USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 GLN : amide:sc= 1.12 K(o=1.5,f=-1.2!) USER MOD Set 1.2: A 41 TYR OH : rot 152:sc= 1.2 USER MOD Set 1.3: A 62 GLN : amide:sc= -0.852 K(o=1.5,f=0.44) USER MOD Single : A 1 GLY N :NH3+ -141:sc= -0.126 (180deg=-1.06) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -90:sc= -1.76 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 21 ASN : amide:sc= -2.71 K(o=-2.7,f=-6.3!) USER MOD Single : A 23 MET CE :methyl 160:sc= -4.4! (180deg=-5.98!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -144:sc= 0.489 (180deg=0.0627) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 174:sc= -1.02 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0982 USER MOD Single : A 76 GLN : amide:sc= -3.68! C(o=-3.7!,f=-12!) USER MOD Single : A 83 MET CE :methyl -151:sc= -4.1! (180deg=-8.04!) USER MOD Single : A 84 THR OG1 : rot 78:sc= 0.178 USER MOD Single : A 86 THR OG1 : rot -104:sc= -2.34! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -3.7! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.673 5.682 -15.516 1.00 0.00 N ATOM 2 CA GLY A 1 -0.371 6.574 -15.044 1.00 0.00 C ATOM 3 C GLY A 1 -1.751 5.934 -15.200 1.00 0.00 C ATOM 4 O GLY A 1 -2.486 6.257 -16.133 1.00 0.00 O ATOM 0 H1 GLY A 1 1.497 5.748 -14.885 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.318 4.704 -15.521 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.952 5.954 -16.480 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.197 6.821 -13.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.335 7.509 -15.602 1.00 0.00 H new ATOM 8 N PRO A 2 -2.070 5.015 -14.251 1.00 0.00 N ATOM 9 CA PRO A 2 -3.349 4.326 -14.274 1.00 0.00 C ATOM 10 C PRO A 2 -4.476 5.250 -13.807 1.00 0.00 C ATOM 11 O PRO A 2 -4.221 6.349 -13.317 1.00 0.00 O ATOM 12 CB PRO A 2 -3.161 3.116 -13.373 1.00 0.00 C ATOM 13 CG PRO A 2 -1.943 3.420 -12.517 1.00 0.00 C ATOM 14 CD PRO A 2 -1.223 4.606 -13.133 1.00 0.00 C ATOM 0 HA PRO A 2 -3.643 4.016 -15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.042 2.950 -12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.009 2.211 -13.961 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.243 3.645 -11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.283 2.554 -12.472 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.102 5.414 -12.412 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.225 4.330 -13.473 1.00 0.00 H new ATOM 22 N LEU A 3 -5.700 4.769 -13.977 1.00 0.00 N ATOM 23 CA LEU A 3 -6.867 5.537 -13.581 1.00 0.00 C ATOM 24 C LEU A 3 -8.014 4.580 -13.253 1.00 0.00 C ATOM 25 O LEU A 3 -7.853 3.362 -13.328 1.00 0.00 O ATOM 26 CB LEU A 3 -7.217 6.572 -14.652 1.00 0.00 C ATOM 27 CG LEU A 3 -7.245 6.061 -16.093 1.00 0.00 C ATOM 28 CD1 LEU A 3 -5.852 5.630 -16.551 1.00 0.00 C ATOM 29 CD2 LEU A 3 -8.277 4.942 -16.258 1.00 0.00 C ATOM 0 H LEU A 3 -5.908 3.857 -14.384 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.658 6.108 -12.676 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.195 6.992 -14.417 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.496 7.388 -14.590 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.554 6.882 -16.740 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.902 5.271 -17.579 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.172 6.480 -16.496 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.488 4.831 -15.905 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.277 4.596 -17.292 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.023 4.113 -15.598 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.267 5.319 -16.002 1.00 0.00 H new ATOM 41 N GLY A 4 -9.147 5.166 -12.893 1.00 0.00 N ATOM 42 CA GLY A 4 -10.321 4.380 -12.553 1.00 0.00 C ATOM 43 C GLY A 4 -10.499 3.212 -13.525 1.00 0.00 C ATOM 44 O GLY A 4 -10.654 3.417 -14.727 1.00 0.00 O ATOM 0 H GLY A 4 -9.277 6.176 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.227 4.000 -11.536 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.207 5.015 -12.575 1.00 0.00 H new ATOM 48 N SER A 5 -10.473 2.011 -12.966 1.00 0.00 N ATOM 49 CA SER A 5 -10.629 0.808 -13.766 1.00 0.00 C ATOM 50 C SER A 5 -12.026 0.220 -13.559 1.00 0.00 C ATOM 51 O SER A 5 -12.911 0.404 -14.393 1.00 0.00 O ATOM 52 CB SER A 5 -9.559 -0.229 -13.421 1.00 0.00 C ATOM 53 OG SER A 5 -8.335 0.018 -14.106 1.00 0.00 O ATOM 0 H SER A 5 -10.346 1.845 -11.968 1.00 0.00 H new ATOM 0 HA SER A 5 -10.507 1.078 -14.815 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.380 -0.221 -12.346 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.923 -1.224 -13.677 1.00 0.00 H new ATOM 0 HG SER A 5 -7.677 -0.665 -13.857 1.00 0.00 H new ATOM 59 N LEU A 6 -12.180 -0.477 -12.445 1.00 0.00 N ATOM 60 CA LEU A 6 -13.454 -1.095 -12.116 1.00 0.00 C ATOM 61 C LEU A 6 -13.692 -0.992 -10.608 1.00 0.00 C ATOM 62 O LEU A 6 -13.026 -0.221 -9.921 1.00 0.00 O ATOM 63 CB LEU A 6 -13.509 -2.526 -12.653 1.00 0.00 C ATOM 64 CG LEU A 6 -14.493 -2.775 -13.798 1.00 0.00 C ATOM 65 CD1 LEU A 6 -14.123 -4.043 -14.573 1.00 0.00 C ATOM 66 CD2 LEU A 6 -15.934 -2.818 -13.283 1.00 0.00 C ATOM 0 H LEU A 6 -11.443 -0.629 -11.756 1.00 0.00 H new ATOM 0 HA LEU A 6 -14.272 -0.565 -12.604 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.511 -2.805 -12.991 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -13.764 -3.193 -11.829 1.00 0.00 H new ATOM 0 HG LEU A 6 -14.425 -1.940 -14.495 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.838 -4.197 -15.381 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.122 -3.935 -14.990 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -14.146 -4.900 -13.900 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -16.613 -2.996 -14.117 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -16.036 -3.622 -12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -16.180 -1.867 -12.811 1.00 0.00 H new ATOM 78 N ARG A 7 -14.644 -1.785 -10.137 1.00 0.00 N ATOM 79 CA ARG A 7 -14.976 -1.796 -8.723 1.00 0.00 C ATOM 80 C ARG A 7 -13.837 -2.415 -7.911 1.00 0.00 C ATOM 81 O ARG A 7 -12.834 -2.849 -8.477 1.00 0.00 O ATOM 82 CB ARG A 7 -16.263 -2.585 -8.466 1.00 0.00 C ATOM 83 CG ARG A 7 -17.485 -1.822 -8.979 1.00 0.00 C ATOM 84 CD ARG A 7 -18.139 -1.014 -7.855 1.00 0.00 C ATOM 85 NE ARG A 7 -17.666 0.388 -7.900 1.00 0.00 N ATOM 86 CZ ARG A 7 -18.107 1.303 -8.774 1.00 0.00 C ATOM 87 NH1 ARG A 7 -19.035 0.969 -9.681 1.00 0.00 N ATOM 88 NH2 ARG A 7 -17.622 2.551 -8.741 1.00 0.00 N ATOM 0 H ARG A 7 -15.195 -2.424 -10.710 1.00 0.00 H new ATOM 0 HA ARG A 7 -15.126 -0.762 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.203 -3.556 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.370 -2.775 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.188 -1.153 -9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.208 -2.524 -9.395 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -19.224 -1.044 -7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.898 -1.457 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 7 -16.960 0.676 -7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.405 0.019 -9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.371 1.665 -10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -16.916 2.806 -8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -17.958 3.247 -9.407 1.00 0.00 H new ATOM 102 N LYS A 8 -14.027 -2.434 -6.601 1.00 0.00 N ATOM 103 CA LYS A 8 -13.027 -2.992 -5.707 1.00 0.00 C ATOM 104 C LYS A 8 -12.468 -4.280 -6.315 1.00 0.00 C ATOM 105 O LYS A 8 -13.225 -5.134 -6.774 1.00 0.00 O ATOM 106 CB LYS A 8 -13.606 -3.177 -4.304 1.00 0.00 C ATOM 107 CG LYS A 8 -12.639 -2.656 -3.239 1.00 0.00 C ATOM 108 CD LYS A 8 -12.520 -1.131 -3.305 1.00 0.00 C ATOM 109 CE LYS A 8 -11.064 -0.704 -3.512 1.00 0.00 C ATOM 110 NZ LYS A 8 -11.001 0.687 -4.015 1.00 0.00 N ATOM 0 H LYS A 8 -14.859 -2.072 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.191 -2.302 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.557 -2.649 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.812 -4.233 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.986 -2.955 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.657 -3.108 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.134 -0.749 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.904 -0.692 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.518 -0.783 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.578 -1.376 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.007 0.962 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.505 0.751 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.446 1.326 -3.326 1.00 0.00 H new ATOM 124 N GLU A 9 -11.147 -4.378 -6.299 1.00 0.00 N ATOM 125 CA GLU A 9 -10.477 -5.548 -6.843 1.00 0.00 C ATOM 126 C GLU A 9 -8.966 -5.441 -6.631 1.00 0.00 C ATOM 127 O GLU A 9 -8.435 -4.345 -6.465 1.00 0.00 O ATOM 128 CB GLU A 9 -10.812 -5.732 -8.324 1.00 0.00 C ATOM 129 CG GLU A 9 -10.145 -4.649 -9.176 1.00 0.00 C ATOM 130 CD GLU A 9 -10.486 -4.828 -10.656 1.00 0.00 C ATOM 131 OE1 GLU A 9 -11.662 -4.586 -11.001 1.00 0.00 O ATOM 132 OE2 GLU A 9 -9.561 -5.202 -11.409 1.00 0.00 O ATOM 0 H GLU A 9 -10.522 -3.667 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.837 -6.429 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.481 -6.716 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.892 -5.695 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.472 -3.665 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.064 -4.689 -9.041 1.00 0.00 H new ATOM 139 N PRO A 10 -8.300 -6.626 -6.644 1.00 0.00 N ATOM 140 CA PRO A 10 -6.859 -6.677 -6.456 1.00 0.00 C ATOM 141 C PRO A 10 -6.123 -6.210 -7.713 1.00 0.00 C ATOM 142 O PRO A 10 -6.380 -6.710 -8.808 1.00 0.00 O ATOM 143 CB PRO A 10 -6.559 -8.123 -6.095 1.00 0.00 C ATOM 144 CG PRO A 10 -7.768 -8.924 -6.548 1.00 0.00 C ATOM 145 CD PRO A 10 -8.895 -7.946 -6.838 1.00 0.00 C ATOM 0 HA PRO A 10 -6.515 -6.004 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.652 -8.470 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.397 -8.233 -5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.529 -9.505 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.067 -9.633 -5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.271 -8.065 -7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.738 -8.103 -6.165 1.00 0.00 H new ATOM 153 N GLU A 11 -5.226 -5.255 -7.516 1.00 0.00 N ATOM 154 CA GLU A 11 -4.454 -4.716 -8.621 1.00 0.00 C ATOM 155 C GLU A 11 -3.472 -3.656 -8.116 1.00 0.00 C ATOM 156 O GLU A 11 -3.003 -3.731 -6.980 1.00 0.00 O ATOM 157 CB GLU A 11 -5.370 -4.142 -9.704 1.00 0.00 C ATOM 158 CG GLU A 11 -4.799 -4.401 -11.099 1.00 0.00 C ATOM 159 CD GLU A 11 -5.688 -5.367 -11.885 1.00 0.00 C ATOM 160 OE1 GLU A 11 -6.011 -6.431 -11.316 1.00 0.00 O ATOM 161 OE2 GLU A 11 -6.024 -5.018 -13.038 1.00 0.00 O ATOM 0 H GLU A 11 -5.017 -4.841 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.883 -5.529 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.360 -4.591 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.493 -3.070 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.712 -3.459 -11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.794 -4.814 -11.013 1.00 0.00 H new ATOM 168 N ILE A 12 -3.194 -2.692 -8.982 1.00 0.00 N ATOM 169 CA ILE A 12 -2.278 -1.618 -8.636 1.00 0.00 C ATOM 170 C ILE A 12 -3.078 -0.393 -8.192 1.00 0.00 C ATOM 171 O ILE A 12 -3.867 0.151 -8.964 1.00 0.00 O ATOM 172 CB ILE A 12 -1.318 -1.338 -9.796 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.390 -0.167 -9.468 1.00 0.00 C ATOM 174 CG2 ILE A 12 -2.085 -1.114 -11.099 1.00 0.00 C ATOM 175 CD1 ILE A 12 -0.999 1.159 -9.928 1.00 0.00 C ATOM 0 H ILE A 12 -3.587 -2.632 -9.922 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.650 -1.910 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.689 -2.217 -9.940 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.206 -0.134 -8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.575 -0.316 -9.953 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.380 -0.917 -11.907 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.669 -2.004 -11.335 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.754 -0.261 -10.985 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.320 1.976 -9.683 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.160 1.131 -11.006 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.952 1.316 -9.423 1.00 0.00 H new ATOM 187 N ILE A 13 -2.850 0.005 -6.949 1.00 0.00 N ATOM 188 CA ILE A 13 -3.541 1.156 -6.393 1.00 0.00 C ATOM 189 C ILE A 13 -2.555 2.317 -6.250 1.00 0.00 C ATOM 190 O ILE A 13 -1.347 2.103 -6.168 1.00 0.00 O ATOM 191 CB ILE A 13 -4.242 0.779 -5.086 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.955 -0.570 -5.214 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.196 1.890 -4.635 1.00 0.00 C ATOM 194 CD1 ILE A 13 -6.068 -0.505 -6.260 1.00 0.00 C ATOM 0 H ILE A 13 -2.196 -0.449 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.330 1.489 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.483 0.670 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.236 -1.341 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.374 -0.857 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.681 1.597 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.634 2.810 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.952 2.054 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.558 -1.476 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.798 0.249 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.642 -0.242 -7.228 1.00 0.00 H new ATOM 206 N THR A 14 -3.109 3.521 -6.222 1.00 0.00 N ATOM 207 CA THR A 14 -2.294 4.716 -6.090 1.00 0.00 C ATOM 208 C THR A 14 -2.930 5.689 -5.094 1.00 0.00 C ATOM 209 O THR A 14 -4.147 5.869 -5.091 1.00 0.00 O ATOM 210 CB THR A 14 -2.101 5.313 -7.484 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.539 6.599 -7.238 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.428 5.615 -8.182 1.00 0.00 C ATOM 0 H THR A 14 -4.112 3.694 -6.288 1.00 0.00 H new ATOM 0 HA THR A 14 -1.311 4.481 -5.683 1.00 0.00 H new ATOM 0 HB THR A 14 -1.518 4.623 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.258 7.258 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.233 6.037 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.001 4.694 -8.289 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.997 6.330 -7.588 1.00 0.00 H new ATOM 220 N VAL A 15 -2.079 6.288 -4.276 1.00 0.00 N ATOM 221 CA VAL A 15 -2.544 7.239 -3.279 1.00 0.00 C ATOM 222 C VAL A 15 -1.757 8.543 -3.418 1.00 0.00 C ATOM 223 O VAL A 15 -0.575 8.599 -3.079 1.00 0.00 O ATOM 224 CB VAL A 15 -2.440 6.622 -1.882 1.00 0.00 C ATOM 225 CG1 VAL A 15 -3.797 6.634 -1.175 1.00 0.00 C ATOM 226 CG2 VAL A 15 -1.868 5.205 -1.948 1.00 0.00 C ATOM 0 H VAL A 15 -1.071 6.134 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.596 7.477 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.752 7.233 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.695 6.190 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.148 7.662 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.516 6.059 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.805 4.791 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.518 4.578 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.873 5.235 -2.391 1.00 0.00 H new ATOM 236 N THR A 16 -2.443 9.560 -3.916 1.00 0.00 N ATOM 237 CA THR A 16 -1.823 10.861 -4.104 1.00 0.00 C ATOM 238 C THR A 16 -1.954 11.704 -2.835 1.00 0.00 C ATOM 239 O THR A 16 -2.885 11.511 -2.051 1.00 0.00 O ATOM 240 CB THR A 16 -2.455 11.513 -5.335 1.00 0.00 C ATOM 241 OG1 THR A 16 -2.393 10.500 -6.336 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.601 12.649 -5.900 1.00 0.00 C ATOM 0 H THR A 16 -3.423 9.510 -4.195 1.00 0.00 H new ATOM 0 HA THR A 16 -0.752 10.766 -4.283 1.00 0.00 H new ATOM 0 HB THR A 16 -3.442 11.896 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.784 10.838 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.095 13.077 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.473 13.420 -5.141 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.625 12.261 -6.190 1.00 0.00 H new ATOM 250 N LEU A 17 -1.013 12.620 -2.669 1.00 0.00 N ATOM 251 CA LEU A 17 -1.014 13.492 -1.507 1.00 0.00 C ATOM 252 C LEU A 17 -1.863 14.728 -1.804 1.00 0.00 C ATOM 253 O LEU A 17 -1.365 15.717 -2.339 1.00 0.00 O ATOM 254 CB LEU A 17 0.420 13.821 -1.084 1.00 0.00 C ATOM 255 CG LEU A 17 1.052 12.870 -0.062 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.510 13.631 1.183 1.00 0.00 C ATOM 257 CD2 LEU A 17 0.098 11.725 0.282 1.00 0.00 C ATOM 0 H LEU A 17 -0.244 12.778 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.468 12.989 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.047 13.834 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.434 14.829 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 17 1.940 12.424 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.955 12.933 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.249 14.381 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.653 14.122 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.570 11.064 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.821 12.132 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.136 11.162 -0.622 1.00 0.00 H new ATOM 269 N LYS A 18 -3.136 14.632 -1.441 1.00 0.00 N ATOM 270 CA LYS A 18 -4.061 15.732 -1.662 1.00 0.00 C ATOM 271 C LYS A 18 -3.820 16.815 -0.609 1.00 0.00 C ATOM 272 O LYS A 18 -3.457 17.941 -0.944 1.00 0.00 O ATOM 273 CB LYS A 18 -5.502 15.218 -1.697 1.00 0.00 C ATOM 274 CG LYS A 18 -6.446 16.275 -2.275 1.00 0.00 C ATOM 275 CD LYS A 18 -7.839 15.691 -2.521 1.00 0.00 C ATOM 276 CE LYS A 18 -8.726 16.686 -3.270 1.00 0.00 C ATOM 277 NZ LYS A 18 -8.877 16.282 -4.686 1.00 0.00 N ATOM 0 H LYS A 18 -3.547 13.811 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.885 16.190 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.554 14.311 -2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.822 14.951 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.518 17.118 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.039 16.659 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.754 14.769 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.302 15.431 -1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.705 16.739 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.291 17.684 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.482 16.968 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.942 16.254 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.313 15.339 -4.733 1.00 0.00 H new ATOM 291 N LYS A 19 -4.031 16.436 0.643 1.00 0.00 N ATOM 292 CA LYS A 19 -3.840 17.362 1.747 1.00 0.00 C ATOM 293 C LYS A 19 -2.358 17.408 2.118 1.00 0.00 C ATOM 294 O LYS A 19 -1.954 18.181 2.987 1.00 0.00 O ATOM 295 CB LYS A 19 -4.754 16.995 2.918 1.00 0.00 C ATOM 296 CG LYS A 19 -4.757 18.096 3.979 1.00 0.00 C ATOM 297 CD LYS A 19 -5.810 17.822 5.054 1.00 0.00 C ATOM 298 CE LYS A 19 -5.151 17.486 6.393 1.00 0.00 C ATOM 299 NZ LYS A 19 -6.166 17.042 7.373 1.00 0.00 N ATOM 0 H LYS A 19 -4.332 15.501 0.917 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.127 18.371 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.769 16.833 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.421 16.057 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.772 18.164 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.956 19.059 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.453 18.695 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.448 16.996 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.406 16.703 6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.625 18.361 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.702 16.818 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.862 17.801 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.649 16.195 7.013 1.00 0.00 H new ATOM 313 N GLN A 20 -1.584 16.573 1.440 1.00 0.00 N ATOM 314 CA GLN A 20 -0.153 16.509 1.688 1.00 0.00 C ATOM 315 C GLN A 20 0.120 16.311 3.181 1.00 0.00 C ATOM 316 O GLN A 20 1.026 16.928 3.738 1.00 0.00 O ATOM 317 CB GLN A 20 0.550 17.761 1.164 1.00 0.00 C ATOM 318 CG GLN A 20 1.101 17.534 -0.245 1.00 0.00 C ATOM 319 CD GLN A 20 1.702 18.820 -0.815 1.00 0.00 C ATOM 320 OE1 GLN A 20 1.263 19.921 -0.525 1.00 0.00 O ATOM 321 NE2 GLN A 20 2.726 18.620 -1.639 1.00 0.00 N ATOM 0 H GLN A 20 -1.921 15.935 0.719 1.00 0.00 H new ATOM 0 HA GLN A 20 0.251 15.652 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.149 18.597 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.363 18.034 1.836 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.861 16.753 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.303 17.181 -0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.042 17.671 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.195 19.416 -2.072 1.00 0.00 H new ATOM 330 N ASN A 21 -0.683 15.448 3.786 1.00 0.00 N ATOM 331 CA ASN A 21 -0.539 15.161 5.204 1.00 0.00 C ATOM 332 C ASN A 21 0.403 13.968 5.385 1.00 0.00 C ATOM 333 O ASN A 21 0.205 13.148 6.279 1.00 0.00 O ATOM 334 CB ASN A 21 -1.887 14.799 5.832 1.00 0.00 C ATOM 335 CG ASN A 21 -1.776 14.708 7.355 1.00 0.00 C ATOM 336 OD1 ASN A 21 -1.768 13.638 7.940 1.00 0.00 O ATOM 337 ND2 ASN A 21 -1.688 15.889 7.961 1.00 0.00 N ATOM 0 H ASN A 21 -1.435 14.939 3.321 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.142 16.052 5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.631 15.549 5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.235 13.847 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.608 15.936 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.701 16.747 7.410 1.00 0.00 H new ATOM 344 N GLY A 22 1.406 13.911 4.522 1.00 0.00 N ATOM 345 CA GLY A 22 2.380 12.833 4.579 1.00 0.00 C ATOM 346 C GLY A 22 1.839 11.573 3.901 1.00 0.00 C ATOM 347 O GLY A 22 2.443 11.062 2.958 1.00 0.00 O ATOM 0 H GLY A 22 1.566 14.592 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.303 13.145 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.626 12.615 5.618 1.00 0.00 H new ATOM 351 N MET A 23 0.707 11.107 4.407 1.00 0.00 N ATOM 352 CA MET A 23 0.078 9.914 3.862 1.00 0.00 C ATOM 353 C MET A 23 -0.990 9.376 4.814 1.00 0.00 C ATOM 354 O MET A 23 -2.185 9.555 4.579 1.00 0.00 O ATOM 355 CB MET A 23 1.140 8.840 3.625 1.00 0.00 C ATOM 356 CG MET A 23 1.241 8.485 2.140 1.00 0.00 C ATOM 357 SD MET A 23 2.906 8.762 1.559 1.00 0.00 S ATOM 358 CE MET A 23 3.573 7.115 1.738 1.00 0.00 C ATOM 0 H MET A 23 0.208 11.533 5.188 1.00 0.00 H new ATOM 0 HA MET A 23 -0.401 10.176 2.919 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.106 9.194 3.984 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.894 7.947 4.200 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.962 7.442 1.987 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.541 9.090 1.564 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.458 7.011 1.111 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.844 6.943 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.824 6.384 1.433 1.00 0.00 H new ATOM 368 N GLY A 24 -0.524 8.724 5.870 1.00 0.00 N ATOM 369 CA GLY A 24 -1.425 8.156 6.859 1.00 0.00 C ATOM 370 C GLY A 24 -1.616 6.656 6.630 1.00 0.00 C ATOM 371 O GLY A 24 -2.212 5.969 7.457 1.00 0.00 O ATOM 0 H GLY A 24 0.467 8.577 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.027 8.327 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.390 8.661 6.809 1.00 0.00 H new ATOM 375 N LEU A 25 -1.094 6.190 5.504 1.00 0.00 N ATOM 376 CA LEU A 25 -1.199 4.784 5.157 1.00 0.00 C ATOM 377 C LEU A 25 -0.450 3.949 6.196 1.00 0.00 C ATOM 378 O LEU A 25 0.470 4.442 6.849 1.00 0.00 O ATOM 379 CB LEU A 25 -0.725 4.549 3.722 1.00 0.00 C ATOM 380 CG LEU A 25 -1.777 4.738 2.628 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.602 3.701 1.515 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.190 4.713 3.216 1.00 0.00 C ATOM 0 H LEU A 25 -0.597 6.762 4.821 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.240 4.463 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.106 5.225 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.335 3.534 3.651 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.631 5.721 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.362 3.857 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.612 3.808 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.707 2.699 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.919 4.850 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.363 3.755 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.295 5.517 3.944 1.00 0.00 H new ATOM 394 N SER A 26 -0.867 2.697 6.318 1.00 0.00 N ATOM 395 CA SER A 26 -0.246 1.790 7.268 1.00 0.00 C ATOM 396 C SER A 26 -0.192 0.377 6.683 1.00 0.00 C ATOM 397 O SER A 26 -1.212 -0.304 6.597 1.00 0.00 O ATOM 398 CB SER A 26 -1.003 1.783 8.599 1.00 0.00 C ATOM 399 OG SER A 26 -0.117 1.758 9.716 1.00 0.00 O ATOM 0 H SER A 26 -1.628 2.289 5.774 1.00 0.00 H new ATOM 0 HA SER A 26 0.769 2.138 7.459 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.638 2.667 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.660 0.914 8.638 1.00 0.00 H new ATOM 0 HG SER A 26 -0.637 1.756 10.546 1.00 0.00 H new ATOM 405 N ILE A 27 1.012 -0.020 6.295 1.00 0.00 N ATOM 406 CA ILE A 27 1.215 -1.339 5.718 1.00 0.00 C ATOM 407 C ILE A 27 2.317 -2.064 6.491 1.00 0.00 C ATOM 408 O ILE A 27 3.032 -1.451 7.284 1.00 0.00 O ATOM 409 CB ILE A 27 1.484 -1.232 4.216 1.00 0.00 C ATOM 410 CG1 ILE A 27 2.982 -1.323 3.921 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.861 0.037 3.636 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.240 -1.403 2.415 1.00 0.00 C ATOM 0 H ILE A 27 1.856 0.548 6.369 1.00 0.00 H new ATOM 0 HA ILE A 27 0.311 -1.940 5.813 1.00 0.00 H new ATOM 0 HB ILE A 27 1.006 -2.078 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.491 -0.453 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.400 -2.201 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.067 0.088 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.217 0.020 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.287 0.910 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.313 -1.467 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.749 -2.287 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.842 -0.512 1.930 1.00 0.00 H new ATOM 424 N VAL A 28 2.422 -3.361 6.235 1.00 0.00 N ATOM 425 CA VAL A 28 3.426 -4.175 6.896 1.00 0.00 C ATOM 426 C VAL A 28 3.823 -5.333 5.979 1.00 0.00 C ATOM 427 O VAL A 28 3.098 -5.663 5.041 1.00 0.00 O ATOM 428 CB VAL A 28 2.908 -4.642 8.259 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.829 -5.703 8.862 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.732 -3.459 9.213 1.00 0.00 C ATOM 0 H VAL A 28 1.827 -3.867 5.579 1.00 0.00 H new ATOM 0 HA VAL A 28 4.325 -3.590 7.088 1.00 0.00 H new ATOM 0 HB VAL A 28 1.929 -5.098 8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.438 -6.017 9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.879 -6.563 8.194 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.828 -5.286 8.992 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.363 -3.818 10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.691 -2.961 9.356 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.016 -2.754 8.790 1.00 0.00 H new ATOM 440 N ALA A 29 4.971 -5.919 6.281 1.00 0.00 N ATOM 441 CA ALA A 29 5.474 -7.034 5.495 1.00 0.00 C ATOM 442 C ALA A 29 5.928 -8.152 6.435 1.00 0.00 C ATOM 443 O ALA A 29 6.414 -7.885 7.533 1.00 0.00 O ATOM 444 CB ALA A 29 6.599 -6.547 4.578 1.00 0.00 C ATOM 0 H ALA A 29 5.569 -5.643 7.060 1.00 0.00 H new ATOM 0 HA ALA A 29 4.688 -7.440 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.976 -7.383 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.216 -5.776 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.408 -6.135 5.182 1.00 0.00 H new ATOM 450 N ALA A 30 5.755 -9.379 5.969 1.00 0.00 N ATOM 451 CA ALA A 30 6.142 -10.539 6.754 1.00 0.00 C ATOM 452 C ALA A 30 7.302 -11.255 6.061 1.00 0.00 C ATOM 453 O ALA A 30 7.359 -11.309 4.834 1.00 0.00 O ATOM 454 CB ALA A 30 4.929 -11.450 6.952 1.00 0.00 C ATOM 0 H ALA A 30 5.352 -9.596 5.057 1.00 0.00 H new ATOM 0 HA ALA A 30 6.486 -10.235 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.220 -12.320 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.145 -10.903 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.557 -11.777 5.981 1.00 0.00 H new ATOM 460 N LYS A 31 8.202 -11.787 6.878 1.00 0.00 N ATOM 461 CA LYS A 31 9.357 -12.497 6.358 1.00 0.00 C ATOM 462 C LYS A 31 9.780 -13.575 7.358 1.00 0.00 C ATOM 463 O LYS A 31 10.287 -13.263 8.436 1.00 0.00 O ATOM 464 CB LYS A 31 10.475 -11.514 6.004 1.00 0.00 C ATOM 465 CG LYS A 31 10.760 -10.563 7.170 1.00 0.00 C ATOM 466 CD LYS A 31 10.062 -9.218 6.962 1.00 0.00 C ATOM 467 CE LYS A 31 9.508 -8.679 8.282 1.00 0.00 C ATOM 468 NZ LYS A 31 9.226 -7.229 8.173 1.00 0.00 N ATOM 0 H LYS A 31 8.153 -11.740 7.896 1.00 0.00 H new ATOM 0 HA LYS A 31 9.105 -13.006 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.381 -12.064 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.193 -10.939 5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.420 -11.013 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.835 -10.409 7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.765 -8.501 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.251 -9.332 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.596 -9.214 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.225 -8.857 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.445 -6.764 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.813 -6.817 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.221 -7.087 7.946 1.00 0.00 H new ATOM 482 N GLY A 32 9.556 -14.820 6.967 1.00 0.00 N ATOM 483 CA GLY A 32 9.907 -15.946 7.815 1.00 0.00 C ATOM 484 C GLY A 32 9.005 -16.004 9.050 1.00 0.00 C ATOM 485 O GLY A 32 8.317 -17.000 9.275 1.00 0.00 O ATOM 0 H GLY A 32 9.135 -15.074 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.816 -16.874 7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.949 -15.862 8.125 1.00 0.00 H new ATOM 489 N ALA A 33 9.038 -14.927 9.819 1.00 0.00 N ATOM 490 CA ALA A 33 8.233 -14.841 11.026 1.00 0.00 C ATOM 491 C ALA A 33 6.770 -14.609 10.641 1.00 0.00 C ATOM 492 O ALA A 33 6.479 -13.827 9.735 1.00 0.00 O ATOM 493 CB ALA A 33 8.781 -13.735 11.930 1.00 0.00 C ATOM 0 H ALA A 33 9.611 -14.104 9.630 1.00 0.00 H new ATOM 0 HA ALA A 33 8.283 -15.774 11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.176 -13.672 12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.813 -13.962 12.198 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.745 -12.782 11.402 1.00 0.00 H new ATOM 499 N GLY A 34 5.888 -15.299 11.349 1.00 0.00 N ATOM 500 CA GLY A 34 4.463 -15.177 11.095 1.00 0.00 C ATOM 501 C GLY A 34 4.071 -15.914 9.812 1.00 0.00 C ATOM 502 O GLY A 34 3.330 -16.894 9.857 1.00 0.00 O ATOM 0 H GLY A 34 6.133 -15.945 12.099 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.903 -15.583 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.193 -14.124 11.011 1.00 0.00 H new ATOM 506 N GLN A 35 4.586 -15.413 8.699 1.00 0.00 N ATOM 507 CA GLN A 35 4.299 -16.012 7.406 1.00 0.00 C ATOM 508 C GLN A 35 5.595 -16.452 6.725 1.00 0.00 C ATOM 509 O GLN A 35 6.217 -15.673 6.002 1.00 0.00 O ATOM 510 CB GLN A 35 3.512 -15.045 6.517 1.00 0.00 C ATOM 511 CG GLN A 35 2.210 -15.685 6.030 1.00 0.00 C ATOM 512 CD GLN A 35 1.755 -15.063 4.709 1.00 0.00 C ATOM 513 OE1 GLN A 35 2.154 -13.971 4.336 1.00 0.00 O ATOM 514 NE2 GLN A 35 0.900 -15.817 4.021 1.00 0.00 N ATOM 0 H GLN A 35 5.200 -14.599 8.665 1.00 0.00 H new ATOM 0 HA GLN A 35 3.679 -16.894 7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.288 -14.134 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.121 -14.754 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.354 -16.758 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.433 -15.556 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.606 -16.721 4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.539 -15.490 3.125 1.00 0.00 H new ATOM 523 N ASP A 36 5.966 -17.698 6.979 1.00 0.00 N ATOM 524 CA ASP A 36 7.178 -18.251 6.399 1.00 0.00 C ATOM 525 C ASP A 36 7.334 -17.738 4.966 1.00 0.00 C ATOM 526 O ASP A 36 8.451 -17.563 4.482 1.00 0.00 O ATOM 527 CB ASP A 36 7.118 -19.779 6.351 1.00 0.00 C ATOM 528 CG ASP A 36 5.740 -20.362 6.036 1.00 0.00 C ATOM 529 OD1 ASP A 36 5.462 -20.544 4.831 1.00 0.00 O ATOM 530 OD2 ASP A 36 4.995 -20.614 7.008 1.00 0.00 O ATOM 0 H ASP A 36 5.449 -18.341 7.579 1.00 0.00 H new ATOM 0 HA ASP A 36 8.019 -17.942 7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.825 -20.132 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.451 -20.171 7.312 1.00 0.00 H new ATOM 535 N LYS A 37 6.196 -17.512 4.325 1.00 0.00 N ATOM 536 CA LYS A 37 6.190 -17.022 2.958 1.00 0.00 C ATOM 537 C LYS A 37 6.040 -15.500 2.966 1.00 0.00 C ATOM 538 O LYS A 37 4.948 -14.981 3.196 1.00 0.00 O ATOM 539 CB LYS A 37 5.119 -17.742 2.135 1.00 0.00 C ATOM 540 CG LYS A 37 5.670 -18.171 0.775 1.00 0.00 C ATOM 541 CD LYS A 37 5.801 -19.692 0.691 1.00 0.00 C ATOM 542 CE LYS A 37 4.854 -20.269 -0.364 1.00 0.00 C ATOM 543 NZ LYS A 37 5.365 -19.989 -1.725 1.00 0.00 N ATOM 0 H LYS A 37 5.271 -17.660 4.729 1.00 0.00 H new ATOM 0 HA LYS A 37 7.138 -17.246 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.764 -18.617 2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.261 -17.085 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.011 -17.815 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.644 -17.709 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.829 -19.959 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.580 -20.133 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.752 -21.345 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.861 -19.836 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.712 -20.387 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.439 -18.961 -1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.303 -20.422 -1.839 1.00 0.00 H new ATOM 557 N LEU A 38 7.152 -14.826 2.712 1.00 0.00 N ATOM 558 CA LEU A 38 7.158 -13.372 2.686 1.00 0.00 C ATOM 559 C LEU A 38 5.874 -12.874 2.018 1.00 0.00 C ATOM 560 O LEU A 38 5.392 -13.479 1.062 1.00 0.00 O ATOM 561 CB LEU A 38 8.437 -12.853 2.027 1.00 0.00 C ATOM 562 CG LEU A 38 8.390 -11.412 1.515 1.00 0.00 C ATOM 563 CD1 LEU A 38 8.518 -10.416 2.667 1.00 0.00 C ATOM 564 CD2 LEU A 38 9.448 -11.181 0.436 1.00 0.00 C ATOM 0 H LEU A 38 8.056 -15.259 2.522 1.00 0.00 H new ATOM 0 HA LEU A 38 7.166 -12.972 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.252 -12.936 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.682 -13.507 1.190 1.00 0.00 H new ATOM 0 HG LEU A 38 7.417 -11.244 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.482 -9.400 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.697 -10.564 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.467 -10.573 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.394 -10.149 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.438 -11.373 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.268 -11.856 -0.401 1.00 0.00 H new ATOM 576 N GLY A 39 5.359 -11.774 2.548 1.00 0.00 N ATOM 577 CA GLY A 39 4.141 -11.187 2.016 1.00 0.00 C ATOM 578 C GLY A 39 3.853 -9.834 2.669 1.00 0.00 C ATOM 579 O GLY A 39 4.002 -9.681 3.881 1.00 0.00 O ATOM 0 H GLY A 39 5.763 -11.274 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.235 -11.061 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.303 -11.863 2.187 1.00 0.00 H new ATOM 583 N ILE A 40 3.448 -8.885 1.838 1.00 0.00 N ATOM 584 CA ILE A 40 3.139 -7.549 2.321 1.00 0.00 C ATOM 585 C ILE A 40 1.620 -7.380 2.400 1.00 0.00 C ATOM 586 O ILE A 40 0.885 -7.957 1.600 1.00 0.00 O ATOM 587 CB ILE A 40 3.831 -6.495 1.457 1.00 0.00 C ATOM 588 CG1 ILE A 40 5.173 -7.010 0.930 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.983 -5.175 2.217 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.453 -6.473 -0.474 1.00 0.00 C ATOM 0 H ILE A 40 3.327 -9.014 0.834 1.00 0.00 H new ATOM 0 HA ILE A 40 3.529 -7.407 3.329 1.00 0.00 H new ATOM 0 HB ILE A 40 3.199 -6.297 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.973 -6.707 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.167 -8.100 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.478 -4.443 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.998 -4.803 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.581 -5.338 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.412 -6.854 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.664 -6.798 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.483 -5.384 -0.448 1.00 0.00 H new ATOM 602 N TYR A 41 1.195 -6.586 3.371 1.00 0.00 N ATOM 603 CA TYR A 41 -0.222 -6.334 3.566 1.00 0.00 C ATOM 604 C TYR A 41 -0.457 -4.925 4.116 1.00 0.00 C ATOM 605 O TYR A 41 0.443 -4.325 4.699 1.00 0.00 O ATOM 606 CB TYR A 41 -0.695 -7.357 4.597 1.00 0.00 C ATOM 607 CG TYR A 41 -0.425 -8.810 4.204 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.152 -9.396 3.186 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.547 -9.535 4.863 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.897 -10.764 2.814 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.801 -10.903 4.490 1.00 0.00 C ATOM 612 CZ TYR A 41 0.066 -11.450 3.485 1.00 0.00 C ATOM 613 OH TYR A 41 0.307 -12.741 3.133 1.00 0.00 O ATOM 0 H TYR A 41 1.808 -6.108 4.032 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.760 -6.415 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.204 -7.152 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.766 -7.228 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.912 -8.828 2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.117 -9.077 5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.458 -11.234 2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.559 -11.482 4.997 1.00 0.00 H new ATOM 0 HH TYR A 41 1.240 -12.966 3.332 1.00 0.00 H new ATOM 623 N VAL A 42 -1.672 -4.440 3.910 1.00 0.00 N ATOM 624 CA VAL A 42 -2.039 -3.113 4.380 1.00 0.00 C ATOM 625 C VAL A 42 -2.764 -3.234 5.721 1.00 0.00 C ATOM 626 O VAL A 42 -3.770 -3.933 5.825 1.00 0.00 O ATOM 627 CB VAL A 42 -2.866 -2.392 3.313 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.409 -1.065 3.848 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.049 -2.177 2.038 1.00 0.00 C ATOM 0 H VAL A 42 -2.416 -4.941 3.424 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.149 -2.506 4.547 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.716 -3.026 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.993 -0.571 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.043 -1.254 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.578 -0.423 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.660 -1.663 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.171 -1.573 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.733 -3.142 1.642 1.00 0.00 H new ATOM 639 N LYS A 43 -2.225 -2.539 6.713 1.00 0.00 N ATOM 640 CA LYS A 43 -2.809 -2.561 8.042 1.00 0.00 C ATOM 641 C LYS A 43 -4.092 -1.726 8.045 1.00 0.00 C ATOM 642 O LYS A 43 -5.180 -2.252 8.272 1.00 0.00 O ATOM 643 CB LYS A 43 -1.783 -2.113 9.086 1.00 0.00 C ATOM 644 CG LYS A 43 -2.393 -2.114 10.489 1.00 0.00 C ATOM 645 CD LYS A 43 -1.886 -0.924 11.306 1.00 0.00 C ATOM 646 CE LYS A 43 -1.848 -1.259 12.799 1.00 0.00 C ATOM 647 NZ LYS A 43 -3.071 -0.770 13.472 1.00 0.00 N ATOM 0 H LYS A 43 -1.391 -1.958 6.622 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.088 -3.578 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.919 -2.777 9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.424 -1.113 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.480 -2.074 10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.141 -3.044 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.888 -0.644 10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.532 -0.062 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.758 -2.337 12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.968 -0.806 13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.028 -1.006 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.140 0.262 13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.906 -1.221 13.046 1.00 0.00 H new ATOM 661 N SER A 44 -3.920 -0.436 7.791 1.00 0.00 N ATOM 662 CA SER A 44 -5.051 0.477 7.761 1.00 0.00 C ATOM 663 C SER A 44 -4.563 1.905 7.510 1.00 0.00 C ATOM 664 O SER A 44 -3.359 2.150 7.436 1.00 0.00 O ATOM 665 CB SER A 44 -5.847 0.411 9.064 1.00 0.00 C ATOM 666 OG SER A 44 -5.200 1.112 10.123 1.00 0.00 O ATOM 0 H SER A 44 -3.016 -0.002 7.604 1.00 0.00 H new ATOM 0 HA SER A 44 -5.712 0.176 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.839 0.832 8.904 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.986 -0.631 9.351 1.00 0.00 H new ATOM 0 HG SER A 44 -5.742 1.047 10.937 1.00 0.00 H new ATOM 672 N VAL A 45 -5.521 2.811 7.385 1.00 0.00 N ATOM 673 CA VAL A 45 -5.204 4.208 7.144 1.00 0.00 C ATOM 674 C VAL A 45 -5.334 4.990 8.453 1.00 0.00 C ATOM 675 O VAL A 45 -6.363 4.919 9.123 1.00 0.00 O ATOM 676 CB VAL A 45 -6.091 4.761 6.027 1.00 0.00 C ATOM 677 CG1 VAL A 45 -6.012 3.882 4.778 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.539 4.911 6.501 1.00 0.00 C ATOM 0 H VAL A 45 -6.518 2.605 7.446 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.174 4.312 6.804 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.720 5.751 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.652 4.298 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.982 3.848 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.345 2.873 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.149 5.306 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.925 3.938 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.575 5.596 7.348 1.00 0.00 H new ATOM 688 N VAL A 46 -4.274 5.717 8.778 1.00 0.00 N ATOM 689 CA VAL A 46 -4.258 6.511 9.996 1.00 0.00 C ATOM 690 C VAL A 46 -5.617 7.187 10.177 1.00 0.00 C ATOM 691 O VAL A 46 -6.032 7.461 11.303 1.00 0.00 O ATOM 692 CB VAL A 46 -3.096 7.507 9.955 1.00 0.00 C ATOM 693 CG1 VAL A 46 -3.413 8.754 10.782 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.797 6.851 10.428 1.00 0.00 C ATOM 0 H VAL A 46 -3.422 5.773 8.220 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.094 5.874 10.865 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.957 7.819 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.571 9.445 10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.303 9.239 10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.591 8.468 11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.987 7.579 10.390 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.919 6.498 11.452 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.558 6.008 9.780 1.00 0.00 H new ATOM 704 N LYS A 47 -6.275 7.436 9.054 1.00 0.00 N ATOM 705 CA LYS A 47 -7.579 8.075 9.076 1.00 0.00 C ATOM 706 C LYS A 47 -7.409 9.562 9.395 1.00 0.00 C ATOM 707 O LYS A 47 -8.275 10.169 10.023 1.00 0.00 O ATOM 708 CB LYS A 47 -8.518 7.344 10.038 1.00 0.00 C ATOM 709 CG LYS A 47 -9.960 7.823 9.868 1.00 0.00 C ATOM 710 CD LYS A 47 -10.781 6.818 9.057 1.00 0.00 C ATOM 711 CE LYS A 47 -12.149 7.395 8.691 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.681 6.739 7.476 1.00 0.00 N ATOM 0 H LYS A 47 -5.929 7.206 8.123 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.051 8.011 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.464 6.270 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.194 7.512 11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.417 7.965 10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.968 8.792 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.241 6.550 8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.911 5.901 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.843 7.255 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.064 8.469 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.610 7.143 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.026 6.894 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.781 5.718 7.648 1.00 0.00 H new ATOM 726 N GLY A 48 -6.286 10.106 8.947 1.00 0.00 N ATOM 727 CA GLY A 48 -5.991 11.509 9.179 1.00 0.00 C ATOM 728 C GLY A 48 -4.848 11.984 8.279 1.00 0.00 C ATOM 729 O GLY A 48 -4.111 12.901 8.639 1.00 0.00 O ATOM 0 H GLY A 48 -5.571 9.600 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.882 12.108 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.722 11.660 10.225 1.00 0.00 H new ATOM 733 N GLY A 49 -4.734 11.336 7.129 1.00 0.00 N ATOM 734 CA GLY A 49 -3.692 11.681 6.176 1.00 0.00 C ATOM 735 C GLY A 49 -4.295 12.110 4.837 1.00 0.00 C ATOM 736 O GLY A 49 -5.513 12.093 4.666 1.00 0.00 O ATOM 0 H GLY A 49 -5.346 10.574 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.079 12.488 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.034 10.825 6.025 1.00 0.00 H new ATOM 740 N ALA A 50 -3.413 12.484 3.920 1.00 0.00 N ATOM 741 CA ALA A 50 -3.843 12.918 2.602 1.00 0.00 C ATOM 742 C ALA A 50 -4.406 11.719 1.836 1.00 0.00 C ATOM 743 O ALA A 50 -5.599 11.673 1.539 1.00 0.00 O ATOM 744 CB ALA A 50 -2.667 13.574 1.873 1.00 0.00 C ATOM 0 H ALA A 50 -2.403 12.495 4.065 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.635 13.662 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.988 13.900 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.320 14.435 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.855 12.854 1.772 1.00 0.00 H new ATOM 750 N ALA A 51 -3.523 10.780 1.536 1.00 0.00 N ATOM 751 CA ALA A 51 -3.916 9.584 0.810 1.00 0.00 C ATOM 752 C ALA A 51 -4.745 8.685 1.728 1.00 0.00 C ATOM 753 O ALA A 51 -5.256 7.651 1.297 1.00 0.00 O ATOM 754 CB ALA A 51 -2.670 8.878 0.272 1.00 0.00 C ATOM 0 H ALA A 51 -2.534 10.823 1.783 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.538 9.843 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.966 7.981 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.133 9.549 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.022 8.600 1.103 1.00 0.00 H new ATOM 760 N ASP A 52 -4.855 9.110 2.978 1.00 0.00 N ATOM 761 CA ASP A 52 -5.614 8.356 3.963 1.00 0.00 C ATOM 762 C ASP A 52 -7.106 8.642 3.779 1.00 0.00 C ATOM 763 O ASP A 52 -7.910 7.718 3.669 1.00 0.00 O ATOM 764 CB ASP A 52 -5.227 8.761 5.386 1.00 0.00 C ATOM 765 CG ASP A 52 -4.464 7.696 6.177 1.00 0.00 C ATOM 766 OD1 ASP A 52 -3.881 6.809 5.517 1.00 0.00 O ATOM 767 OD2 ASP A 52 -4.484 7.792 7.423 1.00 0.00 O ATOM 0 H ASP A 52 -4.431 9.967 3.332 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.396 7.298 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.617 9.663 5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.134 9.019 5.934 1.00 0.00 H new ATOM 772 N VAL A 53 -7.430 9.927 3.749 1.00 0.00 N ATOM 773 CA VAL A 53 -8.811 10.346 3.580 1.00 0.00 C ATOM 774 C VAL A 53 -9.185 10.272 2.099 1.00 0.00 C ATOM 775 O VAL A 53 -10.331 9.988 1.758 1.00 0.00 O ATOM 776 CB VAL A 53 -9.011 11.740 4.178 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.495 12.108 4.229 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.376 11.837 5.568 1.00 0.00 C ATOM 0 H VAL A 53 -6.760 10.691 3.839 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.482 9.676 4.118 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.509 12.457 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.608 13.103 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.907 12.099 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.028 11.384 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.532 12.838 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.836 11.104 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.307 11.639 5.494 1.00 0.00 H new ATOM 788 N ASP A 54 -8.194 10.534 1.258 1.00 0.00 N ATOM 789 CA ASP A 54 -8.405 10.501 -0.179 1.00 0.00 C ATOM 790 C ASP A 54 -8.376 9.048 -0.661 1.00 0.00 C ATOM 791 O ASP A 54 -9.326 8.576 -1.281 1.00 0.00 O ATOM 792 CB ASP A 54 -7.303 11.265 -0.915 1.00 0.00 C ATOM 793 CG ASP A 54 -7.577 11.529 -2.397 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.775 11.605 -2.747 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.583 11.648 -3.146 1.00 0.00 O ATOM 0 H ASP A 54 -7.244 10.770 1.545 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.368 10.966 -0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.148 12.221 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.372 10.704 -0.827 1.00 0.00 H new ATOM 800 N GLY A 55 -7.272 8.380 -0.356 1.00 0.00 N ATOM 801 CA GLY A 55 -7.106 6.992 -0.751 1.00 0.00 C ATOM 802 C GLY A 55 -8.290 6.143 -0.281 1.00 0.00 C ATOM 803 O GLY A 55 -8.954 5.496 -1.090 1.00 0.00 O ATOM 0 H GLY A 55 -6.485 8.774 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.015 6.927 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.181 6.598 -0.329 1.00 0.00 H new ATOM 807 N ARG A 56 -8.518 6.174 1.023 1.00 0.00 N ATOM 808 CA ARG A 56 -9.610 5.415 1.610 1.00 0.00 C ATOM 809 C ARG A 56 -9.498 3.939 1.225 1.00 0.00 C ATOM 810 O ARG A 56 -10.494 3.306 0.880 1.00 0.00 O ATOM 811 CB ARG A 56 -10.965 5.954 1.146 1.00 0.00 C ATOM 812 CG ARG A 56 -12.099 5.407 2.017 1.00 0.00 C ATOM 813 CD ARG A 56 -13.250 4.888 1.154 1.00 0.00 C ATOM 814 NE ARG A 56 -14.510 5.574 1.523 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.781 6.853 1.231 1.00 0.00 C ATOM 816 NH1 ARG A 56 -13.887 7.591 0.561 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.949 7.391 1.606 1.00 0.00 N ATOM 0 H ARG A 56 -7.966 6.713 1.690 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.541 5.517 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.961 7.043 1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.134 5.676 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.722 4.603 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.463 6.191 2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.030 5.057 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.359 3.812 1.288 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.215 5.039 2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.999 7.179 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.094 8.565 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.631 6.827 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.157 8.365 1.384 1.00 0.00 H new ATOM 831 N LEU A 57 -8.276 3.433 1.298 1.00 0.00 N ATOM 832 CA LEU A 57 -8.020 2.042 0.963 1.00 0.00 C ATOM 833 C LEU A 57 -8.605 1.142 2.053 1.00 0.00 C ATOM 834 O LEU A 57 -9.014 1.627 3.108 1.00 0.00 O ATOM 835 CB LEU A 57 -6.527 1.817 0.713 1.00 0.00 C ATOM 836 CG LEU A 57 -5.897 2.663 -0.396 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.404 2.874 -0.142 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.164 2.046 -1.771 1.00 0.00 C ATOM 0 H LEU A 57 -7.452 3.961 1.584 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.519 1.777 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.990 2.013 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.374 0.765 0.472 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.366 3.647 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.980 3.478 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.266 3.387 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.900 1.908 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.706 2.665 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.737 1.044 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.239 1.989 -1.942 1.00 0.00 H new ATOM 850 N ALA A 58 -8.622 -0.150 1.763 1.00 0.00 N ATOM 851 CA ALA A 58 -9.149 -1.120 2.706 1.00 0.00 C ATOM 852 C ALA A 58 -8.026 -1.584 3.636 1.00 0.00 C ATOM 853 O ALA A 58 -6.864 -1.630 3.237 1.00 0.00 O ATOM 854 CB ALA A 58 -9.788 -2.283 1.940 1.00 0.00 C ATOM 0 H ALA A 58 -8.279 -0.547 0.888 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.925 -0.670 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.184 -3.011 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.598 -1.906 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.037 -2.760 1.310 1.00 0.00 H new ATOM 860 N ALA A 59 -8.413 -1.915 4.858 1.00 0.00 N ATOM 861 CA ALA A 59 -7.453 -2.374 5.850 1.00 0.00 C ATOM 862 C ALA A 59 -7.371 -3.901 5.807 1.00 0.00 C ATOM 863 O ALA A 59 -8.353 -4.586 6.096 1.00 0.00 O ATOM 864 CB ALA A 59 -7.852 -1.849 7.229 1.00 0.00 C ATOM 0 H ALA A 59 -9.378 -1.875 5.185 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.459 -1.985 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.132 -2.193 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.864 -0.759 7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.844 -2.220 7.486 1.00 0.00 H new ATOM 870 N GLY A 60 -6.194 -4.390 5.445 1.00 0.00 N ATOM 871 CA GLY A 60 -5.974 -5.824 5.361 1.00 0.00 C ATOM 872 C GLY A 60 -5.676 -6.249 3.922 1.00 0.00 C ATOM 873 O GLY A 60 -5.857 -7.412 3.566 1.00 0.00 O ATOM 0 H GLY A 60 -5.383 -3.819 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.143 -6.107 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.855 -6.353 5.725 1.00 0.00 H new ATOM 877 N ASP A 61 -5.223 -5.284 3.135 1.00 0.00 N ATOM 878 CA ASP A 61 -4.899 -5.544 1.744 1.00 0.00 C ATOM 879 C ASP A 61 -3.579 -6.315 1.667 1.00 0.00 C ATOM 880 O ASP A 61 -2.888 -6.471 2.672 1.00 0.00 O ATOM 881 CB ASP A 61 -4.730 -4.239 0.964 1.00 0.00 C ATOM 882 CG ASP A 61 -5.850 -3.218 1.164 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.927 -3.640 1.636 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.604 -2.035 0.841 1.00 0.00 O ATOM 0 H ASP A 61 -5.073 -4.321 3.435 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.716 -6.120 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.784 -3.780 1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.659 -4.474 -0.098 1.00 0.00 H new ATOM 889 N GLN A 62 -3.270 -6.779 0.464 1.00 0.00 N ATOM 890 CA GLN A 62 -2.045 -7.530 0.245 1.00 0.00 C ATOM 891 C GLN A 62 -1.170 -6.825 -0.795 1.00 0.00 C ATOM 892 O GLN A 62 -1.501 -6.806 -1.980 1.00 0.00 O ATOM 893 CB GLN A 62 -2.352 -8.966 -0.180 1.00 0.00 C ATOM 894 CG GLN A 62 -1.068 -9.717 -0.544 1.00 0.00 C ATOM 895 CD GLN A 62 -1.295 -11.231 -0.525 1.00 0.00 C ATOM 896 OE1 GLN A 62 -0.603 -11.981 0.142 1.00 0.00 O ATOM 897 NE2 GLN A 62 -2.303 -11.636 -1.294 1.00 0.00 N ATOM 0 H GLN A 62 -3.846 -6.649 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.495 -7.574 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.865 -9.487 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.028 -8.959 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.730 -9.409 -1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.277 -9.455 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.843 -10.955 -1.828 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.535 -12.628 -1.350 1.00 0.00 H new ATOM 906 N LEU A 63 -0.072 -6.264 -0.314 1.00 0.00 N ATOM 907 CA LEU A 63 0.853 -5.560 -1.185 1.00 0.00 C ATOM 908 C LEU A 63 1.829 -6.563 -1.802 1.00 0.00 C ATOM 909 O LEU A 63 2.067 -7.630 -1.238 1.00 0.00 O ATOM 910 CB LEU A 63 1.538 -4.418 -0.432 1.00 0.00 C ATOM 911 CG LEU A 63 2.696 -3.733 -1.162 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.219 -2.471 -1.883 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.852 -3.442 -0.202 1.00 0.00 C ATOM 0 H LEU A 63 0.199 -6.282 0.669 1.00 0.00 H new ATOM 0 HA LEU A 63 0.316 -5.089 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.787 -3.664 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.911 -4.806 0.516 1.00 0.00 H new ATOM 0 HG LEU A 63 3.073 -4.416 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.061 -2.003 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.454 -2.736 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.802 -1.773 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.662 -2.955 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.505 -2.786 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.213 -4.377 0.227 1.00 0.00 H new ATOM 925 N LEU A 64 2.370 -6.185 -2.951 1.00 0.00 N ATOM 926 CA LEU A 64 3.316 -7.038 -3.650 1.00 0.00 C ATOM 927 C LEU A 64 4.432 -6.176 -4.244 1.00 0.00 C ATOM 928 O LEU A 64 5.607 -6.531 -4.158 1.00 0.00 O ATOM 929 CB LEU A 64 2.594 -7.906 -4.683 1.00 0.00 C ATOM 930 CG LEU A 64 1.977 -9.203 -4.156 1.00 0.00 C ATOM 931 CD1 LEU A 64 3.027 -10.060 -3.443 1.00 0.00 C ATOM 932 CD2 LEU A 64 0.772 -8.912 -3.260 1.00 0.00 C ATOM 0 H LEU A 64 2.171 -5.299 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 64 3.786 -7.734 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.804 -7.310 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.301 -8.158 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 64 1.614 -9.779 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.562 -10.976 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.826 -10.311 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.441 -9.503 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.352 -9.851 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.088 -8.305 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.016 -8.372 -3.831 1.00 0.00 H new ATOM 944 N SER A 65 4.026 -5.061 -4.833 1.00 0.00 N ATOM 945 CA SER A 65 4.978 -4.146 -5.440 1.00 0.00 C ATOM 946 C SER A 65 4.863 -2.765 -4.789 1.00 0.00 C ATOM 947 O SER A 65 3.915 -2.500 -4.052 1.00 0.00 O ATOM 948 CB SER A 65 4.753 -4.043 -6.950 1.00 0.00 C ATOM 949 OG SER A 65 4.587 -2.692 -7.374 1.00 0.00 O ATOM 0 H SER A 65 3.051 -4.770 -4.903 1.00 0.00 H new ATOM 0 HA SER A 65 5.983 -4.535 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.600 -4.486 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.871 -4.621 -7.225 1.00 0.00 H new ATOM 0 HG SER A 65 4.543 -2.659 -8.352 1.00 0.00 H new ATOM 955 N VAL A 66 5.842 -1.924 -5.087 1.00 0.00 N ATOM 956 CA VAL A 66 5.864 -0.578 -4.542 1.00 0.00 C ATOM 957 C VAL A 66 6.006 0.429 -5.684 1.00 0.00 C ATOM 958 O VAL A 66 6.305 0.051 -6.815 1.00 0.00 O ATOM 959 CB VAL A 66 6.975 -0.454 -3.495 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.356 -0.518 -4.152 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.816 0.827 -2.676 1.00 0.00 C ATOM 0 H VAL A 66 6.626 -2.149 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 66 4.927 -0.359 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 66 6.889 -1.300 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.127 -0.428 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.469 -1.470 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.457 0.298 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.618 0.890 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.863 1.691 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.854 0.814 -2.164 1.00 0.00 H new ATOM 971 N ASP A 67 5.785 1.691 -5.349 1.00 0.00 N ATOM 972 CA ASP A 67 5.884 2.756 -6.334 1.00 0.00 C ATOM 973 C ASP A 67 7.349 2.949 -6.723 1.00 0.00 C ATOM 974 O ASP A 67 8.217 3.053 -5.857 1.00 0.00 O ATOM 975 CB ASP A 67 5.365 4.080 -5.767 1.00 0.00 C ATOM 976 CG ASP A 67 5.430 5.265 -6.732 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.209 5.163 -7.704 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.701 6.247 -6.475 1.00 0.00 O ATOM 0 H ASP A 67 5.538 2.001 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 67 5.283 2.474 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.330 3.943 -5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.940 4.326 -4.874 1.00 0.00 H new ATOM 983 N GLY A 68 7.581 2.992 -8.027 1.00 0.00 N ATOM 984 CA GLY A 68 8.929 3.172 -8.540 1.00 0.00 C ATOM 985 C GLY A 68 9.687 1.843 -8.569 1.00 0.00 C ATOM 986 O GLY A 68 10.753 1.745 -9.173 1.00 0.00 O ATOM 0 H GLY A 68 6.859 2.905 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.886 3.592 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.466 3.888 -7.918 1.00 0.00 H new ATOM 990 N ARG A 69 9.106 0.854 -7.904 1.00 0.00 N ATOM 991 CA ARG A 69 9.714 -0.464 -7.845 1.00 0.00 C ATOM 992 C ARG A 69 8.635 -1.540 -7.709 1.00 0.00 C ATOM 993 O ARG A 69 7.983 -1.643 -6.670 1.00 0.00 O ATOM 994 CB ARG A 69 10.684 -0.572 -6.665 1.00 0.00 C ATOM 995 CG ARG A 69 11.694 0.579 -6.681 1.00 0.00 C ATOM 996 CD ARG A 69 12.817 0.332 -5.671 1.00 0.00 C ATOM 997 NE ARG A 69 13.937 -0.382 -6.323 1.00 0.00 N ATOM 998 CZ ARG A 69 14.738 0.161 -7.250 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.547 1.430 -7.638 1.00 0.00 N ATOM 1000 NH2 ARG A 69 15.727 -0.563 -7.788 1.00 0.00 N ATOM 0 H ARG A 69 8.222 0.939 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 69 10.269 -0.615 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.127 -0.559 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.212 -1.525 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.115 0.685 -7.681 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.188 1.516 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.167 1.281 -5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.441 -0.254 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 69 14.110 -1.349 -6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.793 1.981 -7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.156 1.845 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.871 -1.529 -7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.336 -0.149 -8.494 1.00 0.00 H new ATOM 1014 N SER A 70 8.482 -2.317 -8.771 1.00 0.00 N ATOM 1015 CA SER A 70 7.492 -3.382 -8.782 1.00 0.00 C ATOM 1016 C SER A 70 8.041 -4.614 -8.058 1.00 0.00 C ATOM 1017 O SER A 70 8.597 -5.510 -8.690 1.00 0.00 O ATOM 1018 CB SER A 70 7.088 -3.742 -10.214 1.00 0.00 C ATOM 1019 OG SER A 70 6.389 -2.680 -10.855 1.00 0.00 O ATOM 0 H SER A 70 9.026 -2.231 -9.629 1.00 0.00 H new ATOM 0 HA SER A 70 6.602 -3.029 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.979 -3.989 -10.791 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.460 -4.633 -10.200 1.00 0.00 H new ATOM 0 HG SER A 70 6.151 -2.949 -11.767 1.00 0.00 H new ATOM 1025 N LEU A 71 7.865 -4.615 -6.746 1.00 0.00 N ATOM 1026 CA LEU A 71 8.336 -5.723 -5.930 1.00 0.00 C ATOM 1027 C LEU A 71 7.702 -7.023 -6.427 1.00 0.00 C ATOM 1028 O LEU A 71 8.405 -7.992 -6.712 1.00 0.00 O ATOM 1029 CB LEU A 71 8.082 -5.442 -4.449 1.00 0.00 C ATOM 1030 CG LEU A 71 8.484 -4.052 -3.949 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.537 -3.569 -2.851 1.00 0.00 C ATOM 1032 CD2 LEU A 71 9.945 -4.035 -3.495 1.00 0.00 C ATOM 0 H LEU A 71 7.404 -3.868 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 71 9.415 -5.837 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.020 -5.584 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.619 -6.187 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 71 8.396 -3.351 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.845 -2.579 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.521 -3.519 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.568 -4.264 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.205 -3.036 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.083 -4.751 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.589 -4.305 -4.332 1.00 0.00 H new ATOM 1044 N VAL A 72 6.380 -7.002 -6.519 1.00 0.00 N ATOM 1045 CA VAL A 72 5.643 -8.168 -6.977 1.00 0.00 C ATOM 1046 C VAL A 72 5.520 -9.171 -5.829 1.00 0.00 C ATOM 1047 O VAL A 72 4.847 -10.192 -5.962 1.00 0.00 O ATOM 1048 CB VAL A 72 6.316 -8.758 -8.219 1.00 0.00 C ATOM 1049 CG1 VAL A 72 7.039 -7.672 -9.018 1.00 0.00 C ATOM 1050 CG2 VAL A 72 7.275 -9.888 -7.837 1.00 0.00 C ATOM 0 H VAL A 72 5.800 -6.196 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 72 4.632 -7.889 -7.274 1.00 0.00 H new ATOM 0 HB VAL A 72 5.537 -9.179 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.509 -8.117 -9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.322 -6.915 -9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.803 -7.208 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.740 -10.290 -8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.047 -9.501 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.722 -10.679 -7.330 1.00 0.00 H new ATOM 1060 N GLY A 73 6.183 -8.848 -4.728 1.00 0.00 N ATOM 1061 CA GLY A 73 6.156 -9.708 -3.558 1.00 0.00 C ATOM 1062 C GLY A 73 7.502 -9.688 -2.831 1.00 0.00 C ATOM 1063 O GLY A 73 8.037 -10.738 -2.479 1.00 0.00 O ATOM 0 H GLY A 73 6.742 -8.002 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.368 -9.381 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.916 -10.728 -3.858 1.00 0.00 H new ATOM 1067 N LEU A 74 8.010 -8.480 -2.628 1.00 0.00 N ATOM 1068 CA LEU A 74 9.283 -8.308 -1.950 1.00 0.00 C ATOM 1069 C LEU A 74 9.040 -7.723 -0.558 1.00 0.00 C ATOM 1070 O LEU A 74 7.913 -7.358 -0.222 1.00 0.00 O ATOM 1071 CB LEU A 74 10.240 -7.479 -2.808 1.00 0.00 C ATOM 1072 CG LEU A 74 10.358 -7.895 -4.276 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.482 -7.128 -4.973 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.531 -9.409 -4.403 1.00 0.00 C ATOM 0 H LEU A 74 7.562 -7.612 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 74 9.773 -9.272 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.920 -6.438 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.232 -7.524 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 74 9.429 -7.634 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.545 -7.442 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.275 -6.059 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.428 -7.336 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.612 -9.679 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.435 -9.717 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.669 -9.912 -3.965 1.00 0.00 H new ATOM 1086 N SER A 75 10.113 -7.650 0.215 1.00 0.00 N ATOM 1087 CA SER A 75 10.031 -7.115 1.562 1.00 0.00 C ATOM 1088 C SER A 75 9.842 -5.597 1.514 1.00 0.00 C ATOM 1089 O SER A 75 10.310 -4.940 0.583 1.00 0.00 O ATOM 1090 CB SER A 75 11.278 -7.468 2.375 1.00 0.00 C ATOM 1091 OG SER A 75 12.351 -7.902 1.543 1.00 0.00 O ATOM 0 H SER A 75 11.045 -7.953 -0.067 1.00 0.00 H new ATOM 0 HA SER A 75 9.170 -7.567 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.594 -6.598 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.034 -8.253 3.091 1.00 0.00 H new ATOM 0 HG SER A 75 13.129 -8.116 2.098 1.00 0.00 H new ATOM 1097 N GLN A 76 9.156 -5.083 2.524 1.00 0.00 N ATOM 1098 CA GLN A 76 8.901 -3.655 2.605 1.00 0.00 C ATOM 1099 C GLN A 76 10.213 -2.891 2.796 1.00 0.00 C ATOM 1100 O GLN A 76 10.248 -1.670 2.664 1.00 0.00 O ATOM 1101 CB GLN A 76 7.913 -3.338 3.730 1.00 0.00 C ATOM 1102 CG GLN A 76 8.648 -3.053 5.041 1.00 0.00 C ATOM 1103 CD GLN A 76 9.513 -4.244 5.457 1.00 0.00 C ATOM 1104 OE1 GLN A 76 9.314 -5.368 5.027 1.00 0.00 O ATOM 1105 NE2 GLN A 76 10.481 -3.936 6.314 1.00 0.00 N ATOM 0 H GLN A 76 8.769 -5.630 3.293 1.00 0.00 H new ATOM 0 HA GLN A 76 8.449 -3.332 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.307 -2.475 3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.230 -4.177 3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.274 -2.168 4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.925 -2.833 5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.592 -2.974 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.113 -4.662 6.652 1.00 0.00 H new ATOM 1114 N GLU A 77 11.258 -3.644 3.107 1.00 0.00 N ATOM 1115 CA GLU A 77 12.569 -3.052 3.318 1.00 0.00 C ATOM 1116 C GLU A 77 12.847 -1.986 2.258 1.00 0.00 C ATOM 1117 O GLU A 77 12.702 -0.792 2.518 1.00 0.00 O ATOM 1118 CB GLU A 77 13.660 -4.124 3.320 1.00 0.00 C ATOM 1119 CG GLU A 77 13.393 -5.177 4.397 1.00 0.00 C ATOM 1120 CD GLU A 77 14.521 -5.201 5.431 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.489 -5.956 5.198 1.00 0.00 O ATOM 1122 OE2 GLU A 77 14.390 -4.461 6.430 1.00 0.00 O ATOM 0 H GLU A 77 11.224 -4.657 3.218 1.00 0.00 H new ATOM 0 HA GLU A 77 12.577 -2.572 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.706 -4.603 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.631 -3.660 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.445 -4.964 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.298 -6.159 3.935 1.00 0.00 H new ATOM 1129 N ARG A 78 13.242 -2.456 1.083 1.00 0.00 N ATOM 1130 CA ARG A 78 13.542 -1.558 -0.019 1.00 0.00 C ATOM 1131 C ARG A 78 12.444 -0.502 -0.160 1.00 0.00 C ATOM 1132 O ARG A 78 12.685 0.685 0.057 1.00 0.00 O ATOM 1133 CB ARG A 78 13.673 -2.325 -1.336 1.00 0.00 C ATOM 1134 CG ARG A 78 14.867 -3.282 -1.297 1.00 0.00 C ATOM 1135 CD ARG A 78 14.403 -4.737 -1.230 1.00 0.00 C ATOM 1136 NE ARG A 78 15.462 -5.631 -1.749 1.00 0.00 N ATOM 1137 CZ ARG A 78 16.607 -5.894 -1.102 1.00 0.00 C ATOM 1138 NH1 ARG A 78 16.844 -5.333 0.092 1.00 0.00 N ATOM 1139 NH2 ARG A 78 17.510 -6.717 -1.647 1.00 0.00 N ATOM 0 H ARG A 78 13.361 -3.447 0.871 1.00 0.00 H new ATOM 0 HA ARG A 78 14.492 -1.072 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.758 -2.887 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.793 -1.622 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.485 -3.134 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.491 -3.056 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.163 -5.004 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.491 -4.864 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 78 15.312 -6.075 -2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.154 -4.707 0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.714 -5.532 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.328 -7.145 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.381 -6.917 -1.155 1.00 0.00 H new ATOM 1153 N ALA A 79 11.257 -0.974 -0.520 1.00 0.00 N ATOM 1154 CA ALA A 79 10.121 -0.085 -0.691 1.00 0.00 C ATOM 1155 C ALA A 79 10.062 0.893 0.484 1.00 0.00 C ATOM 1156 O ALA A 79 10.600 1.997 0.404 1.00 0.00 O ATOM 1157 CB ALA A 79 8.841 -0.912 -0.824 1.00 0.00 C ATOM 0 H ALA A 79 11.059 -1.959 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 79 10.228 0.501 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.989 -0.245 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.921 -1.569 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.700 -1.512 0.075 1.00 0.00 H new ATOM 1163 N ALA A 80 9.404 0.453 1.546 1.00 0.00 N ATOM 1164 CA ALA A 80 9.267 1.276 2.736 1.00 0.00 C ATOM 1165 C ALA A 80 9.939 2.630 2.495 1.00 0.00 C ATOM 1166 O ALA A 80 9.279 3.595 2.109 1.00 0.00 O ATOM 1167 CB ALA A 80 9.858 0.538 3.938 1.00 0.00 C ATOM 0 H ALA A 80 8.960 -0.463 1.608 1.00 0.00 H new ATOM 0 HA ALA A 80 8.216 1.464 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.755 1.155 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.327 -0.403 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.913 0.335 3.757 1.00 0.00 H new ATOM 1173 N GLU A 81 11.241 2.657 2.729 1.00 0.00 N ATOM 1174 CA GLU A 81 12.011 3.877 2.543 1.00 0.00 C ATOM 1175 C GLU A 81 11.641 4.538 1.212 1.00 0.00 C ATOM 1176 O GLU A 81 11.080 5.632 1.194 1.00 0.00 O ATOM 1177 CB GLU A 81 13.512 3.595 2.616 1.00 0.00 C ATOM 1178 CG GLU A 81 14.322 4.867 2.353 1.00 0.00 C ATOM 1179 CD GLU A 81 15.695 4.790 3.022 1.00 0.00 C ATOM 1180 OE1 GLU A 81 16.448 3.856 2.671 1.00 0.00 O ATOM 1181 OE2 GLU A 81 15.963 5.668 3.872 1.00 0.00 O ATOM 0 H GLU A 81 11.784 1.854 3.046 1.00 0.00 H new ATOM 0 HA GLU A 81 11.765 4.566 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.763 3.196 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.778 2.832 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.444 5.009 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.778 5.733 2.729 1.00 0.00 H new ATOM 1188 N LEU A 82 11.969 3.846 0.133 1.00 0.00 N ATOM 1189 CA LEU A 82 11.680 4.352 -1.199 1.00 0.00 C ATOM 1190 C LEU A 82 10.171 4.289 -1.446 1.00 0.00 C ATOM 1191 O LEU A 82 9.715 4.468 -2.574 1.00 0.00 O ATOM 1192 CB LEU A 82 12.507 3.605 -2.247 1.00 0.00 C ATOM 1193 CG LEU A 82 12.871 4.401 -3.502 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.724 5.319 -3.925 1.00 0.00 C ATOM 1195 CD2 LEU A 82 14.179 5.170 -3.305 1.00 0.00 C ATOM 0 H LEU A 82 12.433 2.938 0.152 1.00 0.00 H new ATOM 0 HA LEU A 82 11.974 5.398 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.429 3.262 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.955 2.716 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 82 13.032 3.695 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.011 5.872 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.838 4.720 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.503 6.020 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.414 5.727 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.071 5.864 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.985 4.468 -3.091 1.00 0.00 H new ATOM 1207 N MET A 83 9.438 4.033 -0.373 1.00 0.00 N ATOM 1208 CA MET A 83 7.991 3.943 -0.459 1.00 0.00 C ATOM 1209 C MET A 83 7.323 5.022 0.396 1.00 0.00 C ATOM 1210 O MET A 83 6.150 5.337 0.200 1.00 0.00 O ATOM 1211 CB MET A 83 7.535 2.562 0.016 1.00 0.00 C ATOM 1212 CG MET A 83 6.059 2.329 -0.314 1.00 0.00 C ATOM 1213 SD MET A 83 5.619 0.633 0.021 1.00 0.00 S ATOM 1214 CE MET A 83 5.355 0.722 1.785 1.00 0.00 C ATOM 0 H MET A 83 9.820 3.885 0.561 1.00 0.00 H new ATOM 0 HA MET A 83 7.698 4.095 -1.498 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.143 1.791 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.689 2.474 1.091 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.435 2.999 0.278 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.871 2.562 -1.362 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.580 -0.245 2.236 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.008 1.482 2.213 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.316 0.983 1.985 1.00 0.00 H new ATOM 1224 N THR A 84 8.099 5.557 1.327 1.00 0.00 N ATOM 1225 CA THR A 84 7.597 6.594 2.214 1.00 0.00 C ATOM 1226 C THR A 84 7.793 7.974 1.586 1.00 0.00 C ATOM 1227 O THR A 84 6.844 8.749 1.471 1.00 0.00 O ATOM 1228 CB THR A 84 8.294 6.437 3.567 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.415 5.027 3.735 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.410 6.877 4.736 1.00 0.00 C ATOM 0 H THR A 84 9.071 5.292 1.487 1.00 0.00 H new ATOM 0 HA THR A 84 6.523 6.494 2.372 1.00 0.00 H new ATOM 0 HB THR A 84 9.215 7.019 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.157 4.695 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.952 6.745 5.672 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.144 7.927 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.503 6.273 4.754 1.00 0.00 H new ATOM 1238 N ARG A 85 9.030 8.240 1.194 1.00 0.00 N ATOM 1239 CA ARG A 85 9.365 9.514 0.579 1.00 0.00 C ATOM 1240 C ARG A 85 8.663 9.649 -0.775 1.00 0.00 C ATOM 1241 O ARG A 85 9.319 9.804 -1.805 1.00 0.00 O ATOM 1242 CB ARG A 85 10.875 9.651 0.381 1.00 0.00 C ATOM 1243 CG ARG A 85 11.318 11.108 0.527 1.00 0.00 C ATOM 1244 CD ARG A 85 12.722 11.315 -0.042 1.00 0.00 C ATOM 1245 NE ARG A 85 12.665 12.203 -1.224 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.711 12.463 -2.021 1.00 0.00 C ATOM 1247 NH1 ARG A 85 14.901 11.903 -1.769 1.00 0.00 N ATOM 1248 NH2 ARG A 85 13.564 13.282 -3.072 1.00 0.00 N ATOM 0 H ARG A 85 9.814 7.594 1.290 1.00 0.00 H new ATOM 0 HA ARG A 85 9.027 10.305 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.398 9.033 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.151 9.281 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.613 11.759 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.303 11.392 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.371 11.750 0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.156 10.354 -0.320 1.00 0.00 H new ATOM 0 HE ARG A 85 11.773 12.645 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.012 11.278 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.697 12.101 -2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.657 13.707 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.359 13.480 -3.679 1.00 0.00 H new ATOM 1262 N THR A 86 7.341 9.587 -0.730 1.00 0.00 N ATOM 1263 CA THR A 86 6.546 9.700 -1.939 1.00 0.00 C ATOM 1264 C THR A 86 6.300 11.172 -2.281 1.00 0.00 C ATOM 1265 O THR A 86 6.641 11.625 -3.371 1.00 0.00 O ATOM 1266 CB THR A 86 5.257 8.902 -1.734 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.454 7.719 -2.504 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.043 9.571 -2.384 1.00 0.00 C ATOM 0 H THR A 86 6.801 9.460 0.126 1.00 0.00 H new ATOM 0 HA THR A 86 7.072 9.282 -2.797 1.00 0.00 H new ATOM 0 HB THR A 86 5.075 8.777 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.932 7.776 -3.331 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.155 8.963 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.897 10.560 -1.950 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.211 9.666 -3.457 1.00 0.00 H new ATOM 1276 N SER A 87 5.714 11.878 -1.326 1.00 0.00 N ATOM 1277 CA SER A 87 5.418 13.288 -1.512 1.00 0.00 C ATOM 1278 C SER A 87 4.360 13.465 -2.602 1.00 0.00 C ATOM 1279 O SER A 87 3.290 14.017 -2.352 1.00 0.00 O ATOM 1280 CB SER A 87 6.683 14.072 -1.870 1.00 0.00 C ATOM 1281 OG SER A 87 7.685 13.957 -0.863 1.00 0.00 O ATOM 0 H SER A 87 5.436 11.500 -0.420 1.00 0.00 H new ATOM 0 HA SER A 87 5.030 13.681 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.079 13.708 -2.818 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.430 15.123 -2.012 1.00 0.00 H new ATOM 0 HG SER A 87 8.477 14.470 -1.129 1.00 0.00 H new ATOM 1287 N SER A 88 4.694 12.980 -3.789 1.00 0.00 N ATOM 1288 CA SER A 88 3.786 13.076 -4.920 1.00 0.00 C ATOM 1289 C SER A 88 2.628 12.091 -4.744 1.00 0.00 C ATOM 1290 O SER A 88 1.543 12.474 -4.308 1.00 0.00 O ATOM 1291 CB SER A 88 4.514 12.808 -6.237 1.00 0.00 C ATOM 1292 OG SER A 88 5.154 13.978 -6.741 1.00 0.00 O ATOM 0 H SER A 88 5.581 12.519 -3.992 1.00 0.00 H new ATOM 0 HA SER A 88 3.391 14.091 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.257 12.024 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.803 12.437 -6.975 1.00 0.00 H new ATOM 0 HG SER A 88 5.609 13.765 -7.582 1.00 0.00 H new ATOM 1298 N VAL A 89 2.896 10.842 -5.095 1.00 0.00 N ATOM 1299 CA VAL A 89 1.890 9.801 -4.980 1.00 0.00 C ATOM 1300 C VAL A 89 2.566 8.486 -4.589 1.00 0.00 C ATOM 1301 O VAL A 89 3.751 8.290 -4.852 1.00 0.00 O ATOM 1302 CB VAL A 89 1.095 9.697 -6.285 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.001 9.291 -7.449 1.00 0.00 C ATOM 1304 CG2 VAL A 89 -0.076 8.725 -6.137 1.00 0.00 C ATOM 0 H VAL A 89 3.795 10.528 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 89 1.175 10.046 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 89 0.686 10.683 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.411 9.225 -8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.785 10.037 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.453 8.322 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.624 8.670 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.302 7.736 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.742 9.076 -5.349 1.00 0.00 H new ATOM 1314 N VAL A 90 1.783 7.618 -3.964 1.00 0.00 N ATOM 1315 CA VAL A 90 2.291 6.328 -3.530 1.00 0.00 C ATOM 1316 C VAL A 90 1.577 5.218 -4.303 1.00 0.00 C ATOM 1317 O VAL A 90 0.514 4.753 -3.890 1.00 0.00 O ATOM 1318 CB VAL A 90 2.145 6.190 -2.013 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.497 6.342 -1.316 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.129 7.196 -1.466 1.00 0.00 C ATOM 0 H VAL A 90 0.800 7.783 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 90 3.356 6.244 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 90 1.771 5.188 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.365 6.240 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.179 5.570 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.913 7.325 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.044 7.077 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.461 8.209 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.158 7.020 -1.928 1.00 0.00 H new ATOM 1330 N THR A 91 2.185 4.826 -5.412 1.00 0.00 N ATOM 1331 CA THR A 91 1.620 3.780 -6.247 1.00 0.00 C ATOM 1332 C THR A 91 2.218 2.422 -5.876 1.00 0.00 C ATOM 1333 O THR A 91 3.388 2.156 -6.153 1.00 0.00 O ATOM 1334 CB THR A 91 1.851 4.167 -7.709 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.182 4.670 -7.730 1.00 0.00 O ATOM 1336 CG2 THR A 91 0.994 5.359 -8.143 1.00 0.00 C ATOM 0 H THR A 91 3.065 5.214 -5.752 1.00 0.00 H new ATOM 0 HA THR A 91 0.546 3.682 -6.087 1.00 0.00 H new ATOM 0 HB THR A 91 1.633 3.312 -8.348 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.414 4.943 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.197 5.592 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.061 5.111 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.235 6.224 -7.525 1.00 0.00 H new ATOM 1344 N LEU A 92 1.388 1.595 -5.256 1.00 0.00 N ATOM 1345 CA LEU A 92 1.820 0.271 -4.844 1.00 0.00 C ATOM 1346 C LEU A 92 0.811 -0.766 -5.340 1.00 0.00 C ATOM 1347 O LEU A 92 -0.347 -0.439 -5.596 1.00 0.00 O ATOM 1348 CB LEU A 92 2.052 0.228 -3.332 1.00 0.00 C ATOM 1349 CG LEU A 92 1.887 1.556 -2.590 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.728 1.328 -1.087 1.00 0.00 C ATOM 1351 CD2 LEU A 92 3.044 2.507 -2.907 1.00 0.00 C ATOM 0 H LEU A 92 0.419 1.817 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 92 2.781 0.026 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.361 -0.496 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.060 -0.145 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 92 0.972 2.033 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.613 2.288 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.847 0.714 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.611 0.820 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.903 3.444 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.985 2.050 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.069 2.706 -3.978 1.00 0.00 H new ATOM 1363 N GLU A 93 1.286 -1.997 -5.462 1.00 0.00 N ATOM 1364 CA GLU A 93 0.441 -3.085 -5.921 1.00 0.00 C ATOM 1365 C GLU A 93 -0.169 -3.826 -4.730 1.00 0.00 C ATOM 1366 O GLU A 93 0.536 -4.516 -3.997 1.00 0.00 O ATOM 1367 CB GLU A 93 1.223 -4.044 -6.822 1.00 0.00 C ATOM 1368 CG GLU A 93 0.418 -4.398 -8.074 1.00 0.00 C ATOM 1369 CD GLU A 93 0.432 -5.907 -8.327 1.00 0.00 C ATOM 1370 OE1 GLU A 93 0.291 -6.650 -7.333 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.585 -6.282 -9.509 1.00 0.00 O ATOM 0 H GLU A 93 2.247 -2.265 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.371 -2.662 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.170 -3.587 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.463 -4.953 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.610 -4.055 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.833 -3.877 -8.937 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.474 -3.657 -4.574 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.186 -4.301 -3.483 1.00 0.00 C ATOM 1380 C VAL A 94 -3.217 -5.274 -4.058 1.00 0.00 C ATOM 1381 O VAL A 94 -3.549 -5.206 -5.240 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.807 -3.245 -2.567 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.724 -2.483 -1.796 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.692 -2.283 -3.361 1.00 0.00 C ATOM 0 H VAL A 94 -2.056 -3.084 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.498 -4.881 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.437 -3.759 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.192 -1.738 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.152 -3.182 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.057 -1.986 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.121 -1.542 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.093 -1.779 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.494 -2.841 -3.844 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.695 -6.157 -3.193 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.683 -7.143 -3.600 1.00 0.00 C ATOM 1396 C ALA A 95 -5.709 -7.323 -2.478 1.00 0.00 C ATOM 1397 O ALA A 95 -5.343 -7.574 -1.331 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.980 -8.452 -3.962 1.00 0.00 C ATOM 0 H ALA A 95 -3.417 -6.210 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.219 -6.805 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.721 -9.191 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.284 -8.276 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.433 -8.823 -3.095 1.00 0.00 H new ATOM 1404 N LYS A 96 -6.973 -7.189 -2.850 1.00 0.00 N ATOM 1405 CA LYS A 96 -8.055 -7.333 -1.890 1.00 0.00 C ATOM 1406 C LYS A 96 -8.085 -8.774 -1.376 1.00 0.00 C ATOM 1407 O LYS A 96 -8.727 -9.637 -1.973 1.00 0.00 O ATOM 1408 CB LYS A 96 -9.380 -6.872 -2.502 1.00 0.00 C ATOM 1409 CG LYS A 96 -9.884 -5.599 -1.820 1.00 0.00 C ATOM 1410 CD LYS A 96 -10.755 -5.933 -0.607 1.00 0.00 C ATOM 1411 CE LYS A 96 -11.544 -4.709 -0.143 1.00 0.00 C ATOM 1412 NZ LYS A 96 -12.893 -5.104 0.319 1.00 0.00 N ATOM 0 H LYS A 96 -7.273 -6.982 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.887 -6.688 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.248 -6.690 -3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.125 -7.662 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.036 -4.990 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.458 -5.004 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.444 -6.739 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.127 -6.295 0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.009 -4.209 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.629 -3.993 -0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.414 -4.260 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.407 -5.560 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.807 -5.770 1.113 1.00 0.00 H new ATOM 1426 N GLN A 97 -7.383 -8.989 -0.273 1.00 0.00 N ATOM 1427 CA GLN A 97 -7.320 -10.310 0.328 1.00 0.00 C ATOM 1428 C GLN A 97 -6.442 -10.281 1.581 1.00 0.00 C ATOM 1429 O GLN A 97 -5.233 -10.067 1.492 1.00 0.00 O ATOM 1430 CB GLN A 97 -6.810 -11.346 -0.675 1.00 0.00 C ATOM 1431 CG GLN A 97 -7.945 -12.255 -1.151 1.00 0.00 C ATOM 1432 CD GLN A 97 -7.477 -13.707 -1.256 1.00 0.00 C ATOM 1433 OE1 GLN A 97 -7.005 -14.161 -2.286 1.00 0.00 O ATOM 1434 NE2 GLN A 97 -7.634 -14.410 -0.138 1.00 0.00 N ATOM 0 H GLN A 97 -6.853 -8.270 0.220 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.328 -10.603 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.362 -10.840 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.026 -11.948 -0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.784 -12.189 -0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.306 -11.914 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.036 -13.969 0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.353 -15.390 -0.108 1.00 0.00 H new ATOM 1443 N GLY A 98 -7.084 -10.501 2.720 1.00 0.00 N ATOM 1444 CA GLY A 98 -6.376 -10.503 3.988 1.00 0.00 C ATOM 1445 C GLY A 98 -7.178 -9.768 5.066 1.00 0.00 C ATOM 1446 O GLY A 98 -8.188 -9.133 4.766 1.00 0.00 O ATOM 0 H GLY A 98 -8.086 -10.679 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.191 -11.530 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.403 -10.027 3.866 1.00 0.00 H new ATOM 1450 N ALA A 99 -6.697 -9.879 6.294 1.00 0.00 N ATOM 1451 CA ALA A 99 -7.357 -9.232 7.417 1.00 0.00 C ATOM 1452 C ALA A 99 -6.515 -9.428 8.679 1.00 0.00 C ATOM 1453 O ALA A 99 -5.917 -10.486 8.872 1.00 0.00 O ATOM 1454 CB ALA A 99 -8.774 -9.791 7.567 1.00 0.00 C ATOM 0 H ALA A 99 -5.859 -10.407 6.538 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.447 -8.159 7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.269 -9.306 8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.339 -9.600 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.724 -10.865 7.745 1.00 0.00 H new ATOM 1460 N ILE A 100 -6.495 -8.395 9.506 1.00 0.00 N ATOM 1461 CA ILE A 100 -5.738 -8.439 10.744 1.00 0.00 C ATOM 1462 C ILE A 100 -6.649 -8.053 11.912 1.00 0.00 C ATOM 1463 O ILE A 100 -7.805 -7.684 11.704 1.00 0.00 O ATOM 1464 CB ILE A 100 -4.480 -7.575 10.635 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -4.834 -6.087 10.637 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -3.652 -7.964 9.409 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -5.301 -5.632 9.254 1.00 0.00 C ATOM 0 H ILE A 100 -6.993 -7.520 9.342 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.386 -9.452 10.937 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.862 -7.760 11.514 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.618 -5.897 11.370 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.965 -5.503 10.941 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.764 -7.335 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.352 -9.009 9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.249 -7.826 8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.546 -4.570 9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.506 -5.800 8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.184 -6.200 8.963 1.00 0.00 H new ATOM 1479 N TYR A 101 -6.097 -8.149 13.110 1.00 0.00 N ATOM 1480 CA TYR A 101 -6.845 -7.814 14.310 1.00 0.00 C ATOM 1481 C TYR A 101 -7.410 -6.394 14.224 1.00 0.00 C ATOM 1482 O TYR A 101 -6.669 -5.441 13.990 1.00 0.00 O ATOM 1483 CB TYR A 101 -5.846 -7.884 15.465 1.00 0.00 C ATOM 1484 CG TYR A 101 -6.281 -7.115 16.713 1.00 0.00 C ATOM 1485 CD1 TYR A 101 -7.486 -7.411 17.320 1.00 0.00 C ATOM 1486 CD2 TYR A 101 -5.472 -6.127 17.233 1.00 0.00 C ATOM 1487 CE1 TYR A 101 -7.898 -6.687 18.495 1.00 0.00 C ATOM 1488 CE2 TYR A 101 -5.884 -5.403 18.408 1.00 0.00 C ATOM 1489 CZ TYR A 101 -7.075 -5.718 18.981 1.00 0.00 C ATOM 1490 OH TYR A 101 -7.464 -5.036 20.091 1.00 0.00 O ATOM 0 H TYR A 101 -5.138 -8.455 13.277 1.00 0.00 H new ATOM 0 HA TYR A 101 -7.684 -8.498 14.443 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.688 -8.929 15.732 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.887 -7.493 15.126 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -8.119 -8.186 16.913 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.529 -5.896 16.759 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.838 -6.908 18.979 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.260 -4.626 18.825 1.00 0.00 H new ATOM 0 HH TYR A 101 -6.779 -4.376 20.326 1.00 0.00 H new TER 1500 TYR A 101