6.990 -8.760 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.453 7.908 -8.562 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -9.408 7.518 -7.868 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.433 9.032 -9.103 1.00 0.00 O ATOM 0 H GLU A 67 -5.996 3.305 -8.376 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.852 3.900 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.230 5.894 -10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.299 5.121 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.806 6.785 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.518 7.496 -9.369 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.257 5.026 -10.852 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.260 5.635 -11.726 1.00 0.00 C ATOM 1103 C GLY A 68 -2.220 6.452 -10.963 1.00 0.00 C ATOM 1104 O GLY A 68 -1.342 7.075 -11.560 1.00 0.00 O ATOM 0 H GLY A 68 -3.915 4.236 -10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.755 4.853 -12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.762 6.279 -12.448 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.311 6.454 -9.643 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.351 7.145 -8.806 1.00 0.00 C ATOM 1110 C GLN A 69 -0.309 6.160 -8.335 1.00 0.00 C ATOM 1111 O GLN A 69 -0.645 5.120 -7.804 1.00 0.00 O ATOM 1112 CB GLN A 69 -2.044 7.771 -7.590 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.948 8.954 -7.904 1.00 0.00 C ATOM 1114 CD GLN A 69 -2.209 10.288 -7.969 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -0.947 10.269 -8.360 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 -2.779 11.333 -7.667 1.00 0.00 N flip ATOM 0 H GLN A 69 -3.050 5.978 -9.126 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.884 7.940 -9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.636 7.003 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.281 8.094 -6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.446 8.777 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.727 9.017 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.754 11.314 -7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.277 12.220 -7.714 1.00 0.00 H new ATOM 1125 N ARG A 70 0.945 6.459 -8.544 1.00 0.00 N ATOM 1126 CA ARG A 70 2.003 5.570 -8.121 1.00 0.00 C ATOM 1127 C ARG A 70 2.437 5.861 -6.701 1.00 0.00 C ATOM 1128 O ARG A 70 2.787 6.990 -6.341 1.00 0.00 O ATOM 1129 CB ARG A 70 3.179 5.647 -9.084 1.00 0.00 C ATOM 1130 CG ARG A 70 3.712 7.044 -9.287 1.00 0.00 C ATOM 1131 CD ARG A 70 4.368 7.170 -10.631 1.00 0.00 C ATOM 1132 NE ARG A 70 4.651 8.566 -10.963 1.00 0.00 N ATOM 1133 CZ ARG A 70 4.242 9.165 -12.082 1.00 0.00 C ATOM 1134 NH1 ARG A 70 3.590 8.475 -13.012 1.00 0.00 N ATOM 1135 NH2 ARG A 70 4.490 10.452 -12.272 1.00 0.00 N ATOM 0 H ARG A 70 1.263 7.312 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 70 1.614 4.552 -8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.983 5.012 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.873 5.241 -10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.898 7.765 -9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.430 7.283 -8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.296 6.598 -10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.721 6.738 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 70 5.195 9.115 -10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.400 7.483 -12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.279 8.938 -13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.994 10.984 -11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.177 10.911 -13.128 1.00 0.00 H new ATOM 1149 N ILE A 71 2.381 4.850 -5.884 1.00 0.00 N ATOM 1150 CA ILE A 71 2.764 4.961 -4.496 1.00 0.00 C ATOM 1151 C ILE A 71 4.010 4.124 -4.219 1.00 0.00 C ATOM 1152 O ILE A 71 3.929 2.906 -4.024 1.00 0.00 O ATOM 1153 CB ILE A 71 1.621 4.501 -3.536 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.400 5.443 -3.607 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.129 4.409 -2.103 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.500 5.223 -4.806 1.00 0.00 C ATOM 0 H ILE A 71 2.068 3.919 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 71 2.971 6.014 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 71 1.300 3.512 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.190 5.320 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.754 6.474 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.318 4.087 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.945 3.688 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.488 5.386 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.330 5.929 -4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.070 5.377 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.889 4.205 -4.787 1.00 0.00 H new ATOM 1168 N ALA A 72 5.169 4.762 -4.206 1.00 0.00 N ATOM 1169 CA ALA A 72 6.403 4.046 -3.939 1.00 0.00 C ATOM 1170 C ALA A 72 6.793 4.169 -2.470 1.00 0.00 C ATOM 1171 O ALA A 72 7.662 4.943 -2.110 1.00 0.00 O ATOM 1172 CB ALA A 72 7.520 4.555 -4.842 1.00 0.00 C ATOM 0 H ALA A 72 5.280 5.762 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 72 6.242 2.990 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.438 4.008 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.242 4.405 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.680 5.617 -4.659 1.00 0.00 H new ATOM 1178 N ASP A 73 6.099 3.394 -1.629 1.00 0.00 N ATOM 1179 CA ASP A 73 6.321 3.304 -0.155 1.00 0.00 C ATOM 1180 C ASP A 73 6.563 4.671 0.559 1.00 0.00 C ATOM 1181 O ASP A 73 7.017 4.710 1.696 1.00 0.00 O ATOM 1182 CB ASP A 73 7.458 2.298 0.161 1.00 0.00 C ATOM 1183 CG ASP A 73 8.844 2.926 0.334 1.00 0.00 C ATOM 1184 OD1 ASP A 73 9.513 3.197 -0.681 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.274 3.115 1.500 1.00 0.00 O ATOM 0 H ASP A 73 5.343 2.789 -1.950 1.00 0.00 H new ATOM 0 HA ASP A 73 5.381 2.939 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.203 1.758 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.506 1.562 -0.642 1.00 0.00 H new ATOM 1190 N ASN A 74 6.174 5.779 -0.057 1.00 0.00 N ATOM 1191 CA ASN A 74 6.424 7.086 0.550 1.00 0.00 C ATOM 1192 C ASN A 74 5.282 8.045 0.299 1.00 0.00 C ATOM 1193 O ASN A 74 5.144 9.049 0.993 1.00 0.00 O ATOM 1194 CB ASN A 74 7.758 7.699 0.067 1.00 0.00 C ATOM 1195 CG ASN A 74 7.674 8.352 -1.305 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.345 9.535 -1.428 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.977 7.599 -2.337 1.00 0.00 N ATOM 0 H ASN A 74 5.694 5.805 -0.957 1.00 0.00 H new ATOM 0 HA ASN A 74 6.500 6.921 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.089 8.442 0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.518 6.918 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.945 7.988 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.245 6.625 -2.196 1.00 0.00 H new ATOM 1204 N HIS A 75 4.454 7.747 -0.701 1.00 0.00 N ATOM 1205 CA HIS A 75 3.310 8.580 -0.992 1.00 0.00 C ATOM 1206 C HIS A 75 2.388 8.603 0.217 1.00 0.00 C ATOM 1207 O HIS A 75 2.294 7.621 0.960 1.00 0.00 O ATOM 1208 CB HIS A 75 2.562 8.069 -2.226 1.00 0.00 C ATOM 1209 CG HIS A 75 2.188 9.154 -3.197 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.412 9.064 -4.557 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.596 10.351 -3.001 1.00 0.00 C ATOM 1212 CE1 HIS A 75 1.976 10.160 -5.147 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.477 10.953 -4.227 1.00 0.00 N ATOM 0 H HIS A 75 4.561 6.939 -1.314 1.00 0.00 H new ATOM 0 HA HIS A 75 3.653 9.592 -1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.183 7.334 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.657 7.554 -1.904 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.847 8.273 -5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.275 10.759 -2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.022 10.369 -6.206 1.00 0.00 H new ATOM 1222 N THR A 76 1.719 9.704 0.422 1.00 0.00 N ATOM 1223 CA THR A 76 0.869 9.880 1.578 1.00 0.00 C ATOM 1224 C THR A 76 -0.596 9.966 1.164 1.00 0.00 C ATOM 1225 O THR A 76 -0.907 10.376 0.038 1.00 0.00 O ATOM 1226 CB THR A 76 1.251 11.166 2.337 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.140 12.289 1.459 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.670 11.085 2.866 1.00 0.00 C ATOM 0 H THR A 76 1.745 10.508 -0.205 1.00 0.00 H new ATOM 0 HA THR A 76 1.009 9.016 2.228 1.00 0.00 H new ATOM 0 HB THR A 76 0.571 11.280 3.181 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.786 12.976 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.913 12.005 3.397 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.756 10.239 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.362 10.953 2.034 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.521 9.590 2.069 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.963 9.648 1.801 1.00 0.00 C ATOM 1238 C PRO A 77 -3.434 11.077 1.535 1.00 0.00 C ATOM 1239 O PRO A 77 -4.381 11.306 0.778 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.600 9.105 3.095 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.539 9.231 4.135 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.233 9.068 3.418 1.00 0.00 C ATOM 0 HA PRO A 77 -3.236 9.079 0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.488 9.676 3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.913 8.068 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.593 10.200 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.657 8.470 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.434 9.628 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.918 8.025 3.387 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.733 12.041 2.122 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.089 13.449 1.989 1.00 0.00 C ATOM 1252 C LYS A 78 -2.712 13.966 0.607 1.00 0.00 C ATOM 1253 O LYS A 78 -3.406 14.795 0.022 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.378 14.290 3.067 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.859 14.179 3.022 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.177 15.438 3.529 1.00 0.00 C ATOM 1257 CE LYS A 78 1.337 15.289 3.483 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.035 16.535 3.881 1.00 0.00 N ATOM 0 H LYS A 78 -1.909 11.871 2.699 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.167 13.540 2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.662 15.336 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.728 13.976 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.541 13.328 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.541 13.982 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.481 16.291 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.496 15.643 4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.641 14.477 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.642 15.010 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.063 16.387 3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.767 17.305 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.765 16.789 4.853 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.616 13.449 0.080 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.095 13.875 -1.201 1.00 0.00 C ATOM 1274 C GLU A 79 -1.876 13.232 -2.337 1.00 0.00 C ATOM 1275 O GLU A 79 -2.012 13.795 -3.418 1.00 0.00 O ATOM 1276 CB GLU A 79 0.374 13.483 -1.295 1.00 0.00 C ATOM 1277 CG GLU A 79 1.077 13.962 -2.550 1.00 0.00 C ATOM 1278 CD GLU A 79 1.287 15.458 -2.563 1.00 0.00 C ATOM 1279 OE1 GLU A 79 2.130 15.947 -1.785 1.00 0.00 O ATOM 1280 OE2 GLU A 79 0.626 16.146 -3.359 1.00 0.00 O ATOM 0 H GLU A 79 -1.063 12.720 0.532 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.196 14.957 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.899 13.881 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.450 12.397 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.042 13.463 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.491 13.673 -3.423 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.395 12.044 -2.087 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.145 11.317 -3.098 1.00 0.00 C ATOM 1289 C LEU A 80 -4.559 11.851 -3.220 1.00 0.00 C ATOM 1290 O LEU A 80 -5.261 11.566 -4.191 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.190 9.845 -2.736 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.846 9.140 -2.710 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.945 7.866 -1.912 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.375 8.849 -4.124 1.00 0.00 C ATOM 0 H LEU A 80 -2.312 11.561 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.644 11.450 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.654 9.743 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.836 9.333 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.115 9.793 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.975 7.368 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.246 8.099 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.685 7.208 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.410 8.343 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.102 8.210 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.275 9.785 -4.674 1.00 0.00 H new ATOM 1306 N GLY A 81 -4.988 12.635 -2.240 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.319 13.185 -2.299 1.00 0.00 C ATOM 1308 C GLY A 81 -7.381 12.158 -1.966 1.00 0.00 C ATOM 1309 O GLY A 81 -8.556 12.342 -2.285 1.00 0.00 O ATOM 0 H GLY A 81 -4.444 12.895 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.395 14.021 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.502 13.582 -3.297 1.00 0.00 H new ATOM 1313 N MET A 82 -6.990 11.063 -1.322 1.00 0.00 N ATOM 1314 CA MET A 82 -7.931 9.987 -1.055 1.00 0.00 C ATOM 1315 C MET A 82 -8.492 10.114 0.354 1.00 0.00 C ATOM 1316 O MET A 82 -7.974 10.880 1.173 1.00 0.00 O ATOM 1317 CB MET A 82 -7.285 8.612 -1.280 1.00 0.00 C ATOM 1318 CG MET A 82 -6.192 8.239 -0.294 1.00 0.00 C ATOM 1319 SD MET A 82 -5.373 6.695 -0.749 1.00 0.00 S ATOM 1320 CE MET A 82 -4.395 6.374 0.709 1.00 0.00 C ATOM 0 H MET A 82 -6.043 10.900 -0.981 1.00 0.00 H new ATOM 0 HA MET A 82 -8.758 10.072 -1.760 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.065 7.851 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.868 8.585 -2.287 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.455 9.041 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.620 8.142 0.704 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.227 5.301 0.805 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.436 6.886 0.624 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.924 6.739 1.590 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.534 9.364 0.647 1.00 0.00 N ATOM 1331 CA GLU A 83 -10.209 9.469 1.931 1.00 0.00 C ATOM 1332 C GLU A 83 -10.279 8.093 2.597 1.00 0.00 C ATOM 1333 O GLU A 83 -9.564 7.168 2.213 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.622 10.023 1.715 1.00 0.00 C ATOM 1335 CG GLU A 83 -12.124 10.935 2.829 1.00 0.00 C ATOM 1336 CD GLU A 83 -11.399 12.263 2.868 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.507 13.031 1.885 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.745 12.561 3.891 1.00 0.00 O ATOM 0 H GLU A 83 -9.935 8.672 0.014 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.652 10.143 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.642 10.575 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.313 9.187 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.191 11.112 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.003 10.431 3.788 1.00 0.00 H new ATOM 1345 N GLU A 84 -11.128 7.956 3.604 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.301 6.695 4.285 1.00 0.00 C ATOM 1347 C GLU A 84 -12.056 5.694 3.408 1.00 0.00 C ATOM 1348 O GLU A 84 -12.691 6.068 2.416 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.002 6.899 5.643 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.306 7.688 5.585 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.437 6.907 4.968 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.819 5.867 5.540 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.954 7.329 3.918 1.00 0.00 O ATOM 0 H GLU A 84 -11.709 8.713 3.965 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.314 6.276 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.206 5.921 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.315 7.412 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.587 7.990 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.147 8.601 5.012 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.988 4.429 3.795 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.591 3.313 3.082 1.00 0.00 C ATOM 1362 C GLU A 85 -12.230 3.347 1.600 1.00 0.00 C ATOM 1363 O GLU A 85 -13.014 2.949 0.735 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.097 3.309 3.282 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.722 1.940 3.127 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.107 1.885 3.695 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.235 1.659 4.910 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -17.073 2.078 2.941 1.00 0.00 O ATOM 0 H GLU A 85 -11.496 4.142 4.641 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.190 2.387 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.325 3.693 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.553 3.991 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.753 1.674 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.097 1.198 3.624 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.028 3.807 1.305 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.577 3.918 -0.060 1.00 0.00 C ATOM 1377 C ASP A 86 -10.022 2.599 -0.544 1.00 0.00 C ATOM 1378 O ASP A 86 -9.777 1.687 0.251 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.525 5.003 -0.177 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.853 5.986 -1.283 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.693 5.631 -2.461 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.304 7.118 -0.969 1.00 0.00 O ATOM 0 H ASP A 86 -10.347 4.110 2.001 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.429 4.185 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.445 5.535 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.553 4.548 -0.371 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.811 2.487 -1.839 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.301 1.262 -2.410 1.00 0.00 C ATOM 1389 C VAL A 87 -8.060 1.521 -3.266 1.00 0.00 C ATOM 1390 O VAL A 87 -8.030 2.422 -4.106 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.387 0.498 -3.230 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.932 1.350 -4.364 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.843 -0.825 -3.758 1.00 0.00 C ATOM 0 H VAL A 87 -9.985 3.231 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.013 0.623 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.214 0.280 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.686 0.786 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.382 2.255 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.120 1.622 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.620 -1.337 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.987 -0.634 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.533 -1.451 -2.921 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.035 0.730 -3.028 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.785 0.833 -3.753 1.00 0.00 C ATOM 1405 C ILE A 88 -5.602 -0.422 -4.593 1.00 0.00 C ATOM 1406 O ILE A 88 -6.072 -1.504 -4.225 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.572 1.010 -2.801 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.825 2.143 -1.790 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.294 1.274 -3.593 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.959 3.515 -2.413 1.00 0.00 C ATOM 0 H ILE A 88 -7.045 -0.007 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.829 1.718 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.445 0.081 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.734 1.920 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.006 2.162 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.458 1.395 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.098 0.433 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.413 2.183 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.135 4.254 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.042 3.763 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.797 3.518 -3.110 1.00 0.00 H new ATOM 1422 N GLU A 89 -4.930 -0.290 -5.710 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.767 -1.385 -6.636 1.00 0.00 C ATOM 1424 C GLU A 89 -3.311 -1.828 -6.679 1.00 0.00 C ATOM 1425 O GLU A 89 -2.403 -1.008 -6.756 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.221 -0.934 -8.012 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.389 0.034 -7.961 1.00 0.00 C ATOM 1428 CD GLU A 89 -6.856 0.457 -9.329 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -6.314 1.450 -9.864 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.770 -0.194 -9.881 1.00 0.00 O ATOM 0 H GLU A 89 -4.481 0.578 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.370 -2.233 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.385 -0.460 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.505 -1.807 -8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.218 -0.431 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.099 0.917 -7.392 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.078 -3.117 -6.620 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.724 -3.635 -6.646 1.00 0.00 C ATOM 1439 C VAL A 90 -1.461 -4.407 -7.928 1.00 0.00 C ATOM 1440 O VAL A 90 -1.989 -5.508 -8.137 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.427 -4.536 -5.427 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.015 -5.080 -5.488 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.642 -3.772 -4.139 1.00 0.00 C ATOM 0 H VAL A 90 -3.805 -3.829 -6.554 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.057 -2.774 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.118 -5.379 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.170 -5.711 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.109 -5.669 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.694 -4.252 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.428 -4.422 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.976 -2.909 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.677 -3.433 -4.085 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.628 -3.842 -8.777 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.317 -4.440 -10.060 1.00 0.00 C ATOM 1455 C TYR A 91 0.990 -5.191 -9.998 1.00 0.00 C ATOM 1456 O TYR A 91 1.960 -4.721 -9.409 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.260 -3.372 -11.144 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.584 -2.691 -11.387 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.962 -1.584 -10.643 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.455 -3.157 -12.357 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.172 -0.960 -10.859 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.668 -2.540 -12.583 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.023 -1.443 -11.831 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.237 -0.824 -12.054 1.00 0.00 O ATOM 0 H TYR A 91 -0.149 -2.959 -8.599 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.109 -5.148 -10.306 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.480 -2.622 -10.865 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.082 -3.827 -12.074 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.297 -1.204 -9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.180 -4.019 -12.947 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.452 -0.098 -10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.335 -2.915 -13.345 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.714 -1.289 -12.773 1.00 0.00 H new ATOM 1474 N GLN A 92 1.023 -6.350 -10.620 1.00 0.00 N ATOM 1475 CA GLN A 92 2.197 -7.203 -10.618 1.00 0.00 C ATOM 1476 C GLN A 92 3.141 -6.828 -11.748 1.00 0.00 C ATOM 1477 O GLN A 92 2.820 -6.991 -12.927 1.00 0.00 O ATOM 1478 CB GLN A 92 1.768 -8.672 -10.721 1.00 0.00 C ATOM 1479 CG GLN A 92 2.890 -9.652 -11.027 1.00 0.00 C ATOM 1480 CD GLN A 92 4.012 -9.617 -10.017 1.00 0.00 C ATOM 1481 OE1 GLN A 92 3.805 -9.329 -8.844 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.208 -9.921 -10.473 1.00 0.00 N ATOM 0 H GLN A 92 0.235 -6.730 -11.144 1.00 0.00 H new ATOM 0 HA GLN A 92 2.736 -7.061 -9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.298 -8.964 -9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.009 -8.759 -11.498 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.480 -10.661 -11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.294 -9.432 -12.015 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.334 -10.155 -11.458 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.009 -9.923 -9.842 1.00 0.00 H new ATOM 1491 N GLU A 93 4.315 -6.332 -11.380 1.00 0.00 N ATOM 1492 CA GLU A 93 5.325 -5.916 -12.332 1.00 0.00 C ATOM 1493 C GLU A 93 6.559 -5.432 -11.580 1.00 0.00 C ATOM 1494 O GLU A 93 6.447 -4.804 -10.521 1.00 0.00 O ATOM 1495 CB GLU A 93 4.791 -4.818 -13.266 1.00 0.00 C ATOM 1496 CG GLU A 93 5.751 -4.434 -14.381 1.00 0.00 C ATOM 1497 CD GLU A 93 6.177 -5.623 -15.216 1.00 0.00 C ATOM 1498 OE1 GLU A 93 7.158 -6.296 -14.838 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.537 -5.895 -16.249 1.00 0.00 O ATOM 0 H GLU A 93 4.591 -6.208 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 93 5.594 -6.770 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.853 -5.155 -13.708 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.564 -3.931 -12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.277 -3.693 -15.025 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.634 -3.963 -13.949 1.00 0.00 H new ATOM 1506 N GLN A 94 7.725 -5.720 -12.132 1.00 0.00 N ATOM 1507 CA GLN A 94 8.998 -5.382 -11.500 1.00 0.00 C ATOM 1508 C GLN A 94 9.093 -3.890 -11.188 1.00 0.00 C ATOM 1509 O GLN A 94 8.840 -3.040 -12.042 1.00 0.00 O ATOM 1510 CB GLN A 94 10.176 -5.814 -12.376 1.00 0.00 C ATOM 1511 CG GLN A 94 11.532 -5.488 -11.769 1.00 0.00 C ATOM 1512 CD GLN A 94 12.690 -5.956 -12.618 1.00 0.00 C ATOM 1513 OE1 GLN A 94 13.183 -7.074 -12.456 1.00 0.00 O ATOM 1514 NE2 GLN A 94 13.139 -5.113 -13.518 1.00 0.00 N ATOM 0 H GLN A 94 7.821 -6.194 -13.030 1.00 0.00 H new ATOM 0 HA GLN A 94 9.044 -5.927 -10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.114 -6.888 -12.552 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.095 -5.327 -13.348 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.608 -4.410 -11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.602 -5.949 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.703 -4.197 -13.621 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.924 -5.374 -14.115 1.00 0.00 H new ATOM 1523 N THR A 95 9.441 -3.578 -9.954 1.00 0.00 N ATOM 1524 CA THR A 95 9.592 -2.214 -9.511 1.00 0.00 C ATOM 1525 C THR A 95 10.704 -2.145 -8.469 1.00 0.00 C ATOM 1526 O THR A 95 11.029 -3.149 -7.831 1.00 0.00 O ATOM 1527 CB THR A 95 8.264 -1.665 -8.910 1.00 0.00 C ATOM 1528 OG1 THR A 95 8.395 -0.274 -8.586 1.00 0.00 O ATOM 1529 CG2 THR A 95 7.867 -2.436 -7.657 1.00 0.00 C ATOM 0 H THR A 95 9.627 -4.272 -9.230 1.00 0.00 H new ATOM 0 HA THR A 95 9.850 -1.595 -10.371 1.00 0.00 H new ATOM 0 HB THR A 95 7.487 -1.792 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.552 0.055 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.936 -2.030 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.727 -3.488 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.653 -2.342 -6.908 1.00 0.00 H new ATOM 1537 N GLY A 96 11.314 -0.987 -8.312 1.00 0.00 N ATOM 1538 CA GLY A 96 12.369 -0.847 -7.332 1.00 0.00 C ATOM 1539 C GLY A 96 13.575 -0.139 -7.895 1.00 0.00 C ATOM 1540 O GLY A 96 14.711 -0.582 -7.717 1.00 0.00 O ATOM 0 H GLY A 96 11.101 -0.142 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.993 -0.293 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.663 -1.833 -6.973 1.00 0.00 H new ATOM 1544 N GLY A 97 13.335 0.960 -8.581 1.00 0.00 N ATOM 1545 CA GLY A 97 14.403 1.725 -9.168 1.00 0.00 C ATOM 1546 C GLY A 97 13.939 3.107 -9.544 1.00 0.00 C ATOM 1547 O GLY A 97 14.754 4.047 -9.510 1.00 0.00 O ATOM 1548 OXT GLY A 97 12.739 3.267 -9.855 1.00 0.00 O ATOM 0 H GLY A 97 12.403 1.340 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.233 1.796 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.778 1.211 -10.053 1.00 0.00 H new TER 1552 GLY A 97